1 83333834340 1 3 1000.0000 7 0 0 s 2 p 3 p 0 f 0 h 0 k 0 s 0 d 0 cliii s2p3 e= -100978.07458 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 cliii s2p2 4p e= -100784.53750 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 cliii s2p2 5p e= -100732.00778 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 cliii s2p2 6p e= -100709.07691 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 cliii s2p2 7p e= -100696.82179 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 cliii s2p2 8p e= -100689.48180 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 cliii s2p2 9p e= -100684.73340 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 cliii s2p2 4f e= -100733.02972 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 cliii s2p2 5f e= -100709.78918 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 cliii s2p2 6f e= -100697.28622 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 cliii s2p2 7f e= -100689.79273 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 cliii s2p2 8f e= -100684.95034 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 cliii s2p2 9f e= -100681.63988 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 cliii s2p2 6h e= -100696.73621 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 cliii s2p2 7h e= -100689.45763 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 cliii s2p2 8h e= -100684.72981 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 cliii s2p2 9h e= -100681.48652 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 cliii s2p2 8k e= -100684.71055 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 cliii s2p2 9k e= -100681.47195 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 cliii sp3 4s e= -100696.50436 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 cliii sp3 5s e= -100627.00611 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 cliii sp3 6s e= -100598.57225 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 cliii sp3 7s e= -100583.98216 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 cliii sp3 8s e= -100575.47903 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 cliii sp3 9s e= -100570.08696 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 cliii sp3 3d e= -100713.98871 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 cliii sp3 4d e= -100631.47890 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 cliii sp3 5d e= -100600.51961 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 cliii sp3 6d e= -100585.04091 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 cliii sp3 7d e= -100576.12213 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 cliii sp3 8d e= -100570.50793 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 cliii sp3 9d e= -100566.74276 s 0 p 5 p 0 f 0 h 0 k 0 s 0 d 0 cliii p5 e= -100712.05836 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 cliii s2p2 4s e= -100812.96423 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 cliii s2p2 5s e= -100743.06766 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 cliii s2p2 6s e= -100714.54899 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 cliii s2p2 7s e= -100699.93027 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 cliii s2p2 8s e= -100691.41529 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 cliii s2p2 9s e= -100686.01737 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 cliii s2p2 3d e= -100825.47224 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 cliii s2p2 4d e= -100746.65846 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 cliii s2p2 5d e= -100716.14831 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 cliii s2p2 6d e= -100700.81011 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 cliii s2p2 7d e= -100691.95298 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 cliii s2p2 8d e= -100686.37051 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 cliii s2p2 9d e= -100682.62353 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 cliii s2p2 5g e= -100709.02309 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 cliii s2p2 6g e= -100696.88594 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 cliii s2p2 7g e= -100689.55252 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 cliii s2p2 8g e= -100684.79312 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 cliii s2p2 9g e= -100681.53056 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 cliii s2p2 7i e= -100689.43620 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 cliii s2p2 8i e= -100684.71250 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 cliii s2p2 9i e= -100681.47350 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 0 cliii sp4 e= -100857.81729 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 cliii sp3 4p e= -100669.50557 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 cliii sp3 5p e= -100616.39857 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 cliii sp3 6p e= -100593.30700 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 cliii sp3 7p e= -100580.98644 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 cliii sp3 8p e= -100573.61432 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 cliii sp3 9p e= -100568.84822 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 cliii sp3 4f e= -100617.27774 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 cliii sp3 5f e= -100593.95635 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 cliii sp3 6f e= -100581.41745 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 cliii sp3 7f e= -100573.90587 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 cliii sp3 8f e= -100569.05299 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 cliii sp3 9f e= -100565.73602 liii s2p3 cliii s2p3 -3.31822( 3p//r2// 3p) liii s2p3 cliii s2p2 4p 2.35376( 3p//r2// 4p) liii s2p3 cliii s2p2 5p 0.85903( 3p//r2// 5p) liii s2p3 cliii s2p2 6p 0.48839( 3p//r2// 6p) liii s2p3 cliii s2p2 7p 0.32974( 3p//r2// 7p) liii s2p3 cliii s2p2 8p 0.24380( 3p//r2// 8p) liii s2p3 cliii s2p2 9p 0.19062( 3p//r2// 9p) liii s2p3 cliii s2p2 4f -2.83438( 3p//r2// 4f) liii s2p3 cliii s2p2 5f -1.93054( 3p//r2// 5f) liii s2p3 cliii s2p2 6f -1.38167( 3p//r2// 6f) liii s2p3 cliii s2p2 7f -1.04472( 3p//r2// 7f) liii s2p3 cliii s2p2 8f -0.82444( 3p//r2// 8f) liii s2p3 cliii s2p2 9f -0.67208( 3p//r2// 9f) liii s2p3 cliii s2p2 6h 0.00000( //r2// ) liii s2p3 cliii s2p2 7h 0.00000( //r2// ) liii s2p3 cliii s2p2 8h 0.00000( //r2// ) liii s2p3 cliii s2p2 9h 0.00000( //r2// ) liii s2p3 cliii s2p2 8k 0.00000( //r2// ) liii s2p3 cliii s2p2 9k 0.00000( //r2// ) liii s2p3 cliii sp3 4s 0.00000( //r2// ) liii s2p3 cliii sp3 5s 0.00000( //r2// ) liii s2p3 cliii sp3 6s 0.00000( //r2// ) liii s2p3 cliii sp3 7s 0.00000( //r2// ) liii s2p3 cliii sp3 8s 0.00000( //r2// ) liii s2p3 cliii sp3 9s 0.00000( //r2// ) liii s2p3 cliii sp3 3d 2.88882( 3s//r2// 3d) liii s2p3 cliii sp3 4d -0.09783( 3s//r2// 4d) liii s2p3 cliii sp3 5d -0.17017( 3s//r2// 5d) liii s2p3 cliii sp3 6d -0.14825( 3s//r2// 6d) liii s2p3 cliii sp3 7d -0.12263( 3s//r2// 7d) liii s2p3 cliii sp3 8d -0.10187( 3s//r2// 8d) liii s2p3 cliii sp3 9d -0.08579( 3s//r2// 9d) liii s2p3 cliii p5 0.00000( //r2// ) liii s2p2 4p cliii s2p3 2.35376( 4p//r2// 3p) liii s2p2 4p cliii s2p2 4p -21.04998( 4p//r2// 4p) liii s2p2 4p cliii s2p2 5p 13.04774( 4p//r2// 5p) liii s2p2 4p cliii s2p2 6p 3.88603( 4p//r2// 6p) liii s2p2 4p cliii s2p2 7p 2.04961( 4p//r2// 7p) liii s2p2 4p cliii s2p2 8p 1.33729( 4p//r2// 8p) liii s2p2 4p cliii s2p2 9p 0.97195( 4p//r2// 9p) liii s2p2 4p cliii s2p2 4f 30.34617( 4p//r2// 4f) liii s2p2 4p cliii s2p2 5f 0.06310( 4p//r2// 5f) liii s2p2 4p cliii s2p2 6f -1.93124( 4p//r2// 6f) liii s2p2 4p cliii s2p2 7f -1.91296( 4p//r2// 7f) liii s2p2 4p cliii s2p2 8f -1.66528( 4p//r2// 8f) liii s2p2 4p cliii s2p2 9f -1.42571( 4p//r2// 9f) liii s2p2 4p cliii s2p2 6h 0.00000( //r2// ) liii s2p2 4p cliii s2p2 7h 0.00000( //r2// ) liii s2p2 4p cliii s2p2 8h 0.00000( //r2// ) liii s2p2 4p cliii s2p2 9h 0.00000( //r2// ) liii s2p2 4p cliii s2p2 8k 0.00000( //r2// ) liii s2p2 4p cliii s2p2 9k 0.00000( //r2// ) liii s2p2 4p cliii sp3 4s 0.00000( //r2// ) liii s2p2 4p cliii sp3 5s 0.00000( //r2// ) liii s2p2 4p cliii sp3 6s 0.00000( //r2// ) liii s2p2 4p cliii sp3 7s 0.00000( //r2// ) liii s2p2 4p cliii sp3 8s 0.00000( //r2// ) liii s2p2 4p cliii sp3 9s 0.00000( //r2// ) liii s2p2 4p cliii sp3 3d 0.00000( //r2// ) liii s2p2 4p cliii sp3 4d 0.00000( //r2// ) liii s2p2 4p cliii sp3 5d 0.00000( //r2// ) liii s2p2 4p cliii sp3 6d 0.00000( //r2// ) liii s2p2 4p cliii sp3 7d 0.00000( //r2// ) liii s2p2 4p cliii sp3 8d 0.00000( //r2// ) liii s2p2 4p cliii sp3 9d 0.00000( //r2// ) liii s2p2 4p cliii p5 0.00000( //r2// ) liii s2p2 5p cliii s2p3 0.85903( 5p//r2// 3p) liii s2p2 5p cliii s2p2 4p 13.04774( 5p//r2// 4p) liii s2p2 5p cliii s2p2 5p -71.30393( 5p//r2// 5p) liii s2p2 5p cliii s2p2 6p 39.16096( 5p//r2// 6p) liii s2p2 5p cliii s2p2 7p 10.83189( 5p//r2// 7p) liii s2p2 5p cliii s2p2 8p 5.47460( 5p//r2// 8p) liii s2p2 5p cliii s2p2 9p 3.47986( 5p//r2// 9p) liii s2p2 5p cliii s2p2 4f -51.79188( 5p//r2// 4f) liii s2p2 5p cliii s2p2 5f 87.73594( 5p//r2// 5f) liii s2p2 5p cliii s2p2 6f 8.20764( 5p//r2// 6f) liii s2p2 5p cliii s2p2 7f 0.18545( 5p//r2// 7f) liii s2p2 5p cliii s2p2 8f -1.32118( 5p//r2// 8f) liii s2p2 5p cliii s2p2 9f -1.59298( 5p//r2// 9f) liii s2p2 5p cliii s2p2 6h 0.00000( //r2// ) liii s2p2 5p cliii s2p2 7h 0.00000( //r2// ) liii s2p2 5p cliii s2p2 8h 0.00000( //r2// ) liii s2p2 5p cliii s2p2 9h 0.00000( //r2// ) liii s2p2 5p cliii s2p2 8k 0.00000( //r2// ) liii s2p2 5p cliii s2p2 9k 0.00000( //r2// ) liii s2p2 5p cliii sp3 4s 0.00000( //r2// ) liii s2p2 5p cliii sp3 5s 0.00000( //r2// ) liii s2p2 5p cliii sp3 6s 0.00000( //r2// ) liii s2p2 5p cliii sp3 7s 0.00000( //r2// ) liii s2p2 5p cliii sp3 8s 0.00000( //r2// ) liii s2p2 5p cliii sp3 9s 0.00000( //r2// ) liii s2p2 5p cliii sp3 3d 0.00000( //r2// ) liii s2p2 5p cliii sp3 4d 0.00000( //r2// ) liii s2p2 5p cliii sp3 5d 0.00000( //r2// ) liii s2p2 5p cliii sp3 6d 0.00000( //r2// ) liii s2p2 5p cliii sp3 7d 0.00000( //r2// ) liii s2p2 5p cliii sp3 8d 0.00000( //r2// ) liii s2p2 5p cliii sp3 9d 0.00000( //r2// ) liii s2p2 5p cliii p5 0.00000( //r2// ) liii s2p2 6p cliii s2p3 0.48839( 6p//r2// 3p) liii s2p2 6p cliii s2p2 4p 3.88603( 6p//r2// 4p) liii s2p2 6p cliii s2p2 5p 39.16096( 6p//r2// 5p) liii s2p2 6p cliii s2p2 6p -179.28882( 6p//r2// 6p) liii s2p2 6p cliii s2p2 7p 90.84831( 6p//r2// 7p) liii s2p2 6p cliii s2p2 8p 23.99797( 6p//r2// 8p) liii s2p2 6p cliii s2p2 9p 11.76944( 6p//r2// 9p) liii s2p2 6p cliii s2p2 4f 12.07201( 6p//r2// 4f) liii s2p2 6p cliii s2p2 5f -159.08674( 6p//r2// 5f) liii s2p2 6p cliii s2p2 6f 195.88098( 6p//r2// 6f) liii s2p2 6p cliii s2p2 7f 24.86239( 6p//r2// 7f) liii s2p2 6p cliii s2p2 8f 5.59103( 6p//r2// 8f) liii s2p2 6p cliii s2p2 9f 1.00500( 6p//r2// 9f) liii s2p2 6p cliii s2p2 6h 0.00000( //r2// ) liii s2p2 6p cliii s2p2 7h 0.00000( //r2// ) liii s2p2 6p cliii s2p2 8h 0.00000( //r2// ) liii s2p2 6p cliii s2p2 9h 0.00000( //r2// ) liii s2p2 6p cliii s2p2 8k 0.00000( //r2// ) liii s2p2 6p cliii s2p2 9k 0.00000( //r2// ) liii s2p2 6p cliii sp3 4s 0.00000( //r2// ) liii s2p2 6p cliii sp3 5s 0.00000( //r2// ) liii s2p2 6p cliii sp3 6s 0.00000( //r2// ) liii s2p2 6p cliii sp3 7s 0.00000( //r2// ) liii s2p2 6p cliii sp3 8s 0.00000( //r2// ) liii s2p2 6p cliii sp3 9s 0.00000( //r2// ) liii s2p2 6p cliii sp3 3d 0.00000( //r2// ) liii s2p2 6p cliii sp3 4d 0.00000( //r2// ) liii s2p2 6p cliii sp3 5d 0.00000( //r2// ) liii s2p2 6p cliii sp3 6d 0.00000( //r2// ) liii s2p2 6p cliii sp3 7d 0.00000( //r2// ) liii s2p2 6p cliii sp3 8d 0.00000( //r2// ) liii s2p2 6p cliii sp3 9d 0.00000( //r2// ) liii s2p2 6p cliii p5 0.00000( //r2// ) liii s2p2 7p cliii s2p3 0.32974( 7p//r2// 3p) liii s2p2 7p cliii s2p2 4p 2.04961( 7p//r2// 4p) liii s2p2 7p cliii s2p2 5p 10.83189( 7p//r2// 5p) liii s2p2 7p cliii s2p2 6p 90.84831( 7p//r2// 6p) liii s2p2 7p cliii s2p2 7p -377.67805( 7p//r2// 7p) liii s2p2 7p cliii s2p2 8p 180.95817( 7p//r2// 8p) liii s2p2 7p cliii s2p2 9p 46.21449( 7p//r2// 9p) liii s2p2 7p cliii s2p2 4f 3.34117( 7p//r2// 4f) liii s2p2 7p cliii s2p2 5f 36.23034( 7p//r2// 5f) liii s2p2 7p cliii s2p2 6f -366.37503( 7p//r2// 6f) liii s2p2 7p cliii s2p2 7f 377.80341( 7p//r2// 7f) liii s2p2 7p cliii s2p2 8f 53.74123( 7p//r2// 8f) liii s2p2 7p cliii s2p2 9f 15.63947( 7p//r2// 9f) liii s2p2 7p cliii s2p2 6h 0.00000( //r2// ) liii s2p2 7p cliii s2p2 7h 0.00000( //r2// ) liii s2p2 7p cliii s2p2 8h 0.00000( //r2// ) liii s2p2 7p cliii s2p2 9h 0.00000( //r2// ) liii s2p2 7p cliii s2p2 8k 0.00000( //r2// ) liii s2p2 7p cliii s2p2 9k 0.00000( //r2// ) liii s2p2 7p cliii sp3 4s 0.00000( //r2// ) liii s2p2 7p cliii sp3 5s 0.00000( //r2// ) liii s2p2 7p cliii sp3 6s 0.00000( //r2// ) liii s2p2 7p cliii sp3 7s 0.00000( //r2// ) liii s2p2 7p cliii sp3 8s 0.00000( //r2// ) liii s2p2 7p cliii sp3 9s 0.00000( //r2// ) liii s2p2 7p cliii sp3 3d 0.00000( //r2// ) liii s2p2 7p cliii sp3 4d 0.00000( //r2// ) liii s2p2 7p cliii sp3 5d 0.00000( //r2// ) liii s2p2 7p cliii sp3 6d 0.00000( //r2// ) liii s2p2 7p cliii sp3 7d 0.00000( //r2// ) liii s2p2 7p cliii sp3 8d 0.00000( //r2// ) liii s2p2 7p cliii sp3 9d 0.00000( //r2// ) liii s2p2 7p cliii p5 0.00000( //r2// ) liii s2p2 8p cliii s2p3 0.24380( 8p//r2// 3p) liii s2p2 8p cliii s2p2 4p 1.33729( 8p//r2// 4p) liii s2p2 8p cliii s2p2 5p 5.47460( 8p//r2// 5p) liii s2p2 8p cliii s2p2 6p 23.99797( 8p//r2// 6p) liii s2p2 8p cliii s2p2 7p 180.95817( 8p//r2// 7p) liii s2p2 8p cliii s2p2 8p -706.43907( 8p//r2// 8p) liii s2p2 8p cliii s2p2 9p 324.87381( 8p//r2// 9p) liii s2p2 8p cliii s2p2 4f 1.66970( 8p//r2// 4f) liii s2p2 8p cliii s2p2 5f 10.11287( 8p//r2// 5f) liii s2p2 8p cliii s2p2 6f 82.66722( 8p//r2// 6f) liii s2p2 8p cliii s2p2 7f -721.14177( 8p//r2// 7f) liii s2p2 8p cliii s2p2 8f 660.35169( 8p//r2// 8f) liii s2p2 8p cliii s2p2 9f 99.23642( 8p//r2// 9f) liii s2p2 8p cliii s2p2 6h 0.00000( //r2// ) liii s2p2 8p cliii s2p2 7h 0.00000( //r2// ) liii s2p2 8p cliii s2p2 8h 0.00000( //r2// ) liii s2p2 8p cliii s2p2 9h 0.00000( //r2// ) liii s2p2 8p cliii s2p2 8k 0.00000( //r2// ) liii s2p2 8p cliii s2p2 9k 0.00000( //r2// ) liii s2p2 8p cliii sp3 4s 0.00000( //r2// ) liii s2p2 8p cliii sp3 5s 0.00000( //r2// ) liii s2p2 8p cliii sp3 6s 0.00000( //r2// ) liii s2p2 8p cliii sp3 7s 0.00000( //r2// ) liii s2p2 8p cliii sp3 8s 0.00000( //r2// ) liii s2p2 8p cliii sp3 9s 0.00000( //r2// ) liii s2p2 8p cliii sp3 3d 0.00000( //r2// ) liii s2p2 8p cliii sp3 4d 0.00000( //r2// ) liii s2p2 8p cliii sp3 5d 0.00000( //r2// ) liii s2p2 8p cliii sp3 6d 0.00000( //r2// ) liii s2p2 8p cliii sp3 7d 0.00000( //r2// ) liii s2p2 8p cliii sp3 8d 0.00000( //r2// ) liii s2p2 8p cliii sp3 9d 0.00000( //r2// ) liii s2p2 8p cliii p5 0.00000( //r2// ) liii s2p2 9p cliii s2p3 0.19062( 9p//r2// 3p) liii s2p2 9p cliii s2p2 4p 0.97195( 9p//r2// 4p) liii s2p2 9p cliii s2p2 5p 3.47986( 9p//r2// 5p) liii s2p2 9p cliii s2p2 6p 11.76944( 9p//r2// 6p) liii s2p2 9p cliii s2p2 7p 46.21449( 9p//r2// 7p) liii s2p2 9p cliii s2p2 8p 324.87381( 9p//r2// 8p) liii s2p2 9p cliii s2p2 9p -1212.83501( 9p//r2// 9p) liii s2p2 9p cliii s2p2 4f 1.05047( 9p//r2// 4f) liii s2p2 9p cliii s2p2 5f 5.00398( 9p//r2// 5f) liii s2p2 9p cliii s2p2 6f 23.07471( 9p//r2// 6f) liii s2p2 9p cliii s2p2 7f 162.68643( 9p//r2// 7f) liii s2p2 9p cliii s2p2 8f -1279.59211( 9p//r2// 8f) liii s2p2 9p cliii s2p2 9f 1074.33151( 9p//r2// 9f) liii s2p2 9p cliii s2p2 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0.00000( //r2// ) liii s2p2 4f cliii sp3 9s 0.00000( //r2// ) liii s2p2 4f cliii sp3 3d 0.00000( //r2// ) liii s2p2 4f cliii sp3 4d 0.00000( //r2// ) liii s2p2 4f cliii sp3 5d 0.00000( //r2// ) liii s2p2 4f cliii sp3 6d 0.00000( //r2// ) liii s2p2 4f cliii sp3 7d 0.00000( //r2// ) liii s2p2 4f cliii sp3 8d 0.00000( //r2// ) liii s2p2 4f cliii sp3 9d 0.00000( //r2// ) liii s2p2 4f cliii p5 0.00000( //r2// ) liii s2p2 5f cliii s2p3 -1.93054( 5f//r2// 3p) liii s2p2 5f cliii s2p2 4p 0.06310( 5f//r2// 4p) liii s2p2 5f cliii s2p2 5p 87.73594( 5f//r2// 5p) liii s2p2 5f cliii s2p2 6p -159.08674( 5f//r2// 6p) liii s2p2 5f cliii s2p2 7p 36.23034( 5f//r2// 7p) liii s2p2 5f cliii s2p2 8p 10.11287( 5f//r2// 8p) liii s2p2 5f cliii s2p2 9p 5.00398( 5f//r2// 9p) liii s2p2 5f cliii s2p2 4f 35.44318( 5f//r2// 4f) liii s2p2 5f cliii s2p2 5f -158.69647( 5f//r2// 5f) liii s2p2 5f cliii s2p2 6f 94.16444( 5f//r2// 6f) liii s2p2 5f cliii s2p2 7f 21.77477( 5f//r2// 7f) liii s2p2 5f cliii s2p2 8f 9.77787( 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liii s2p2 6f cliii sp3 6s 0.00000( //r2// ) liii s2p2 6f cliii sp3 7s 0.00000( //r2// ) liii s2p2 6f cliii sp3 8s 0.00000( //r2// ) liii s2p2 6f cliii sp3 9s 0.00000( //r2// ) liii s2p2 6f cliii sp3 3d 0.00000( //r2// ) liii s2p2 6f cliii sp3 4d 0.00000( //r2// ) liii s2p2 6f cliii sp3 5d 0.00000( //r2// ) liii s2p2 6f cliii sp3 6d 0.00000( //r2// ) liii s2p2 6f cliii sp3 7d 0.00000( //r2// ) liii s2p2 6f cliii sp3 8d 0.00000( //r2// ) liii s2p2 6f cliii sp3 9d 0.00000( //r2// ) liii s2p2 6f cliii p5 0.00000( //r2// ) liii s2p2 7f cliii s2p3 -1.04472( 7f//r2// 3p) liii s2p2 7f cliii s2p2 4p -1.91296( 7f//r2// 4p) liii s2p2 7f cliii s2p2 5p 0.18545( 7f//r2// 5p) liii s2p2 7f cliii s2p2 6p 24.86239( 7f//r2// 6p) liii s2p2 7f cliii s2p2 7p 377.80341( 7f//r2// 7p) liii s2p2 7f cliii s2p2 8p -721.14177( 7f//r2// 8p) liii s2p2 7f cliii s2p2 9p 162.68643( 7f//r2// 9p) liii s2p2 7f cliii s2p2 4f 3.40808( 7f//r2// 4f) liii s2p2 7f cliii s2p2 5f 21.77477( 7f//r2// 5f) liii s2p2 7f cliii s2p2 6f 197.59962( 7f//r2// 6f) liii s2p2 7f cliii s2p2 7f -733.84314( 7f//r2// 7f) liii s2p2 7f cliii s2p2 8f 364.80720( 7f//r2// 8f) liii s2p2 7f cliii s2p2 9f 85.48972( 7f//r2// 9f) liii s2p2 7f cliii s2p2 6h -62.42643( 7f//r2// 6h) liii s2p2 7f cliii s2p2 7h 726.68831( 7f//r2// 7h) liii s2p2 7f cliii s2p2 8h -854.67439( 7f//r2// 8h) liii s2p2 7f cliii s2p2 9h -124.32665( 7f//r2// 9h) liii s2p2 7f cliii s2p2 8k 0.00000( //r2// ) liii s2p2 7f cliii s2p2 9k 0.00000( //r2// ) liii s2p2 7f cliii sp3 4s 0.00000( //r2// ) liii s2p2 7f cliii sp3 5s 0.00000( //r2// ) liii s2p2 7f cliii sp3 6s 0.00000( //r2// ) liii s2p2 7f cliii sp3 7s 0.00000( //r2// ) liii s2p2 7f cliii sp3 8s 0.00000( //r2// ) liii s2p2 7f cliii sp3 9s 0.00000( //r2// ) liii s2p2 7f cliii sp3 3d 0.00000( //r2// ) liii s2p2 7f cliii sp3 4d 0.00000( //r2// ) liii s2p2 7f cliii sp3 5d 0.00000( //r2// ) liii s2p2 7f cliii sp3 6d 0.00000( //r2// ) liii s2p2 7f cliii sp3 7d 0.00000( //r2// ) liii s2p2 7f cliii sp3 8d 0.00000( //r2// ) liii s2p2 7f cliii sp3 9d 0.00000( //r2// ) liii s2p2 7f cliii p5 0.00000( //r2// ) liii s2p2 8f cliii s2p3 -0.82444( 8f//r2// 3p) liii s2p2 8f cliii s2p2 4p -1.66528( 8f//r2// 4p) liii s2p2 8f cliii s2p2 5p -1.32118( 8f//r2// 5p) liii s2p2 8f cliii s2p2 6p 5.59103( 8f//r2// 6p) liii s2p2 8f cliii s2p2 7p 53.74123( 8f//r2// 7p) liii s2p2 8f cliii s2p2 8p 660.35169( 8f//r2// 8p) liii s2p2 8f cliii s2p2 9p -1279.59211( 8f//r2// 9p) liii s2p2 8f cliii s2p2 4f 1.96409( 8f//r2// 4f) liii s2p2 8f cliii s2p2 5f 9.77787( 8f//r2// 5f) liii s2p2 8f cliii s2p2 6f 46.31371( 8f//r2// 6f) liii s2p2 8f cliii s2p2 7f 364.80720( 8f//r2// 7f) liii s2p2 8f cliii s2p2 8f -1308.05383( 8f//r2// 8f) liii s2p2 8f cliii s2p2 9f 617.90919( 8f//r2// 9f) liii s2p2 8f cliii s2p2 6h -13.27009( 8f//r2// 6h) liii s2p2 8f cliii s2p2 7h -182.17908( 8f//r2// 7h) liii s2p2 8f cliii s2p2 8h 1453.17152( 8f//r2// 8h) liii s2p2 8f cliii s2p2 9h -1340.67226( 8f//r2// 9h) liii s2p2 8f cliii s2p2 8k 0.00000( //r2// ) liii s2p2 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cliii sp3 6d 0.00000( //r2// ) liii s2p2 9f cliii sp3 7d 0.00000( //r2// ) liii s2p2 9f cliii sp3 8d 0.00000( //r2// ) liii s2p2 9f cliii sp3 9d 0.00000( //r2// ) liii s2p2 9f cliii p5 0.00000( //r2// ) liii s2p2 6h cliii s2p3 0.00000( //r2// ) liii s2p2 6h cliii s2p2 4p 0.00000( //r2// ) liii s2p2 6h cliii s2p2 5p 0.00000( //r2// ) liii s2p2 6h cliii s2p2 6p 0.00000( //r2// ) liii s2p2 6h cliii s2p2 7p 0.00000( //r2// ) liii s2p2 6h cliii s2p2 8p 0.00000( //r2// ) liii s2p2 6h cliii s2p2 9p 0.00000( //r2// ) liii s2p2 6h cliii s2p2 4f 62.45847( 6h//r2// 4f) liii s2p2 6h cliii s2p2 5f -243.04204( 6h//r2// 5f) liii s2p2 6h cliii s2p2 6f 282.32157( 6h//r2// 6f) liii s2p2 6h cliii s2p2 7f -62.42643( 6h//r2// 7f) liii s2p2 6h cliii s2p2 8f -13.27009( 6h//r2// 8f) liii s2p2 6h cliii s2p2 9f -5.80454( 6h//r2// 9f) liii s2p2 6h cliii s2p2 6h -305.63280( 6h//r2// 6h) liii s2p2 6h cliii s2p2 7h 168.29749( 6h//r2// 7h) liii s2p2 6h cliii s2p2 8h 33.53099( 6h//r2// 8h) liii s2p2 6h cliii s2p2 9h 13.86020( 6h//r2// 9h) liii s2p2 6h cliii s2p2 8k 386.08690( 6h//r2// 8k) liii s2p2 6h cliii s2p2 9k 183.95033( 6h//r2// 9k) liii s2p2 6h cliii sp3 4s 0.00000( //r2// ) liii s2p2 6h cliii sp3 5s 0.00000( //r2// ) liii s2p2 6h cliii sp3 6s 0.00000( //r2// ) liii s2p2 6h cliii sp3 7s 0.00000( //r2// ) liii s2p2 6h cliii sp3 8s 0.00000( //r2// ) liii s2p2 6h cliii sp3 9s 0.00000( //r2// ) liii s2p2 6h cliii sp3 3d 0.00000( //r2// ) liii s2p2 6h cliii sp3 4d 0.00000( //r2// ) liii s2p2 6h cliii sp3 5d 0.00000( //r2// ) liii s2p2 6h cliii sp3 6d 0.00000( //r2// ) liii s2p2 6h cliii sp3 7d 0.00000( //r2// ) liii s2p2 6h cliii sp3 8d 0.00000( //r2// ) liii s2p2 6h cliii sp3 9d 0.00000( //r2// ) liii s2p2 6h cliii p5 0.00000( //r2// ) liii s2p2 7h cliii s2p3 0.00000( //r2// ) liii s2p2 7h cliii s2p2 4p 0.00000( //r2// ) liii s2p2 7h cliii s2p2 5p 0.00000( //r2// ) liii s2p2 7h cliii s2p2 6p 0.00000( //r2// ) liii s2p2 7h cliii s2p2 7p 0.00000( //r2// ) liii s2p2 7h cliii s2p2 8p 0.00000( //r2// ) liii s2p2 7h cliii s2p2 9p 0.00000( //r2// ) liii s2p2 7h cliii s2p2 4f 34.51162( 7h//r2// 4f) liii s2p2 7h cliii s2p2 5f 24.29694( 7h//r2// 5f) liii s2p2 7h cliii s2p2 6f -498.96400( 7h//r2// 6f) liii s2p2 7h cliii s2p2 7f 726.68831( 7h//r2// 7f) liii s2p2 7h cliii s2p2 8f -182.17908( 7h//r2// 8f) liii s2p2 7h cliii s2p2 9f -37.86513( 7h//r2// 9f) liii s2p2 7h cliii s2p2 6h 168.29749( 7h//r2// 6h) liii s2p2 7h cliii s2p2 7h -713.09828( 7h//r2// 7h) liii s2p2 7h cliii s2p2 8h 373.65645( 7h//r2// 8h) liii s2p2 7h cliii s2p2 9h 78.91713( 7h//r2// 9h) liii s2p2 7h cliii s2p2 8k -988.30073( 7h//r2// 8k) liii s2p2 7h cliii s2p2 9k 300.69680( 7h//r2// 9k) liii s2p2 7h cliii sp3 4s 0.00000( //r2// ) liii s2p2 7h cliii sp3 5s 0.00000( //r2// ) liii s2p2 7h cliii sp3 6s 0.00000( //r2// ) liii s2p2 7h cliii sp3 7s 0.00000( //r2// ) liii s2p2 7h cliii sp3 8s 0.00000( //r2// ) liii s2p2 7h cliii sp3 9s 0.00000( //r2// ) liii s2p2 7h cliii sp3 3d 0.00000( //r2// ) liii s2p2 7h cliii sp3 4d 0.00000( //r2// ) liii s2p2 7h cliii sp3 5d 0.00000( //r2// ) liii s2p2 7h cliii sp3 6d 0.00000( //r2// ) liii s2p2 7h cliii sp3 7d 0.00000( //r2// ) liii s2p2 7h cliii sp3 8d 0.00000( //r2// ) liii s2p2 7h cliii sp3 9d 0.00000( //r2// ) liii s2p2 7h cliii p5 0.00000( //r2// ) liii s2p2 8h cliii s2p3 0.00000( //r2// ) liii s2p2 8h cliii s2p2 4p 0.00000( //r2// ) liii s2p2 8h cliii s2p2 5p 0.00000( //r2// ) liii s2p2 8h cliii s2p2 6p 0.00000( //r2// ) liii s2p2 8h cliii s2p2 7p 0.00000( //r2// ) liii s2p2 8h cliii s2p2 8p 0.00000( //r2// ) liii s2p2 8h cliii s2p2 9p 0.00000( //r2// ) liii s2p2 8h cliii s2p2 4f 22.44211( 8h//r2// 4f) liii s2p2 8h cliii s2p2 5f 29.10686( 8h//r2// 5f) liii s2p2 8h cliii s2p2 6f -36.04364( 8h//r2// 6f) liii s2p2 8h cliii s2p2 7f -854.67439( 8h//r2// 7f) liii s2p2 8h cliii s2p2 8f 1453.17152( 8h//r2// 8f) liii s2p2 8h cliii s2p2 9f -398.47724( 8h//r2// 9f) liii s2p2 8h cliii s2p2 6h 33.53099( 8h//r2// 6h) liii s2p2 8h cliii s2p2 7h 373.65645( 8h//r2// 7h) liii s2p2 8h cliii s2p2 8h -1379.11487( 8h//r2// 8h) liii s2p2 8h cliii s2p2 9h 682.86638( 8h//r2// 9h) liii s2p2 8h cliii s2p2 8k 802.16540( 8h//r2// 8k) liii s2p2 8h cliii s2p2 9k -1883.73597( 8h//r2// 9k) liii s2p2 8h cliii sp3 4s 0.00000( //r2// ) liii s2p2 8h cliii sp3 5s 0.00000( //r2// ) liii s2p2 8h cliii sp3 6s 0.00000( //r2// ) liii s2p2 8h cliii sp3 7s 0.00000( //r2// ) liii s2p2 8h cliii sp3 8s 0.00000( //r2// ) liii s2p2 8h cliii sp3 9s 0.00000( //r2// ) liii s2p2 8h cliii sp3 3d 0.00000( //r2// ) liii s2p2 8h cliii sp3 4d 0.00000( //r2// ) liii s2p2 8h cliii sp3 5d 0.00000( //r2// ) liii s2p2 8h cliii sp3 6d 0.00000( //r2// ) liii s2p2 8h cliii sp3 7d 0.00000( //r2// ) liii s2p2 8h cliii sp3 8d 0.00000( //r2// ) liii s2p2 8h cliii sp3 9d 0.00000( //r2// ) liii s2p2 8h cliii p5 0.00000( //r2// ) liii s2p2 9h cliii s2p3 0.00000( //r2// ) liii s2p2 9h cliii s2p2 4p 0.00000( //r2// ) liii s2p2 9h cliii s2p2 5p 0.00000( //r2// ) liii s2p2 9h cliii s2p2 6p 0.00000( //r2// ) liii s2p2 9h cliii s2p2 7p 0.00000( //r2// ) liii s2p2 9h cliii s2p2 8p 0.00000( //r2// ) liii s2p2 9h cliii s2p2 9p 0.00000( //r2// ) liii s2p2 9h cliii s2p2 4f 16.15895( 9h//r2// 4f) liii s2p2 9h cliii s2p2 5f 23.57423( 9h//r2// 5f) liii s2p2 9h cliii s2p2 6f 8.40193( 9h//r2// 6f) liii s2p2 9h cliii s2p2 7f -124.32665( 9h//r2// 7f) liii s2p2 9h cliii s2p2 8f -1340.67226( 9h//r2// 8f) liii s2p2 9h cliii s2p2 9f 2554.20991( 9h//r2// 9f) liii s2p2 9h cliii s2p2 6h 13.86020( 9h//r2// 6h) liii s2p2 9h cliii s2p2 7h 78.91713( 9h//r2// 7h) liii s2p2 9h cliii s2p2 8h 682.86638( 9h//r2// 8h) liii s2p2 9h cliii s2p2 9h -2387.65158( 9h//r2// 9h) liii s2p2 9h cliii s2p2 8k -105.52246( 9h//r2// 8k) liii s2p2 9h cliii s2p2 9k 1879.94583( 9h//r2// 9k) liii s2p2 9h cliii sp3 4s 0.00000( //r2// ) liii s2p2 9h cliii sp3 5s 0.00000( //r2// ) liii s2p2 9h cliii sp3 6s 0.00000( //r2// ) liii s2p2 9h cliii sp3 7s 0.00000( //r2// ) liii s2p2 9h cliii sp3 8s 0.00000( //r2// ) liii s2p2 9h cliii sp3 9s 0.00000( //r2// ) liii s2p2 9h cliii sp3 3d 0.00000( //r2// ) liii s2p2 9h cliii sp3 4d 0.00000( //r2// ) liii s2p2 9h cliii sp3 5d 0.00000( //r2// ) liii s2p2 9h cliii sp3 6d 0.00000( //r2// ) liii s2p2 9h cliii sp3 7d 0.00000( //r2// ) liii s2p2 9h cliii sp3 8d 0.00000( //r2// ) liii s2p2 9h cliii sp3 9d 0.00000( //r2// ) liii s2p2 9h cliii p5 0.00000( //r2// ) liii s2p2 8k cliii s2p3 0.00000( //r2// ) liii s2p2 8k cliii s2p2 4p 0.00000( //r2// ) liii s2p2 8k cliii s2p2 5p 0.00000( //r2// ) liii s2p2 8k cliii s2p2 6p 0.00000( //r2// ) liii s2p2 8k cliii s2p2 7p 0.00000( //r2// ) liii s2p2 8k cliii s2p2 8p 0.00000( //r2// ) liii s2p2 8k cliii s2p2 9p 0.00000( //r2// ) liii s2p2 8k cliii s2p2 4f 0.00000( //r2// ) liii s2p2 8k cliii s2p2 5f 0.00000( //r2// ) liii s2p2 8k cliii s2p2 6f 0.00000( //r2// ) liii s2p2 8k cliii s2p2 7f 0.00000( //r2// ) liii s2p2 8k cliii s2p2 8f 0.00000( //r2// ) liii s2p2 8k cliii s2p2 9f 0.00000( //r2// ) liii s2p2 8k cliii s2p2 6h 386.08690( 8k//r2// 6h) liii s2p2 8k cliii s2p2 7h -988.30073( 8k//r2// 7h) liii s2p2 8k cliii s2p2 8h 802.16540( 8k//r2// 8h) liii s2p2 8k cliii s2p2 9h -105.52246( 8k//r2// 9h) liii s2p2 8k cliii s2p2 8k -1060.56974( 8k//r2// 8k) liii s2p2 8k cliii s2p2 9k 512.22068( 8k//r2// 9k) liii s2p2 8k cliii sp3 4s 0.00000( //r2// ) liii s2p2 8k cliii sp3 5s 0.00000( //r2// ) liii s2p2 8k cliii sp3 6s 0.00000( //r2// ) liii s2p2 8k cliii sp3 7s 0.00000( //r2// ) liii s2p2 8k cliii sp3 8s 0.00000( //r2// ) liii s2p2 8k cliii sp3 9s 0.00000( //r2// ) liii s2p2 8k cliii sp3 3d 0.00000( //r2// ) liii s2p2 8k cliii sp3 4d 0.00000( //r2// ) liii s2p2 8k cliii sp3 5d 0.00000( //r2// ) liii s2p2 8k cliii sp3 6d 0.00000( //r2// ) liii s2p2 8k cliii sp3 7d 0.00000( //r2// ) liii s2p2 8k cliii sp3 8d 0.00000( //r2// ) liii s2p2 8k cliii sp3 9d 0.00000( //r2// ) liii s2p2 8k cliii p5 0.00000( //r2// ) liii s2p2 9k cliii s2p3 0.00000( //r2// ) liii s2p2 9k cliii s2p2 4p 0.00000( //r2// ) liii s2p2 9k cliii s2p2 5p 0.00000( //r2// ) liii s2p2 9k cliii s2p2 6p 0.00000( //r2// ) liii s2p2 9k cliii s2p2 7p 0.00000( //r2// ) liii s2p2 9k cliii s2p2 8p 0.00000( //r2// ) liii s2p2 9k cliii s2p2 9p 0.00000( //r2// ) liii s2p2 9k cliii s2p2 4f 0.00000( //r2// ) liii s2p2 9k cliii s2p2 5f 0.00000( //r2// ) liii s2p2 9k cliii s2p2 6f 0.00000( //r2// ) liii s2p2 9k cliii s2p2 7f 0.00000( //r2// ) liii s2p2 9k cliii s2p2 8f 0.00000( //r2// ) liii s2p2 9k cliii s2p2 9f 0.00000( //r2// ) liii s2p2 9k cliii s2p2 6h 183.95033( 9k//r2// 6h) liii s2p2 9k cliii s2p2 7h 300.69680( 9k//r2// 7h) liii s2p2 9k cliii s2p2 8h -1883.73597( 9k//r2// 8h) liii s2p2 9k cliii s2p2 9h 1879.94583( 9k//r2// 9h) liii s2p2 9k cliii s2p2 8k 512.22068( 9k//r2// 8k) liii s2p2 9k cliii s2p2 9k -2087.99493( 9k//r2// 9k) liii s2p2 9k cliii sp3 4s 0.00000( //r2// ) liii s2p2 9k cliii sp3 5s 0.00000( //r2// ) liii s2p2 9k cliii sp3 6s 0.00000( //r2// ) liii s2p2 9k cliii sp3 7s 0.00000( //r2// ) liii s2p2 9k cliii sp3 8s 0.00000( //r2// ) liii s2p2 9k cliii sp3 9s 0.00000( //r2// ) liii s2p2 9k cliii sp3 3d 0.00000( //r2// ) liii s2p2 9k cliii sp3 4d 0.00000( //r2// ) liii s2p2 9k cliii sp3 5d 0.00000( //r2// ) liii s2p2 9k cliii sp3 6d 0.00000( //r2// ) liii s2p2 9k cliii sp3 7d 0.00000( //r2// ) liii s2p2 9k cliii sp3 8d 0.00000( //r2// ) liii s2p2 9k cliii sp3 9d 0.00000( //r2// ) liii s2p2 9k cliii p5 0.00000( //r2// ) liii sp3 4s cliii s2p3 0.00000( //r2// ) liii sp3 4s cliii s2p2 4p 0.00000( //r2// ) liii sp3 4s cliii s2p2 5p 0.00000( //r2// ) liii sp3 4s cliii s2p2 6p 0.00000( //r2// ) liii sp3 4s cliii s2p2 7p 0.00000( //r2// ) liii sp3 4s cliii s2p2 8p 0.00000( //r2// ) liii sp3 4s cliii s2p2 9p 0.00000( //r2// ) liii sp3 4s cliii s2p2 4f 0.00000( //r2// ) liii sp3 4s cliii s2p2 5f 0.00000( //r2// ) liii sp3 4s cliii s2p2 6f 0.00000( //r2// ) liii sp3 4s cliii s2p2 7f 0.00000( //r2// ) liii sp3 4s cliii s2p2 8f 0.00000( //r2// ) liii sp3 4s cliii s2p2 9f 0.00000( //r2// ) liii sp3 4s cliii s2p2 6h 0.00000( //r2// ) liii sp3 4s cliii s2p2 7h 0.00000( //r2// ) liii sp3 4s cliii s2p2 8h 0.00000( //r2// ) liii sp3 4s cliii s2p2 9h 0.00000( //r2// ) liii sp3 4s cliii s2p2 8k 0.00000( //r2// ) liii sp3 4s cliii s2p2 9k 0.00000( //r2// ) liii sp3 4s cliii sp3 4s -3.02488( 3p//r2// 3p) liii sp3 4s cliii sp3 5s 0.00000( //r2// ) liii sp3 4s cliii sp3 6s 0.00000( //r2// ) liii sp3 4s cliii sp3 7s 0.00000( //r2// ) liii sp3 4s cliii sp3 8s 0.00000( //r2// ) liii sp3 4s cliii sp3 9s 0.00000( //r2// ) liii sp3 4s cliii sp3 3d -6.16102( 4s//r2// 3d) liii sp3 4s cliii sp3 4d 16.01451( 4s//r2// 4d) liii sp3 4s cliii sp3 5d 1.71193( 4s//r2// 5d) liii sp3 4s cliii sp3 6d 0.37611( 4s//r2// 6d) liii sp3 4s cliii sp3 7d 0.06877( 4s//r2// 7d) liii sp3 4s cliii sp3 8d -0.02791( 4s//r2// 8d) liii sp3 4s cliii sp3 9d -0.06177( 4s//r2// 9d) liii sp3 4s cliii p5 0.00000( //r2// ) liii sp3 5s cliii s2p3 0.00000( //r2// ) liii sp3 5s cliii s2p2 4p 0.00000( //r2// ) liii sp3 5s cliii s2p2 5p 0.00000( //r2// ) liii sp3 5s cliii s2p2 6p 0.00000( //r2// ) liii sp3 5s cliii s2p2 7p 0.00000( //r2// ) liii sp3 5s cliii s2p2 8p 0.00000( //r2// ) liii sp3 5s cliii s2p2 9p 0.00000( //r2// ) liii sp3 5s cliii s2p2 4f 0.00000( //r2// ) liii sp3 5s cliii s2p2 5f 0.00000( //r2// ) liii sp3 5s cliii s2p2 6f 0.00000( //r2// ) liii sp3 5s cliii s2p2 7f 0.00000( //r2// ) liii sp3 5s cliii s2p2 8f 0.00000( //r2// ) liii sp3 5s cliii s2p2 9f 0.00000( //r2// ) liii sp3 5s cliii s2p2 6h 0.00000( //r2// ) liii sp3 5s cliii s2p2 7h 0.00000( //r2// ) liii sp3 5s cliii s2p2 8h 0.00000( //r2// ) liii sp3 5s cliii s2p2 9h 0.00000( //r2// ) liii sp3 5s cliii s2p2 8k 0.00000( //r2// ) liii sp3 5s cliii s2p2 9k 0.00000( //r2// ) liii sp3 5s cliii sp3 4s 0.00000( //r2// ) liii sp3 5s cliii sp3 5s -2.96378( 3p//r2// 3p) liii sp3 5s cliii sp3 6s 0.00000( //r2// ) liii sp3 5s cliii sp3 7s 0.00000( //r2// ) liii sp3 5s cliii sp3 8s 0.00000( //r2// ) liii sp3 5s cliii sp3 9s 0.00000( //r2// ) liii sp3 5s cliii sp3 3d 0.79241( 5s//r2// 3d) liii sp3 5s cliii sp3 4d -34.62768( 5s//r2// 4d) liii sp3 5s cliii sp3 5d 48.19315( 5s//r2// 5d) liii sp3 5s cliii sp3 6d 6.59950( 5s//r2// 6d) liii sp3 5s cliii sp3 7d 2.10468( 5s//r2// 7d) liii sp3 5s cliii sp3 8d 0.91594( 5s//r2// 8d) liii sp3 5s cliii sp3 9d 0.46571( 5s//r2// 9d) liii sp3 5s cliii p5 0.00000( //r2// ) liii sp3 6s cliii s2p3 0.00000( //r2// ) liii sp3 6s cliii s2p2 4p 0.00000( //r2// ) liii sp3 6s cliii s2p2 5p 0.00000( //r2// ) liii sp3 6s cliii s2p2 6p 0.00000( //r2// ) liii sp3 6s cliii s2p2 7p 0.00000( //r2// ) liii sp3 6s cliii s2p2 8p 0.00000( //r2// ) liii sp3 6s cliii s2p2 9p 0.00000( //r2// ) liii sp3 6s cliii s2p2 4f 0.00000( //r2// ) liii sp3 6s cliii s2p2 5f 0.00000( //r2// ) liii sp3 6s cliii s2p2 6f 0.00000( //r2// ) liii sp3 6s cliii s2p2 7f 0.00000( //r2// ) liii sp3 6s cliii s2p2 8f 0.00000( //r2// ) liii sp3 6s cliii s2p2 9f 0.00000( //r2// ) liii sp3 6s cliii s2p2 6h 0.00000( //r2// ) liii sp3 6s cliii s2p2 7h 0.00000( //r2// ) liii sp3 6s cliii s2p2 8h 0.00000( //r2// ) liii sp3 6s cliii s2p2 9h 0.00000( //r2// ) liii sp3 6s cliii s2p2 8k 0.00000( //r2// ) liii sp3 6s cliii s2p2 9k 0.00000( //r2// ) liii sp3 6s cliii sp3 4s 0.00000( //r2// ) liii sp3 6s cliii sp3 5s 0.00000( //r2// ) liii sp3 6s cliii sp3 6s -2.94940( 3p//r2// 3p) liii sp3 6s cliii sp3 7s 0.00000( //r2// ) liii sp3 6s cliii sp3 8s 0.00000( //r2// ) liii sp3 6s cliii sp3 9s 0.00000( //r2// ) liii sp3 6s cliii sp3 3d 0.32127( 6s//r2// 3d) liii sp3 6s cliii sp3 4d 7.10392( 6s//r2// 4d) liii sp3 6s cliii sp3 5d -103.20582( 6s//r2// 5d) liii sp3 6s cliii sp3 6d 112.53861( 6s//r2// 6d) liii sp3 6s cliii sp3 7d 16.58650( 6s//r2// 7d) liii sp3 6s cliii sp3 8d 5.77154( 6s//r2// 8d) liii sp3 6s cliii sp3 9d 2.78413( 6s//r2// 9d) liii sp3 6s cliii p5 0.00000( //r2// ) liii sp3 7s cliii s2p3 0.00000( //r2// ) liii sp3 7s cliii s2p2 4p 0.00000( //r2// ) liii sp3 7s cliii s2p2 5p 0.00000( //r2// ) liii sp3 7s cliii s2p2 6p 0.00000( //r2// ) liii sp3 7s cliii s2p2 7p 0.00000( //r2// ) liii sp3 7s cliii s2p2 8p 0.00000( //r2// ) liii sp3 7s cliii s2p2 9p 0.00000( //r2// ) liii sp3 7s cliii s2p2 4f 0.00000( //r2// ) liii sp3 7s cliii s2p2 5f 0.00000( //r2// ) liii sp3 7s cliii s2p2 6f 0.00000( //r2// ) liii sp3 7s cliii s2p2 7f 0.00000( //r2// ) liii sp3 7s cliii s2p2 8f 0.00000( //r2// ) liii sp3 7s cliii s2p2 9f 0.00000( //r2// ) liii sp3 7s cliii s2p2 6h 0.00000( //r2// ) liii sp3 7s cliii s2p2 7h 0.00000( //r2// ) liii sp3 7s cliii s2p2 8h 0.00000( //r2// ) liii sp3 7s cliii s2p2 9h 0.00000( //r2// ) liii sp3 7s cliii s2p2 8k 0.00000( //r2// ) liii sp3 7s cliii s2p2 9k 0.00000( //r2// ) liii sp3 7s cliii sp3 4s 0.00000( //r2// ) liii sp3 7s cliii sp3 5s 0.00000( //r2// ) liii sp3 7s cliii sp3 6s 0.00000( //r2// ) liii sp3 7s cliii sp3 7s -2.94411( 3p//r2// 3p) liii sp3 7s cliii sp3 8s 0.00000( //r2// ) liii sp3 7s cliii sp3 9s 0.00000( //r2// ) liii sp3 7s cliii sp3 3d 0.18854( 7s//r2// 3d) liii sp3 7s cliii sp3 4d 2.43530( 7s//r2// 4d) liii sp3 7s cliii sp3 5d 22.42108( 7s//r2// 5d) liii sp3 7s cliii sp3 6d -238.55643( 7s//r2// 6d) liii sp3 7s cliii sp3 7d 225.25792( 7s//r2// 7d) liii sp3 7s cliii sp3 8d 34.13611( 7s//r2// 8d) liii sp3 7s cliii sp3 9d 12.28493( 7s//r2// 9d) liii sp3 7s cliii p5 0.00000( //r2// ) liii sp3 8s cliii s2p3 0.00000( //r2// ) liii sp3 8s cliii s2p2 4p 0.00000( //r2// ) liii sp3 8s cliii s2p2 5p 0.00000( //r2// ) liii sp3 8s cliii s2p2 6p 0.00000( //r2// ) liii sp3 8s cliii s2p2 7p 0.00000( //r2// ) liii sp3 8s cliii s2p2 8p 0.00000( //r2// ) liii sp3 8s cliii s2p2 9p 0.00000( //r2// ) liii sp3 8s cliii s2p2 4f 0.00000( //r2// ) liii sp3 8s cliii s2p2 5f 0.00000( //r2// ) liii sp3 8s cliii s2p2 6f 0.00000( //r2// ) liii sp3 8s cliii s2p2 7f 0.00000( //r2// ) liii sp3 8s cliii s2p2 8f 0.00000( //r2// ) liii sp3 8s cliii s2p2 9f 0.00000( //r2// ) liii sp3 8s cliii s2p2 6h 0.00000( //r2// ) liii sp3 8s cliii s2p2 7h 0.00000( //r2// ) liii sp3 8s cliii s2p2 8h 0.00000( //r2// ) liii sp3 8s cliii s2p2 9h 0.00000( //r2// ) liii sp3 8s cliii s2p2 8k 0.00000( //r2// ) liii sp3 8s cliii s2p2 9k 0.00000( //r2// ) liii sp3 8s cliii sp3 4s 0.00000( //r2// ) liii sp3 8s cliii sp3 5s 0.00000( //r2// ) liii sp3 8s cliii sp3 6s 0.00000( //r2// ) liii sp3 8s cliii sp3 7s 0.00000( //r2// ) liii sp3 8s cliii sp3 8s -2.94167( 3p//r2// 3p) liii sp3 8s cliii sp3 9s 0.00000( //r2// ) liii sp3 8s cliii sp3 3d 0.12966( 8s//r2// 3d) liii sp3 8s cliii sp3 4d 1.32477( 8s//r2// 4d) liii sp3 8s cliii sp3 5d 7.35545( 8s//r2// 5d) liii sp3 8s cliii sp3 6d 52.86628( 8s//r2// 6d) liii sp3 8s cliii sp3 7d -473.63366( 8s//r2// 7d) liii sp3 8s cliii sp3 8d 405.72159( 8s//r2// 8d) liii sp3 8s cliii sp3 9d 62.17934( 8s//r2// 9d) liii sp3 8s cliii p5 0.00000( //r2// ) liii sp3 9s cliii s2p3 0.00000( //r2// ) liii sp3 9s cliii s2p2 4p 0.00000( //r2// ) liii sp3 9s cliii s2p2 5p 0.00000( //r2// ) liii sp3 9s cliii s2p2 6p 0.00000( //r2// ) liii sp3 9s cliii s2p2 7p 0.00000( //r2// ) liii sp3 9s cliii s2p2 8p 0.00000( //r2// ) liii sp3 9s cliii s2p2 9p 0.00000( //r2// ) liii sp3 9s cliii s2p2 4f 0.00000( //r2// ) liii sp3 9s cliii s2p2 5f 0.00000( //r2// ) liii sp3 9s cliii s2p2 6f 0.00000( //r2// ) liii sp3 9s cliii s2p2 7f 0.00000( //r2// ) liii sp3 9s cliii s2p2 8f 0.00000( //r2// ) liii sp3 9s cliii s2p2 9f 0.00000( //r2// ) liii sp3 9s cliii s2p2 6h 0.00000( //r2// ) liii sp3 9s cliii s2p2 7h 0.00000( //r2// ) liii sp3 9s cliii s2p2 8h 0.00000( //r2// ) liii sp3 9s cliii s2p2 9h 0.00000( //r2// ) liii sp3 9s cliii s2p2 8k 0.00000( //r2// ) liii sp3 9s cliii s2p2 9k 0.00000( //r2// ) liii sp3 9s cliii sp3 4s 0.00000( //r2// ) liii sp3 9s cliii sp3 5s 0.00000( //r2// ) liii sp3 9s cliii sp3 6s 0.00000( //r2// ) liii sp3 9s cliii sp3 7s 0.00000( //r2// ) liii sp3 9s cliii sp3 8s 0.00000( //r2// ) liii sp3 9s cliii sp3 9s -2.94038( 3p//r2// 3p) liii sp3 9s cliii sp3 3d 0.09716( 9s//r2// 3d) liii sp3 9s cliii sp3 4d 0.87309( 9s//r2// 4d) liii sp3 9s cliii sp3 5d 3.89316( 9s//r2// 5d) liii sp3 9s cliii sp3 6d 16.83631( 9s//r2// 6d) liii sp3 9s cliii sp3 7d 105.98754( 9s//r2// 7d) liii sp3 9s cliii sp3 8d -847.91381( 9s//r2// 8d) liii sp3 9s cliii sp3 9d 676.53116( 9s//r2// 9d) liii sp3 9s cliii p5 0.00000( //r2// ) liii sp3 3d cliii s2p3 2.88882( 3d//r2// 3s) liii sp3 3d cliii s2p2 4p 0.00000( //r2// ) liii sp3 3d cliii s2p2 5p 0.00000( //r2// ) liii sp3 3d cliii s2p2 6p 0.00000( //r2// ) liii sp3 3d cliii s2p2 7p 0.00000( //r2// ) liii sp3 3d cliii s2p2 8p 0.00000( //r2// ) liii sp3 3d cliii s2p2 9p 0.00000( //r2// ) liii sp3 3d cliii s2p2 4f 0.00000( //r2// ) liii sp3 3d cliii s2p2 5f 0.00000( //r2// ) liii sp3 3d cliii s2p2 6f 0.00000( //r2// ) liii sp3 3d cliii s2p2 7f 0.00000( //r2// ) liii sp3 3d cliii s2p2 8f 0.00000( //r2// ) liii sp3 3d cliii s2p2 9f 0.00000( //r2// ) liii sp3 3d cliii s2p2 6h 0.00000( //r2// ) liii sp3 3d cliii s2p2 7h 0.00000( //r2// ) liii sp3 3d cliii s2p2 8h 0.00000( //r2// ) liii sp3 3d cliii s2p2 9h 0.00000( //r2// ) liii sp3 3d cliii s2p2 8k 0.00000( //r2// ) liii sp3 3d cliii s2p2 9k 0.00000( //r2// ) liii sp3 3d cliii sp3 4s -6.16102( 3d//r2// 4s) liii sp3 3d cliii sp3 5s 0.79241( 3d//r2// 5s) liii sp3 3d cliii sp3 6s 0.32127( 3d//r2// 6s) liii sp3 3d cliii sp3 7s 0.18854( 3d//r2// 7s) liii sp3 3d cliii sp3 8s 0.12966( 3d//r2// 8s) liii sp3 3d cliii sp3 9s 0.09716( 3d//r2// 9s) liii sp3 3d cliii sp3 3d -5.90111( 3d//r2// 3d) liii sp3 3d cliii sp3 4d 5.14555( 3d//r2// 4d) liii sp3 3d cliii sp3 5d 1.65701( 3d//r2// 5d) liii sp3 3d cliii sp3 6d 0.89549( 3d//r2// 6d) liii sp3 3d cliii sp3 7d 0.58761( 3d//r2// 7d) liii sp3 3d cliii sp3 8d 0.42644( 3d//r2// 8d) liii sp3 3d cliii sp3 9d 0.32910( 3d//r2// 9d) liii sp3 3d cliii p5 0.00000( //r2// ) liii sp3 4d cliii s2p3 -0.09783( 4d//r2// 3s) liii sp3 4d cliii s2p2 4p 0.00000( //r2// ) liii sp3 4d cliii s2p2 5p 0.00000( //r2// ) liii sp3 4d cliii s2p2 6p 0.00000( //r2// ) liii sp3 4d cliii s2p2 7p 0.00000( //r2// ) liii sp3 4d cliii s2p2 8p 0.00000( //r2// ) liii sp3 4d cliii s2p2 9p 0.00000( //r2// ) liii sp3 4d cliii s2p2 4f 0.00000( //r2// ) liii sp3 4d cliii s2p2 5f 0.00000( //r2// ) liii sp3 4d cliii s2p2 6f 0.00000( //r2// ) liii sp3 4d cliii s2p2 7f 0.00000( //r2// ) liii sp3 4d cliii s2p2 8f 0.00000( //r2// ) liii sp3 4d cliii s2p2 9f 0.00000( //r2// ) liii sp3 4d cliii s2p2 6h 0.00000( //r2// ) liii sp3 4d cliii s2p2 7h 0.00000( //r2// ) liii sp3 4d cliii s2p2 8h 0.00000( //r2// ) liii sp3 4d cliii s2p2 9h 0.00000( //r2// ) liii sp3 4d cliii s2p2 8k 0.00000( //r2// ) liii sp3 4d cliii s2p2 9k 0.00000( //r2// ) liii sp3 4d cliii sp3 4s 16.01451( 4d//r2// 4s) liii sp3 4d cliii sp3 5s -34.62768( 4d//r2// 5s) liii sp3 4d cliii sp3 6s 7.10392( 4d//r2// 6s) liii sp3 4d cliii sp3 7s 2.43530( 4d//r2// 7s) liii sp3 4d cliii sp3 8s 1.32477( 4d//r2// 8s) liii sp3 4d cliii sp3 9s 0.87309( 4d//r2// 9s) liii sp3 4d cliii sp3 3d 5.14555( 4d//r2// 3d) liii sp3 4d cliii sp3 4d -38.36979( 4d//r2// 4d) liii sp3 4d cliii sp3 5d 24.43206( 4d//r2// 5d) liii sp3 4d cliii sp3 6d 6.57847( 4d//r2// 6d) liii sp3 4d cliii sp3 7d 3.27611( 4d//r2// 7d) liii sp3 4d cliii sp3 8d 2.06186( 4d//r2// 8d) liii sp3 4d cliii sp3 9d 1.46298( 4d//r2// 9d) liii sp3 4d cliii p5 0.00000( //r2// ) liii sp3 5d cliii s2p3 -0.17017( 5d//r2// 3s) liii sp3 5d cliii s2p2 4p 0.00000( //r2// ) liii sp3 5d cliii s2p2 5p 0.00000( //r2// ) liii sp3 5d cliii s2p2 6p 0.00000( //r2// ) liii sp3 5d cliii s2p2 7p 0.00000( //r2// ) liii sp3 5d cliii s2p2 8p 0.00000( //r2// ) liii sp3 5d cliii s2p2 9p 0.00000( //r2// ) liii sp3 5d cliii s2p2 4f 0.00000( //r2// ) liii sp3 5d cliii s2p2 5f 0.00000( //r2// ) liii sp3 5d cliii s2p2 6f 0.00000( //r2// ) liii sp3 5d cliii s2p2 7f 0.00000( //r2// ) liii sp3 5d cliii s2p2 8f 0.00000( //r2// ) liii sp3 5d cliii s2p2 9f 0.00000( //r2// ) liii sp3 5d cliii s2p2 6h 0.00000( //r2// ) liii sp3 5d cliii s2p2 7h 0.00000( //r2// ) liii sp3 5d cliii s2p2 8h 0.00000( //r2// ) liii sp3 5d cliii s2p2 9h 0.00000( //r2// ) liii sp3 5d cliii s2p2 8k 0.00000( //r2// ) liii sp3 5d cliii s2p2 9k 0.00000( //r2// ) liii sp3 5d cliii sp3 4s 1.71193( 5d//r2// 4s) liii sp3 5d cliii sp3 5s 48.19315( 5d//r2// 5s) liii sp3 5d cliii sp3 6s -103.20582( 5d//r2// 6s) liii sp3 5d cliii sp3 7s 22.42108( 5d//r2// 7s) liii sp3 5d cliii sp3 8s 7.35545( 5d//r2// 8s) liii sp3 5d cliii sp3 9s 3.89316( 5d//r2// 9s) liii sp3 5d cliii sp3 3d 1.65701( 5d//r2// 3d) liii sp3 5d cliii sp3 4d 24.43206( 5d//r2// 4d) liii sp3 5d cliii sp3 5d -118.42216( 5d//r2// 5d) liii sp3 5d cliii sp3 6d 65.90966( 5d//r2// 6d) liii sp3 5d cliii sp3 7d 17.04360( 5d//r2// 7d) liii sp3 5d cliii sp3 8d 8.25541( 5d//r2// 8d) liii sp3 5d cliii sp3 9d 5.09925( 5d//r2// 9d) liii sp3 5d cliii p5 0.00000( //r2// ) liii sp3 6d cliii s2p3 -0.14825( 6d//r2// 3s) liii sp3 6d cliii s2p2 4p 0.00000( //r2// ) liii sp3 6d cliii s2p2 5p 0.00000( //r2// ) liii sp3 6d cliii s2p2 6p 0.00000( //r2// ) liii sp3 6d cliii s2p2 7p 0.00000( //r2// ) liii sp3 6d cliii s2p2 8p 0.00000( //r2// ) liii sp3 6d cliii s2p2 9p 0.00000( //r2// ) liii sp3 6d cliii s2p2 4f 0.00000( //r2// ) liii sp3 6d cliii s2p2 5f 0.00000( //r2// ) liii sp3 6d cliii s2p2 6f 0.00000( //r2// ) liii sp3 6d cliii s2p2 7f 0.00000( //r2// ) liii sp3 6d cliii s2p2 8f 0.00000( //r2// ) liii sp3 6d cliii s2p2 9f 0.00000( //r2// ) liii sp3 6d cliii s2p2 6h 0.00000( //r2// ) liii sp3 6d cliii s2p2 7h 0.00000( //r2// ) liii sp3 6d cliii s2p2 8h 0.00000( //r2// ) liii sp3 6d cliii s2p2 9h 0.00000( //r2// ) liii sp3 6d cliii s2p2 8k 0.00000( //r2// ) liii sp3 6d cliii s2p2 9k 0.00000( //r2// ) liii sp3 6d cliii sp3 4s 0.37611( 6d//r2// 4s) liii sp3 6d cliii sp3 5s 6.59950( 6d//r2// 5s) liii sp3 6d cliii sp3 6s 112.53861( 6d//r2// 6s) liii sp3 6d cliii sp3 7s -238.55643( 6d//r2// 7s) liii sp3 6d cliii sp3 8s 52.86628( 6d//r2// 8s) liii sp3 6d cliii sp3 9s 16.83631( 6d//r2// 9s) liii sp3 6d cliii sp3 3d 0.89549( 6d//r2// 3d) liii sp3 6d cliii sp3 4d 6.57847( 6d//r2// 4d) liii sp3 6d cliii sp3 5d 65.90966( 6d//r2// 5d) liii sp3 6d cliii sp3 6d -278.74181( 6d//r2// 6d) liii sp3 6d cliii sp3 7d 142.46928( 6d//r2// 7d) liii sp3 6d cliii sp3 8d 35.84284( 6d//r2// 8d) liii sp3 6d cliii sp3 9d 17.01223( 6d//r2// 9d) liii sp3 6d cliii p5 0.00000( //r2// ) liii sp3 7d cliii s2p3 -0.12263( 7d//r2// 3s) liii sp3 7d cliii s2p2 4p 0.00000( //r2// ) liii sp3 7d cliii s2p2 5p 0.00000( //r2// ) liii sp3 7d cliii s2p2 6p 0.00000( //r2// ) liii sp3 7d cliii s2p2 7p 0.00000( //r2// ) liii sp3 7d cliii s2p2 8p 0.00000( //r2// ) liii sp3 7d cliii s2p2 9p 0.00000( //r2// ) liii sp3 7d cliii s2p2 4f 0.00000( //r2// ) liii sp3 7d cliii s2p2 5f 0.00000( //r2// ) liii sp3 7d cliii s2p2 6f 0.00000( //r2// ) liii sp3 7d cliii s2p2 7f 0.00000( //r2// ) liii sp3 7d cliii s2p2 8f 0.00000( //r2// ) liii sp3 7d cliii s2p2 9f 0.00000( //r2// ) liii sp3 7d cliii s2p2 6h 0.00000( //r2// ) liii sp3 7d cliii s2p2 7h 0.00000( //r2// ) liii sp3 7d cliii s2p2 8h 0.00000( //r2// ) liii sp3 7d cliii s2p2 9h 0.00000( //r2// ) liii sp3 7d cliii s2p2 8k 0.00000( //r2// ) liii sp3 7d cliii s2p2 9k 0.00000( //r2// ) liii sp3 7d cliii sp3 4s 0.06877( 7d//r2// 4s) liii sp3 7d cliii sp3 5s 2.10468( 7d//r2// 5s) liii sp3 7d cliii sp3 6s 16.58650( 7d//r2// 6s) liii sp3 7d cliii sp3 7s 225.25792( 7d//r2// 7s) liii sp3 7d cliii sp3 8s -473.63366( 7d//r2// 8s) liii sp3 7d cliii sp3 9s 105.98754( 7d//r2// 9s) liii sp3 7d cliii sp3 3d 0.58761( 7d//r2// 3d) liii sp3 7d cliii sp3 4d 3.27611( 7d//r2// 4d) liii sp3 7d cliii sp3 5d 17.04360( 7d//r2// 5d) liii sp3 7d cliii sp3 6d 142.46928( 7d//r2// 6d) liii sp3 7d cliii sp3 7d -559.35233( 7d//r2// 7d) liii sp3 7d cliii sp3 8d 269.60504( 7d//r2// 8d) liii sp3 7d cliii sp3 9d 66.35306( 7d//r2// 9d) liii sp3 7d cliii p5 0.00000( //r2// ) liii sp3 8d cliii s2p3 -0.10187( 8d//r2// 3s) liii sp3 8d cliii s2p2 4p 0.00000( //r2// ) liii sp3 8d cliii s2p2 5p 0.00000( //r2// ) liii sp3 8d cliii s2p2 6p 0.00000( //r2// ) liii sp3 8d cliii s2p2 7p 0.00000( //r2// ) liii sp3 8d cliii s2p2 8p 0.00000( //r2// ) liii sp3 8d cliii s2p2 9p 0.00000( //r2// ) liii sp3 8d cliii s2p2 4f 0.00000( //r2// ) liii sp3 8d cliii s2p2 5f 0.00000( //r2// ) liii sp3 8d cliii s2p2 6f 0.00000( //r2// ) liii sp3 8d cliii s2p2 7f 0.00000( //r2// ) liii sp3 8d cliii s2p2 8f 0.00000( //r2// ) liii sp3 8d cliii s2p2 9f 0.00000( //r2// ) liii sp3 8d cliii s2p2 6h 0.00000( //r2// ) liii sp3 8d cliii s2p2 7h 0.00000( //r2// ) liii sp3 8d cliii s2p2 8h 0.00000( //r2// ) liii sp3 8d cliii s2p2 9h 0.00000( //r2// ) liii sp3 8d cliii s2p2 8k 0.00000( //r2// ) liii sp3 8d cliii s2p2 9k 0.00000( //r2// ) liii sp3 8d cliii sp3 4s -0.02791( 8d//r2// 4s) liii sp3 8d cliii sp3 5s 0.91594( 8d//r2// 5s) liii sp3 8d cliii sp3 6s 5.77154( 8d//r2// 6s) liii sp3 8d cliii sp3 7s 34.13611( 8d//r2// 7s) liii sp3 8d cliii sp3 8s 405.72159( 8d//r2// 8s) liii sp3 8d cliii sp3 9s -847.91381( 8d//r2// 9s) liii sp3 8d cliii sp3 3d 0.42644( 8d//r2// 3d) liii sp3 8d cliii sp3 4d 2.06186( 8d//r2// 4d) liii sp3 8d cliii sp3 5d 8.25541( 8d//r2// 5d) liii sp3 8d cliii sp3 6d 35.84284( 8d//r2// 6d) liii sp3 8d cliii sp3 7d 269.60504( 8d//r2// 7d) liii sp3 8d cliii sp3 8d -1008.22760( 8d//r2// 8d) liii sp3 8d cliii sp3 9d 465.62049( 8d//r2// 9d) liii sp3 8d cliii p5 0.00000( //r2// ) liii sp3 9d cliii s2p3 -0.08579( 9d//r2// 3s) liii sp3 9d cliii s2p2 4p 0.00000( //r2// ) liii sp3 9d cliii s2p2 5p 0.00000( //r2// ) liii sp3 9d cliii s2p2 6p 0.00000( //r2// ) liii sp3 9d cliii s2p2 7p 0.00000( //r2// ) liii sp3 9d cliii s2p2 8p 0.00000( //r2// ) liii sp3 9d cliii s2p2 9p 0.00000( //r2// ) liii sp3 9d cliii s2p2 4f 0.00000( //r2// ) liii sp3 9d cliii s2p2 5f 0.00000( //r2// ) liii sp3 9d cliii s2p2 6f 0.00000( //r2// ) liii sp3 9d cliii s2p2 7f 0.00000( //r2// ) liii sp3 9d cliii s2p2 8f 0.00000( //r2// ) liii sp3 9d cliii s2p2 9f 0.00000( //r2// ) liii sp3 9d cliii s2p2 6h 0.00000( //r2// ) liii sp3 9d cliii s2p2 7h 0.00000( //r2// ) liii sp3 9d cliii s2p2 8h 0.00000( //r2// ) liii sp3 9d cliii s2p2 9h 0.00000( //r2// ) liii sp3 9d cliii s2p2 8k 0.00000( //r2// ) liii sp3 9d cliii s2p2 9k 0.00000( //r2// ) liii sp3 9d cliii sp3 4s -0.06177( 9d//r2// 4s) liii sp3 9d cliii sp3 5s 0.46571( 9d//r2// 5s) liii sp3 9d cliii sp3 6s 2.78413( 9d//r2// 6s) liii sp3 9d cliii sp3 7s 12.28493( 9d//r2// 7s) liii sp3 9d cliii sp3 8s 62.17934( 9d//r2// 8s) liii sp3 9d cliii sp3 9s 676.53116( 9d//r2// 9s) liii sp3 9d cliii sp3 3d 0.32910( 9d//r2// 3d) liii sp3 9d cliii sp3 4d 1.46298( 9d//r2// 4d) liii sp3 9d cliii sp3 5d 5.09925( 9d//r2// 5d) liii sp3 9d cliii sp3 6d 17.01223( 9d//r2// 6d) liii sp3 9d cliii sp3 7d 66.35306( 9d//r2// 7d) liii sp3 9d cliii sp3 8d 465.62049( 9d//r2// 8d) liii sp3 9d cliii sp3 9d -1681.33387( 9d//r2// 9d) liii sp3 9d cliii p5 0.00000( //r2// ) liii p5 cliii s2p3 0.00000( //r2// ) liii p5 cliii s2p2 4p 0.00000( //r2// ) liii p5 cliii s2p2 5p 0.00000( //r2// ) liii p5 cliii s2p2 6p 0.00000( //r2// ) liii p5 cliii s2p2 7p 0.00000( //r2// ) liii p5 cliii s2p2 8p 0.00000( //r2// ) liii p5 cliii s2p2 9p 0.00000( //r2// ) liii p5 cliii s2p2 4f 0.00000( //r2// ) liii p5 cliii s2p2 5f 0.00000( //r2// ) liii p5 cliii s2p2 6f 0.00000( //r2// ) liii p5 cliii s2p2 7f 0.00000( //r2// ) liii p5 cliii s2p2 8f 0.00000( //r2// ) liii p5 cliii s2p2 9f 0.00000( //r2// ) liii p5 cliii s2p2 6h 0.00000( //r2// ) liii p5 cliii s2p2 7h 0.00000( //r2// ) liii p5 cliii s2p2 8h 0.00000( //r2// ) liii p5 cliii s2p2 9h 0.00000( //r2// ) liii p5 cliii s2p2 8k 0.00000( //r2// ) liii p5 cliii s2p2 9k 0.00000( //r2// ) liii p5 cliii sp3 4s 0.00000( //r2// ) liii p5 cliii sp3 5s 0.00000( //r2// ) liii p5 cliii sp3 6s 0.00000( //r2// ) liii p5 cliii sp3 7s 0.00000( //r2// ) liii p5 cliii sp3 8s 0.00000( //r2// ) liii p5 cliii sp3 9s 0.00000( //r2// ) liii p5 cliii sp3 3d 0.00000( //r2// ) liii p5 cliii sp3 4d 0.00000( //r2// ) liii p5 cliii sp3 5d 0.00000( //r2// ) liii p5 cliii sp3 6d 0.00000( //r2// ) liii p5 cliii sp3 7d 0.00000( //r2// ) liii p5 cliii sp3 8d 0.00000( //r2// ) liii p5 cliii sp3 9d 0.00000( //r2// ) liii p5 cliii p5 -3.24021( 3p//r2// 3p) liii s2p2 4s cliii s2p2 4s -3.05040( 3p//r2// 3p) liii s2p2 4s cliii s2p2 5s 0.00000( //r2// ) liii s2p2 4s cliii s2p2 6s 0.00000( //r2// ) liii s2p2 4s cliii s2p2 7s 0.00000( //r2// ) liii s2p2 4s cliii s2p2 8s 0.00000( //r2// ) liii s2p2 4s cliii s2p2 9s 0.00000( //r2// ) liii s2p2 4s cliii s2p2 3d -6.38953( 4s//r2// 3d) liii s2p2 4s cliii s2p2 4d 16.14243( 4s//r2// 4d) liii s2p2 4s cliii s2p2 5d 1.77193( 4s//r2// 5d) liii s2p2 4s cliii s2p2 6d 0.40924( 4s//r2// 6d) liii s2p2 4s cliii s2p2 7d 0.09112( 4s//r2// 7d) liii s2p2 4s cliii s2p2 8d -0.01131( 4s//r2// 8d) liii s2p2 4s cliii s2p2 9d -0.04874( 4s//r2// 9d) liii s2p2 4s cliii s2p2 5g 0.00000( //r2// ) liii s2p2 4s cliii s2p2 6g 0.00000( //r2// ) liii s2p2 4s cliii s2p2 7g 0.00000( //r2// ) liii s2p2 4s cliii s2p2 8g 0.00000( //r2// ) liii s2p2 4s cliii s2p2 9g 0.00000( //r2// ) liii s2p2 4s cliii s2p2 7i 0.00000( //r2// ) liii s2p2 4s cliii s2p2 8i 0.00000( //r2// ) liii s2p2 4s cliii s2p2 9i 0.00000( //r2// ) liii s2p2 4s cliii sp4 0.00000( //r2// ) liii s2p2 4s cliii sp3 4p 0.00000( //r2// ) liii s2p2 4s cliii sp3 5p 0.00000( //r2// ) liii s2p2 4s cliii sp3 6p 0.00000( //r2// ) liii s2p2 4s cliii sp3 7p 0.00000( //r2// ) liii s2p2 4s cliii sp3 8p 0.00000( //r2// ) liii s2p2 4s cliii sp3 9p 0.00000( //r2// ) liii s2p2 4s cliii sp3 4f 0.00000( //r2// ) liii s2p2 4s cliii sp3 5f 0.00000( //r2// ) liii s2p2 4s cliii sp3 6f 0.00000( //r2// ) liii s2p2 4s cliii sp3 7f 0.00000( //r2// ) liii s2p2 4s cliii sp3 8f 0.00000( //r2// ) liii s2p2 4s cliii sp3 9f 0.00000( //r2// ) liii s2p2 5s cliii s2p2 4s 0.00000( //r2// ) liii s2p2 5s cliii s2p2 5s -2.98644( 3p//r2// 3p) liii s2p2 5s cliii s2p2 6s 0.00000( //r2// ) liii s2p2 5s cliii s2p2 7s 0.00000( //r2// ) liii s2p2 5s cliii s2p2 8s 0.00000( //r2// ) liii s2p2 5s cliii s2p2 9s 0.00000( //r2// ) liii s2p2 5s cliii s2p2 3d 0.90575( 5s//r2// 3d) liii s2p2 5s cliii s2p2 4d -35.11146( 5s//r2// 4d) liii s2p2 5s cliii s2p2 5d 48.35851( 5s//r2// 5d) liii s2p2 5s cliii s2p2 6d 6.75647( 5s//r2// 6d) liii s2p2 5s cliii s2p2 7d 2.19546( 5s//r2// 7d) liii s2p2 5s cliii s2p2 8d 0.97664( 5s//r2// 8d) liii s2p2 5s cliii s2p2 9d 0.51014( 5s//r2// 9d) liii s2p2 5s cliii s2p2 5g 0.00000( //r2// ) liii s2p2 5s cliii s2p2 6g 0.00000( //r2// ) liii s2p2 5s cliii s2p2 7g 0.00000( //r2// ) liii s2p2 5s cliii s2p2 8g 0.00000( //r2// ) liii s2p2 5s cliii s2p2 9g 0.00000( //r2// ) liii s2p2 5s cliii s2p2 7i 0.00000( //r2// ) liii s2p2 5s cliii s2p2 8i 0.00000( //r2// ) liii s2p2 5s cliii s2p2 9i 0.00000( //r2// ) liii s2p2 5s cliii sp4 0.00000( //r2// ) liii s2p2 5s cliii sp3 4p 0.00000( //r2// ) liii s2p2 5s cliii sp3 5p 0.00000( //r2// ) liii s2p2 5s cliii sp3 6p 0.00000( //r2// ) liii s2p2 5s cliii sp3 7p 0.00000( //r2// ) liii s2p2 5s cliii sp3 8p 0.00000( //r2// ) liii s2p2 5s cliii sp3 9p 0.00000( //r2// ) liii s2p2 5s cliii sp3 4f 0.00000( //r2// ) liii s2p2 5s cliii sp3 5f 0.00000( //r2// ) liii s2p2 5s cliii sp3 6f 0.00000( //r2// ) liii s2p2 5s cliii sp3 7f 0.00000( //r2// ) liii s2p2 5s cliii sp3 8f 0.00000( //r2// ) liii s2p2 5s cliii sp3 9f 0.00000( //r2// ) liii s2p2 6s cliii s2p2 4s 0.00000( //r2// ) liii s2p2 6s cliii s2p2 5s 0.00000( //r2// ) liii s2p2 6s cliii s2p2 6s -2.97146( 3p//r2// 3p) liii s2p2 6s cliii s2p2 7s 0.00000( //r2// ) liii s2p2 6s cliii s2p2 8s 0.00000( //r2// ) liii s2p2 6s cliii s2p2 9s 0.00000( //r2// ) liii s2p2 6s cliii s2p2 3d 0.35917( 6s//r2// 3d) liii s2p2 6s cliii s2p2 4d 7.34373( 6s//r2// 4d) liii s2p2 6s cliii s2p2 5d -104.30158( 6s//r2// 5d) liii s2p2 6s cliii s2p2 6d 112.57634( 6s//r2// 6d) liii s2p2 6s cliii s2p2 7d 16.91731( 6s//r2// 7d) liii s2p2 6s cliii s2p2 8d 5.96813( 6s//r2// 8d) liii s2p2 6s cliii s2p2 9d 2.91542( 6s//r2// 9d) liii s2p2 6s cliii s2p2 5g 0.00000( //r2// ) liii s2p2 6s cliii s2p2 6g 0.00000( //r2// ) liii s2p2 6s cliii s2p2 7g 0.00000( //r2// ) liii s2p2 6s cliii s2p2 8g 0.00000( //r2// ) liii s2p2 6s cliii s2p2 9g 0.00000( //r2// ) liii s2p2 6s cliii s2p2 7i 0.00000( //r2// ) liii s2p2 6s cliii s2p2 8i 0.00000( //r2// ) liii s2p2 6s cliii s2p2 9i 0.00000( //r2// ) liii s2p2 6s cliii sp4 0.00000( //r2// ) liii s2p2 6s cliii sp3 4p 0.00000( //r2// ) liii s2p2 6s cliii sp3 5p 0.00000( //r2// ) liii s2p2 6s cliii sp3 6p 0.00000( //r2// ) liii s2p2 6s cliii sp3 7p 0.00000( //r2// ) liii s2p2 6s cliii sp3 8p 0.00000( //r2// ) liii s2p2 6s cliii sp3 9p 0.00000( //r2// ) liii s2p2 6s cliii sp3 4f 0.00000( //r2// ) liii s2p2 6s cliii sp3 5f 0.00000( //r2// ) liii s2p2 6s cliii sp3 6f 0.00000( //r2// ) liii s2p2 6s cliii sp3 7f 0.00000( //r2// ) liii s2p2 6s cliii sp3 8f 0.00000( //r2// ) liii s2p2 6s cliii sp3 9f 0.00000( //r2// ) liii s2p2 7s cliii s2p2 4s 0.00000( //r2// ) liii s2p2 7s cliii s2p2 5s 0.00000( //r2// ) liii s2p2 7s cliii s2p2 6s 0.00000( //r2// ) liii s2p2 7s cliii s2p2 7s -2.96596( 3p//r2// 3p) liii s2p2 7s cliii s2p2 8s 0.00000( //r2// ) liii s2p2 7s cliii s2p2 9s 0.00000( //r2// ) liii s2p2 7s cliii s2p2 3d 0.20929( 7s//r2// 3d) liii s2p2 7s cliii s2p2 4d 2.50628( 7s//r2// 4d) liii s2p2 7s cliii s2p2 5d 23.05747( 7s//r2// 5d) liii s2p2 7s cliii s2p2 6d -240.68711( 7s//r2// 6d) liii s2p2 7s cliii s2p2 7d 224.87928( 7s//r2// 7d) liii s2p2 7s cliii s2p2 8d 34.73184( 7s//r2// 8d) liii s2p2 7s cliii s2p2 9d 12.64433( 7s//r2// 9d) liii s2p2 7s cliii s2p2 5g 0.00000( //r2// ) liii s2p2 7s cliii s2p2 6g 0.00000( //r2// ) liii s2p2 7s cliii s2p2 7g 0.00000( //r2// ) liii s2p2 7s cliii s2p2 8g 0.00000( //r2// ) liii s2p2 7s cliii s2p2 9g 0.00000( //r2// ) liii s2p2 7s cliii s2p2 7i 0.00000( //r2// ) liii s2p2 7s cliii s2p2 8i 0.00000( //r2// ) liii s2p2 7s cliii s2p2 9i 0.00000( //r2// ) liii s2p2 7s cliii sp4 0.00000( //r2// ) liii s2p2 7s cliii sp3 4p 0.00000( //r2// ) liii s2p2 7s cliii sp3 5p 0.00000( //r2// ) liii s2p2 7s cliii sp3 6p 0.00000( //r2// ) liii s2p2 7s cliii sp3 7p 0.00000( //r2// ) liii s2p2 7s cliii sp3 8p 0.00000( //r2// ) liii s2p2 7s cliii sp3 9p 0.00000( //r2// ) liii s2p2 7s cliii sp3 4f 0.00000( //r2// ) liii s2p2 7s cliii sp3 5f 0.00000( //r2// ) liii s2p2 7s cliii sp3 6f 0.00000( //r2// ) liii s2p2 7s cliii sp3 7f 0.00000( //r2// ) liii s2p2 7s cliii sp3 8f 0.00000( //r2// ) liii s2p2 7s cliii sp3 9f 0.00000( //r2// ) liii s2p2 8s cliii s2p2 4s 0.00000( //r2// ) liii s2p2 8s cliii s2p2 5s 0.00000( //r2// ) liii s2p2 8s cliii s2p2 6s 0.00000( //r2// ) liii s2p2 8s cliii s2p2 7s 0.00000( //r2// ) liii s2p2 8s cliii s2p2 8s -2.96343( 3p//r2// 3p) liii s2p2 8s cliii s2p2 9s 0.00000( //r2// ) liii s2p2 8s cliii s2p2 3d 0.14347( 8s//r2// 3d) liii s2p2 8s cliii s2p2 4d 1.36145( 8s//r2// 4d) liii s2p2 8s cliii s2p2 5d 7.52434( 8s//r2// 5d) liii s2p2 8s cliii s2p2 6d 54.28859( 8s//r2// 6d) liii s2p2 8s cliii s2p2 7d -477.33508( 8s//r2// 7d) liii s2p2 8s cliii s2p2 8d 404.48215( 8s//r2// 8d) liii s2p2 8s cliii s2p2 9d 63.15164( 8s//r2// 9d) liii s2p2 8s cliii s2p2 5g 0.00000( //r2// ) liii s2p2 8s cliii s2p2 6g 0.00000( //r2// ) liii s2p2 8s cliii s2p2 7g 0.00000( //r2// ) liii s2p2 8s cliii s2p2 8g 0.00000( //r2// ) liii s2p2 8s cliii s2p2 9g 0.00000( //r2// ) liii s2p2 8s cliii s2p2 7i 0.00000( //r2// ) liii s2p2 8s cliii s2p2 8i 0.00000( //r2// ) liii s2p2 8s cliii s2p2 9i 0.00000( //r2// ) liii s2p2 8s cliii sp4 0.00000( //r2// ) liii s2p2 8s cliii sp3 4p 0.00000( //r2// ) liii s2p2 8s cliii sp3 5p 0.00000( //r2// ) liii s2p2 8s cliii sp3 6p 0.00000( //r2// ) liii s2p2 8s cliii sp3 7p 0.00000( //r2// ) liii s2p2 8s cliii sp3 8p 0.00000( //r2// ) liii s2p2 8s cliii sp3 9p 0.00000( //r2// ) liii s2p2 8s cliii sp3 4f 0.00000( //r2// ) liii s2p2 8s cliii sp3 5f 0.00000( //r2// ) liii s2p2 8s cliii sp3 6f 0.00000( //r2// ) liii s2p2 8s cliii sp3 7f 0.00000( //r2// ) liii s2p2 8s cliii sp3 8f 0.00000( //r2// ) liii s2p2 8s cliii sp3 9f 0.00000( //r2// ) liii s2p2 9s cliii s2p2 4s 0.00000( //r2// ) liii s2p2 9s cliii s2p2 5s 0.00000( //r2// ) liii s2p2 9s cliii s2p2 6s 0.00000( //r2// ) liii s2p2 9s cliii s2p2 7s 0.00000( //r2// ) liii s2p2 9s cliii s2p2 8s 0.00000( //r2// ) liii s2p2 9s cliii s2p2 9s -2.96210( 3p//r2// 3p) liii s2p2 9s cliii s2p2 3d 0.10733( 9s//r2// 3d) liii s2p2 9s cliii s2p2 4d 0.89666( 9s//r2// 4d) liii s2p2 9s cliii s2p2 5d 3.97552( 9s//r2// 5d) liii s2p2 9s cliii s2p2 6d 17.18529( 9s//r2// 6d) liii s2p2 9s cliii s2p2 7d 108.74984( 9s//r2// 7d) liii s2p2 9s cliii s2p2 8d -853.84332( 9s//r2// 8d) liii s2p2 9s cliii s2p2 9d 673.79799( 9s//r2// 9d) liii s2p2 9s cliii s2p2 5g 0.00000( //r2// ) liii s2p2 9s cliii s2p2 6g 0.00000( //r2// ) liii s2p2 9s cliii s2p2 7g 0.00000( //r2// ) liii s2p2 9s cliii s2p2 8g 0.00000( //r2// ) liii s2p2 9s cliii s2p2 9g 0.00000( //r2// ) liii s2p2 9s cliii s2p2 7i 0.00000( //r2// ) liii s2p2 9s cliii s2p2 8i 0.00000( //r2// ) liii s2p2 9s cliii s2p2 9i 0.00000( //r2// ) liii s2p2 9s cliii sp4 0.00000( //r2// ) liii s2p2 9s cliii sp3 4p 0.00000( //r2// ) liii s2p2 9s cliii sp3 5p 0.00000( //r2// ) liii s2p2 9s cliii sp3 6p 0.00000( //r2// ) liii s2p2 9s cliii sp3 7p 0.00000( //r2// ) liii s2p2 9s cliii sp3 8p 0.00000( //r2// ) liii s2p2 9s cliii sp3 9p 0.00000( //r2// ) liii s2p2 9s cliii sp3 4f 0.00000( //r2// ) liii s2p2 9s cliii sp3 5f 0.00000( //r2// ) liii s2p2 9s cliii sp3 6f 0.00000( //r2// ) liii s2p2 9s cliii sp3 7f 0.00000( //r2// ) liii s2p2 9s cliii sp3 8f 0.00000( //r2// ) liii s2p2 9s cliii sp3 9f 0.00000( //r2// ) liii s2p2 3d cliii s2p2 4s -6.38953( 3d//r2// 4s) liii s2p2 3d cliii s2p2 5s 0.90575( 3d//r2// 5s) liii s2p2 3d cliii s2p2 6s 0.35917( 3d//r2// 6s) liii s2p2 3d cliii s2p2 7s 0.20929( 3d//r2// 7s) liii s2p2 3d cliii s2p2 8s 0.14347( 3d//r2// 8s) liii s2p2 3d cliii s2p2 9s 0.10733( 3d//r2// 9s) liii s2p2 3d cliii s2p2 3d -6.09910( 3d//r2// 3d) liii s2p2 3d cliii s2p2 4d 5.36956( 3d//r2// 4d) liii s2p2 3d cliii s2p2 5d 1.69214( 3d//r2// 5d) liii s2p2 3d cliii s2p2 6d 0.90835( 3d//r2// 6d) liii s2p2 3d cliii s2p2 7d 0.59444( 3d//r2// 7d) liii s2p2 3d cliii s2p2 8d 0.43084( 3d//r2// 8d) liii s2p2 3d cliii s2p2 9d 0.33226( 3d//r2// 9d) liii s2p2 3d cliii s2p2 5g 4.46985( 3d//r2// 5g) liii s2p2 3d cliii s2p2 6g 3.41782( 3d//r2// 6g) liii s2p2 3d cliii s2p2 7g 2.64941( 3d//r2// 7g) liii s2p2 3d cliii s2p2 8g 2.12379( 3d//r2// 8g) liii s2p2 3d cliii s2p2 9g 1.75154( 3d//r2// 9g) liii s2p2 3d cliii s2p2 7i 0.00000( //r2// ) liii s2p2 3d cliii s2p2 8i 0.00000( //r2// ) liii s2p2 3d cliii s2p2 9i 0.00000( //r2// ) liii s2p2 3d cliii sp4 0.00000( //r2// ) liii s2p2 3d cliii sp3 4p 0.00000( //r2// ) liii s2p2 3d cliii sp3 5p 0.00000( //r2// ) liii s2p2 3d cliii sp3 6p 0.00000( //r2// ) liii s2p2 3d cliii sp3 7p 0.00000( //r2// ) liii s2p2 3d cliii sp3 8p 0.00000( //r2// ) liii s2p2 3d cliii sp3 9p 0.00000( //r2// ) liii s2p2 3d cliii sp3 4f 0.00000( //r2// ) liii s2p2 3d cliii sp3 5f 0.00000( //r2// ) liii s2p2 3d cliii sp3 6f 0.00000( //r2// ) liii s2p2 3d cliii sp3 7f 0.00000( //r2// ) liii s2p2 3d cliii sp3 8f 0.00000( //r2// ) liii s2p2 3d cliii sp3 9f 0.00000( //r2// ) liii s2p2 4d cliii s2p2 4s 16.14243( 4d//r2// 4s) liii s2p2 4d cliii s2p2 5s -35.11146( 4d//r2// 5s) liii s2p2 4d cliii s2p2 6s 7.34373( 4d//r2// 6s) liii s2p2 4d cliii s2p2 7s 2.50628( 4d//r2// 7s) liii s2p2 4d cliii s2p2 8s 1.36145( 4d//r2// 8s) liii s2p2 4d cliii s2p2 9s 0.89666( 4d//r2// 9s) liii s2p2 4d cliii s2p2 3d 5.36956( 4d//r2// 3d) liii s2p2 4d cliii s2p2 4d -38.90537( 4d//r2// 4d) liii s2p2 4d cliii s2p2 5d 24.74181( 4d//r2// 5d) liii s2p2 4d cliii s2p2 6d 6.65611( 4d//r2// 6d) liii s2p2 4d cliii s2p2 7d 3.31381( 4d//r2// 7d) liii s2p2 4d cliii s2p2 8d 2.08531( 4d//r2// 8d) liii s2p2 4d cliii s2p2 9d 1.47950( 4d//r2// 9d) liii s2p2 4d cliii s2p2 5g -59.85632( 4d//r2// 5g) liii s2p2 4d cliii s2p2 6g -16.97731( 4d//r2// 6g) liii s2p2 4d cliii s2p2 7g -7.49824( 4d//r2// 7g) liii s2p2 4d cliii s2p2 8g -4.12889( 4d//r2// 8g) liii s2p2 4d cliii s2p2 9g -2.59203( 4d//r2// 9g) liii s2p2 4d cliii s2p2 7i 0.00000( //r2// ) liii s2p2 4d cliii s2p2 8i 0.00000( //r2// ) liii s2p2 4d cliii s2p2 9i 0.00000( //r2// ) liii s2p2 4d cliii sp4 0.00000( //r2// ) liii s2p2 4d cliii sp3 4p 0.00000( //r2// ) liii s2p2 4d cliii sp3 5p 0.00000( //r2// ) liii s2p2 4d cliii sp3 6p 0.00000( //r2// ) liii s2p2 4d cliii sp3 7p 0.00000( //r2// ) liii s2p2 4d cliii sp3 8p 0.00000( //r2// ) liii s2p2 4d cliii sp3 9p 0.00000( //r2// ) liii s2p2 4d cliii sp3 4f 0.00000( //r2// ) liii s2p2 4d cliii sp3 5f 0.00000( //r2// ) liii s2p2 4d cliii sp3 6f 0.00000( //r2// ) liii s2p2 4d cliii sp3 7f 0.00000( //r2// ) liii s2p2 4d cliii sp3 8f 0.00000( //r2// ) liii s2p2 4d cliii sp3 9f 0.00000( //r2// ) liii s2p2 5d cliii s2p2 4s 1.77193( 5d//r2// 4s) liii s2p2 5d cliii s2p2 5s 48.35851( 5d//r2// 5s) liii s2p2 5d cliii s2p2 6s -104.30158( 5d//r2// 6s) liii s2p2 5d cliii s2p2 7s 23.05747( 5d//r2// 7s) liii s2p2 5d cliii s2p2 8s 7.52434( 5d//r2// 8s) liii s2p2 5d cliii s2p2 9s 3.97552( 5d//r2// 9s) liii s2p2 5d cliii s2p2 3d 1.69214( 5d//r2// 3d) liii s2p2 5d cliii s2p2 4d 24.74181( 5d//r2// 4d) liii s2p2 5d cliii s2p2 5d -119.63785( 5d//r2// 5d) liii s2p2 5d cliii s2p2 6d 66.49174( 5d//r2// 6d) liii s2p2 5d cliii s2p2 7d 17.19341( 5d//r2// 7d) liii s2p2 5d cliii s2p2 8d 8.32807( 5d//r2// 8d) liii s2p2 5d cliii s2p2 9d 5.14418( 5d//r2// 9d) liii s2p2 5d cliii s2p2 5g 141.51833( 5d//r2// 5g) liii s2p2 5d cliii s2p2 6g -112.57307( 5d//r2// 6g) liii s2p2 5d cliii s2p2 7g -42.55819( 5d//r2// 7g) liii s2p2 5d cliii s2p2 8g -22.25939( 5d//r2// 8g) liii s2p2 5d cliii s2p2 9g -13.89001( 5d//r2// 9g) liii s2p2 5d cliii s2p2 7i 0.00000( //r2// ) liii s2p2 5d cliii s2p2 8i 0.00000( //r2// ) liii s2p2 5d cliii s2p2 9i 0.00000( //r2// ) liii s2p2 5d cliii sp4 0.00000( //r2// ) liii s2p2 5d cliii sp3 4p 0.00000( //r2// ) liii s2p2 5d cliii sp3 5p 0.00000( //r2// ) liii s2p2 5d cliii sp3 6p 0.00000( //r2// ) liii s2p2 5d cliii sp3 7p 0.00000( //r2// ) liii s2p2 5d cliii sp3 8p 0.00000( //r2// ) liii s2p2 5d cliii sp3 9p 0.00000( //r2// ) liii s2p2 5d cliii sp3 4f 0.00000( //r2// ) liii s2p2 5d cliii sp3 5f 0.00000( //r2// ) liii s2p2 5d cliii sp3 6f 0.00000( //r2// ) liii s2p2 5d cliii sp3 7f 0.00000( //r2// ) liii s2p2 5d cliii sp3 8f 0.00000( //r2// ) liii s2p2 5d cliii sp3 9f 0.00000( //r2// ) liii s2p2 6d cliii s2p2 4s 0.40924( 6d//r2// 4s) liii s2p2 6d cliii s2p2 5s 6.75647( 6d//r2// 5s) liii s2p2 6d cliii s2p2 6s 112.57634( 6d//r2// 6s) liii s2p2 6d cliii s2p2 7s -240.68711( 6d//r2// 7s) liii s2p2 6d cliii s2p2 8s 54.28859( 6d//r2// 8s) liii s2p2 6d cliii s2p2 9s 17.18529( 6d//r2// 9s) liii s2p2 6d cliii s2p2 3d 0.90835( 6d//r2// 3d) liii s2p2 6d cliii s2p2 4d 6.65611( 6d//r2// 4d) liii s2p2 6d cliii s2p2 5d 66.49174( 6d//r2// 5d) liii s2p2 6d cliii s2p2 6d -281.04691( 6d//r2// 6d) liii s2p2 6d cliii s2p2 7d 143.49774( 6d//r2// 7d) liii s2p2 6d cliii s2p2 8d 36.10121( 6d//r2// 8d) liii s2p2 6d cliii s2p2 9d 17.13467( 6d//r2// 9d) liii s2p2 6d cliii s2p2 5g -77.84063( 6d//r2// 5g) liii s2p2 6d cliii s2p2 6g 374.61074( 6d//r2// 6g) liii s2p2 6d cliii s2p2 7g -184.28074( 6d//r2// 7g) liii s2p2 6d cliii s2p2 8g -77.04536( 6d//r2// 8g) liii s2p2 6d cliii s2p2 9g -42.62274( 6d//r2// 9g) liii s2p2 6d cliii s2p2 7i 0.00000( //r2// ) liii s2p2 6d cliii s2p2 8i 0.00000( //r2// ) liii s2p2 6d cliii s2p2 9i 0.00000( //r2// ) liii s2p2 6d cliii sp4 0.00000( //r2// ) liii s2p2 6d cliii sp3 4p 0.00000( //r2// ) liii s2p2 6d cliii sp3 5p 0.00000( //r2// ) liii s2p2 6d cliii sp3 6p 0.00000( //r2// ) liii s2p2 6d cliii sp3 7p 0.00000( //r2// ) liii s2p2 6d cliii sp3 8p 0.00000( //r2// ) liii s2p2 6d cliii sp3 9p 0.00000( //r2// ) liii s2p2 6d cliii sp3 4f 0.00000( //r2// ) liii s2p2 6d cliii sp3 5f 0.00000( //r2// ) liii s2p2 6d cliii sp3 6f 0.00000( //r2// ) liii s2p2 6d cliii sp3 7f 0.00000( //r2// ) liii s2p2 6d cliii sp3 8f 0.00000( //r2// ) liii s2p2 6d cliii sp3 9f 0.00000( //r2// ) liii s2p2 7d cliii s2p2 4s 0.09112( 7d//r2// 4s) liii s2p2 7d cliii s2p2 5s 2.19546( 7d//r2// 5s) liii s2p2 7d cliii s2p2 6s 16.91731( 7d//r2// 6s) liii s2p2 7d cliii s2p2 7s 224.87928( 7d//r2// 7s) liii s2p2 7d cliii s2p2 8s -477.33508( 7d//r2// 8s) liii s2p2 7d cliii s2p2 9s 108.74984( 7d//r2// 9s) liii s2p2 7d cliii s2p2 3d 0.59444( 7d//r2// 3d) liii s2p2 7d cliii s2p2 4d 3.31381( 7d//r2// 4d) liii s2p2 7d cliii s2p2 5d 17.19341( 7d//r2// 5d) liii s2p2 7d cliii s2p2 6d 143.49774( 7d//r2// 6d) liii s2p2 7d cliii s2p2 7d -563.24812( 7d//r2// 7d) liii s2p2 7d cliii s2p2 8d 271.28346( 7d//r2// 8d) liii s2p2 7d cliii s2p2 9d 66.76240( 7d//r2// 9d) liii s2p2 7d cliii s2p2 5g -7.35666( 7d//r2// 5g) liii s2p2 7d cliii s2p2 6g -226.31472( 7d//r2// 6g) liii s2p2 7d cliii s2p2 7g 771.54143( 7d//r2// 7g) liii s2p2 7d cliii s2p2 8g -280.34116( 7d//r2// 8g) liii s2p2 7d cliii s2p2 9g -122.92178( 7d//r2// 9g) liii s2p2 7d cliii s2p2 7i 0.00000( //r2// ) liii s2p2 7d cliii s2p2 8i 0.00000( //r2// ) liii s2p2 7d cliii s2p2 9i 0.00000( //r2// ) liii s2p2 7d cliii sp4 0.00000( //r2// ) liii s2p2 7d cliii sp3 4p 0.00000( //r2// ) liii s2p2 7d cliii sp3 5p 0.00000( //r2// ) liii s2p2 7d cliii sp3 6p 0.00000( //r2// ) liii s2p2 7d cliii sp3 7p 0.00000( //r2// ) liii s2p2 7d cliii sp3 8p 0.00000( //r2// ) liii s2p2 7d cliii sp3 9p 0.00000( //r2// ) liii s2p2 7d cliii sp3 4f 0.00000( //r2// ) liii s2p2 7d cliii sp3 5f 0.00000( //r2// ) liii s2p2 7d cliii sp3 6f 0.00000( //r2// ) liii s2p2 7d cliii sp3 7f 0.00000( //r2// ) liii s2p2 7d cliii sp3 8f 0.00000( //r2// ) liii s2p2 7d cliii sp3 9f 0.00000( //r2// ) liii s2p2 8d cliii s2p2 4s -0.01131( 8d//r2// 4s) liii s2p2 8d cliii s2p2 5s 0.97664( 8d//r2// 5s) liii s2p2 8d cliii s2p2 6s 5.96813( 8d//r2// 6s) liii s2p2 8d cliii s2p2 7s 34.73184( 8d//r2// 7s) liii s2p2 8d cliii s2p2 8s 404.48215( 8d//r2// 8s) liii s2p2 8d cliii s2p2 9s -853.84332( 8d//r2// 9s) liii s2p2 8d cliii s2p2 3d 0.43084( 8d//r2// 3d) liii s2p2 8d cliii s2p2 4d 2.08531( 8d//r2// 4d) liii s2p2 8d cliii s2p2 5d 8.32807( 8d//r2// 5d) liii s2p2 8d cliii s2p2 6d 36.10121( 8d//r2// 6d) liii s2p2 8d cliii s2p2 7d 271.28346( 8d//r2// 7d) liii s2p2 8d cliii s2p2 8d -1014.30314( 8d//r2// 8d) liii s2p2 8d cliii s2p2 9d 468.18076( 8d//r2// 9d) liii s2p2 8d cliii s2p2 5g -2.86267( 8d//r2// 5g) liii s2p2 8d cliii s2p2 6g -19.66592( 8d//r2// 6g) liii s2p2 8d cliii s2p2 7g -495.82471( 8d//r2// 7g) liii s2p2 8d cliii s2p2 8g 1393.13776( 8d//r2// 8g) liii s2p2 8d cliii s2p2 9g -405.94296( 8d//r2// 9g) liii s2p2 8d cliii s2p2 7i 0.00000( //r2// ) liii s2p2 8d cliii s2p2 8i 0.00000( //r2// ) liii s2p2 8d cliii s2p2 9i 0.00000( //r2// ) liii s2p2 8d cliii sp4 0.00000( //r2// ) liii s2p2 8d cliii sp3 4p 0.00000( //r2// ) liii s2p2 8d cliii sp3 5p 0.00000( //r2// ) liii s2p2 8d cliii sp3 6p 0.00000( //r2// ) liii s2p2 8d cliii sp3 7p 0.00000( //r2// ) liii s2p2 8d cliii sp3 8p 0.00000( //r2// ) liii s2p2 8d cliii sp3 9p 0.00000( //r2// ) liii s2p2 8d cliii sp3 4f 0.00000( //r2// ) liii s2p2 8d cliii sp3 5f 0.00000( //r2// ) liii s2p2 8d cliii sp3 6f 0.00000( //r2// ) liii s2p2 8d cliii sp3 7f 0.00000( //r2// ) liii s2p2 8d cliii sp3 8f 0.00000( //r2// ) liii s2p2 8d cliii sp3 9f 0.00000( //r2// ) liii s2p2 9d cliii s2p2 4s -0.04874( 9d//r2// 4s) liii s2p2 9d cliii s2p2 5s 0.51014( 9d//r2// 5s) liii s2p2 9d cliii s2p2 6s 2.91542( 9d//r2// 6s) liii s2p2 9d cliii s2p2 7s 12.64433( 9d//r2// 7s) liii s2p2 9d cliii s2p2 8s 63.15164( 9d//r2// 8s) liii s2p2 9d cliii s2p2 9s 673.79799( 9d//r2// 9s) liii s2p2 9d cliii s2p2 3d 0.33226( 9d//r2// 3d) liii s2p2 9d cliii s2p2 4d 1.47950( 9d//r2// 4d) liii s2p2 9d cliii s2p2 5d 5.14418( 9d//r2// 5d) liii s2p2 9d cliii s2p2 6d 17.13467( 9d//r2// 6d) liii s2p2 9d cliii s2p2 7d 66.76240( 9d//r2// 7d) liii s2p2 9d cliii s2p2 8d 468.18076( 9d//r2// 8d) liii s2p2 9d cliii s2p2 9d -1690.26514( 9d//r2// 9d) liii s2p2 9d cliii s2p2 5g -1.61471( 9d//r2// 5g) liii s2p2 9d cliii s2p2 6g -7.41818( 9d//r2// 6g) liii s2p2 9d cliii s2p2 7g -39.84899( 9d//r2// 7g) liii s2p2 9d cliii s2p2 8g -935.90617( 9d//r2// 8g) liii s2p2 9d cliii s2p2 9g 2308.56973( 9d//r2// 9g) liii s2p2 9d cliii s2p2 7i 0.00000( //r2// ) liii s2p2 9d cliii s2p2 8i 0.00000( //r2// ) liii s2p2 9d cliii s2p2 9i 0.00000( //r2// ) liii s2p2 9d cliii sp4 0.00000( //r2// ) liii s2p2 9d cliii sp3 4p 0.00000( //r2// ) liii s2p2 9d cliii sp3 5p 0.00000( //r2// ) liii s2p2 9d cliii sp3 6p 0.00000( //r2// ) liii s2p2 9d cliii sp3 7p 0.00000( //r2// ) liii s2p2 9d cliii sp3 8p 0.00000( //r2// ) liii s2p2 9d cliii sp3 9p 0.00000( //r2// ) liii s2p2 9d cliii sp3 4f 0.00000( //r2// ) liii s2p2 9d cliii sp3 5f 0.00000( //r2// ) liii s2p2 9d cliii sp3 6f 0.00000( //r2// ) liii s2p2 9d cliii sp3 7f 0.00000( //r2// ) liii s2p2 9d cliii sp3 8f 0.00000( //r2// ) liii s2p2 9d cliii sp3 9f 0.00000( //r2// ) liii s2p2 5g cliii s2p2 4s 0.00000( //r2// ) liii s2p2 5g cliii s2p2 5s 0.00000( //r2// ) liii s2p2 5g cliii s2p2 6s 0.00000( //r2// ) liii s2p2 5g cliii s2p2 7s 0.00000( //r2// ) liii s2p2 5g cliii s2p2 8s 0.00000( //r2// ) liii s2p2 5g cliii s2p2 9s 0.00000( //r2// ) liii s2p2 5g cliii s2p2 3d 4.46985( 5g//r2// 3d) liii s2p2 5g cliii s2p2 4d -59.85632( 5g//r2// 4d) liii s2p2 5g cliii s2p2 5d 141.51833( 5g//r2// 5d) liii s2p2 5g cliii s2p2 6d -77.84063( 5g//r2// 6d) liii s2p2 5g cliii s2p2 7d -7.35666( 5g//r2// 7d) liii s2p2 5g cliii s2p2 8d -2.86267( 5g//r2// 8d) liii s2p2 5g cliii s2p2 9d -1.61471( 5g//r2// 9d) liii s2p2 5g cliii s2p2 5g -139.75181( 5g//r2// 5g) liii s2p2 5g cliii s2p2 6g 83.71211( 5g//r2// 6g) liii s2p2 5g cliii s2p2 7g 17.99938( 5g//r2// 7g) liii s2p2 5g cliii s2p2 8g 7.83015( 5g//r2// 8g) liii s2p2 5g cliii s2p2 9g 4.51146( 5g//r2// 9g) liii s2p2 5g cliii s2p2 7i 175.66972( 5g//r2// 7i) liii s2p2 5g cliii s2p2 8i 88.71119( 5g//r2// 8i) liii s2p2 5g cliii s2p2 9i 54.45892( 5g//r2// 9i) liii s2p2 5g cliii sp4 0.00000( //r2// ) liii s2p2 5g cliii sp3 4p 0.00000( //r2// ) liii s2p2 5g cliii sp3 5p 0.00000( //r2// ) liii s2p2 5g cliii sp3 6p 0.00000( //r2// ) liii s2p2 5g cliii sp3 7p 0.00000( //r2// ) liii s2p2 5g cliii sp3 8p 0.00000( //r2// ) liii s2p2 5g cliii sp3 9p 0.00000( //r2// ) liii s2p2 5g cliii sp3 4f 0.00000( //r2// ) liii s2p2 5g cliii sp3 5f 0.00000( //r2// ) liii s2p2 5g cliii sp3 6f 0.00000( //r2// ) liii s2p2 5g cliii sp3 7f 0.00000( //r2// ) liii s2p2 5g cliii sp3 8f 0.00000( //r2// ) liii s2p2 5g cliii sp3 9f 0.00000( //r2// ) liii s2p2 6g cliii s2p2 4s 0.00000( //r2// ) liii s2p2 6g cliii s2p2 5s 0.00000( //r2// ) liii s2p2 6g cliii s2p2 6s 0.00000( //r2// ) liii s2p2 6g cliii s2p2 7s 0.00000( //r2// ) liii s2p2 6g cliii s2p2 8s 0.00000( //r2// ) liii s2p2 6g cliii s2p2 9s 0.00000( //r2// ) liii s2p2 6g cliii s2p2 3d 3.41782( 6g//r2// 3d) liii s2p2 6g cliii s2p2 4d -16.97731( 6g//r2// 4d) liii s2p2 6g cliii s2p2 5d -112.57307( 6g//r2// 5d) liii s2p2 6g cliii s2p2 6d 374.61074( 6g//r2// 6d) liii s2p2 6g cliii s2p2 7d -226.31472( 6g//r2// 7d) liii s2p2 6g cliii s2p2 8d -19.66592( 6g//r2// 8d) liii s2p2 6g cliii s2p2 9d -7.41818( 6g//r2// 9d) liii s2p2 6g cliii s2p2 5g 83.71211( 6g//r2// 5g) liii s2p2 6g cliii s2p2 6g -368.42820( 6g//r2// 6g) liii s2p2 6g cliii s2p2 7g 201.26775( 6g//r2// 7g) liii s2p2 6g cliii s2p2 8g 45.03588( 6g//r2// 8g) liii s2p2 6g cliii s2p2 9g 19.84503( 6g//r2// 9g) liii s2p2 6g cliii s2p2 7i -531.33729( 6g//r2// 7i) liii s2p2 6g cliii s2p2 8i 124.18397( 6g//r2// 8i) liii s2p2 6g cliii s2p2 9i 98.02987( 6g//r2// 9i) liii s2p2 6g cliii sp4 0.00000( //r2// ) liii s2p2 6g cliii sp3 4p 0.00000( //r2// ) liii s2p2 6g cliii sp3 5p 0.00000( //r2// ) liii s2p2 6g cliii sp3 6p 0.00000( //r2// ) liii s2p2 6g cliii sp3 7p 0.00000( //r2// ) liii s2p2 6g cliii sp3 8p 0.00000( //r2// ) liii s2p2 6g cliii sp3 9p 0.00000( //r2// ) liii s2p2 6g cliii sp3 4f 0.00000( //r2// ) liii s2p2 6g cliii sp3 5f 0.00000( //r2// ) liii s2p2 6g cliii sp3 6f 0.00000( //r2// ) liii s2p2 6g cliii sp3 7f 0.00000( //r2// ) liii s2p2 6g cliii sp3 8f 0.00000( //r2// ) liii s2p2 6g cliii sp3 9f 0.00000( //r2// ) liii s2p2 7g cliii s2p2 4s 0.00000( //r2// ) liii s2p2 7g cliii s2p2 5s 0.00000( //r2// ) liii s2p2 7g cliii s2p2 6s 0.00000( //r2// ) liii s2p2 7g cliii s2p2 7s 0.00000( //r2// ) liii s2p2 7g cliii s2p2 8s 0.00000( //r2// ) liii s2p2 7g cliii s2p2 9s 0.00000( //r2// ) liii s2p2 7g cliii s2p2 3d 2.64941( 7g//r2// 3d) liii s2p2 7g cliii s2p2 4d -7.49824( 7g//r2// 4d) liii s2p2 7g cliii s2p2 5d -42.55819( 7g//r2// 5d) liii s2p2 7g cliii s2p2 6d -184.28074( 7g//r2// 6d) liii s2p2 7g cliii s2p2 7d 771.54143( 7g//r2// 7d) liii s2p2 7g cliii s2p2 8d -495.82471( 7g//r2// 8d) liii s2p2 7g cliii s2p2 9d -39.84899( 7g//r2// 9d) liii s2p2 7g cliii s2p2 5g 17.99938( 7g//r2// 5g) liii s2p2 7g cliii s2p2 6g 201.26775( 7g//r2// 6g) liii s2p2 7g cliii s2p2 7g -770.44427( 7g//r2// 7g) liii s2p2 7g cliii s2p2 8g 390.92003( 7g//r2// 8g) liii s2p2 7g cliii s2p2 9g 88.58204( 7g//r2// 9g) liii s2p2 7g cliii s2p2 7i 488.05756( 7g//r2// 7i) liii s2p2 7g cliii s2p2 8i -1059.51704( 7g//r2// 8i) liii s2p2 7g cliii s2p2 9i 42.67614( 7g//r2// 9i) liii s2p2 7g cliii sp4 0.00000( //r2// ) liii s2p2 7g cliii sp3 4p 0.00000( //r2// ) liii s2p2 7g cliii sp3 5p 0.00000( //r2// ) liii s2p2 7g cliii sp3 6p 0.00000( //r2// ) liii s2p2 7g cliii sp3 7p 0.00000( //r2// ) liii s2p2 7g cliii sp3 8p 0.00000( //r2// ) liii s2p2 7g cliii sp3 9p 0.00000( //r2// ) liii s2p2 7g cliii sp3 4f 0.00000( //r2// ) liii s2p2 7g cliii sp3 5f 0.00000( //r2// ) liii s2p2 7g cliii sp3 6f 0.00000( //r2// ) liii s2p2 7g cliii sp3 7f 0.00000( //r2// ) liii s2p2 7g cliii sp3 8f 0.00000( //r2// ) liii s2p2 7g cliii sp3 9f 0.00000( //r2// ) liii s2p2 8g cliii s2p2 4s 0.00000( //r2// ) liii s2p2 8g cliii s2p2 5s 0.00000( //r2// ) liii s2p2 8g cliii s2p2 6s 0.00000( //r2// ) liii s2p2 8g cliii s2p2 7s 0.00000( //r2// ) liii s2p2 8g cliii s2p2 8s 0.00000( //r2// ) liii s2p2 8g cliii s2p2 9s 0.00000( //r2// ) liii s2p2 8g cliii s2p2 3d 2.12379( 8g//r2// 3d) liii s2p2 8g cliii s2p2 4d -4.12889( 8g//r2// 4d) liii s2p2 8g cliii s2p2 5d -22.25939( 8g//r2// 5d) liii s2p2 8g cliii s2p2 6d -77.04536( 8g//r2// 6d) liii s2p2 8g cliii s2p2 7d -280.34116( 8g//r2// 7d) liii s2p2 8g cliii s2p2 8d 1393.13776( 8g//r2// 8d) liii s2p2 8g cliii s2p2 9d -935.90617( 8g//r2// 9d) liii s2p2 8g cliii s2p2 5g 7.83015( 8g//r2// 5g) liii s2p2 8g cliii s2p2 6g 45.03588( 8g//r2// 6g) liii s2p2 8g cliii s2p2 7g 390.92003( 8g//r2// 7g) liii s2p2 8g cliii s2p2 8g -1411.81648( 8g//r2// 8g) liii s2p2 8g cliii s2p2 9g 678.55304( 8g//r2// 9g) liii s2p2 8g cliii s2p2 7i -73.02224( 8g//r2// 7i) liii s2p2 8g cliii s2p2 8i 1193.16566( 8g//r2// 8i) liii s2p2 8g cliii s2p2 9i -1774.97808( 8g//r2// 9i) liii s2p2 8g cliii sp4 0.00000( //r2// ) liii s2p2 8g cliii sp3 4p 0.00000( //r2// ) liii s2p2 8g cliii sp3 5p 0.00000( //r2// ) liii s2p2 8g cliii sp3 6p 0.00000( //r2// ) liii s2p2 8g cliii sp3 7p 0.00000( //r2// ) liii s2p2 8g cliii sp3 8p 0.00000( //r2// ) liii s2p2 8g cliii sp3 9p 0.00000( //r2// ) liii s2p2 8g cliii sp3 4f 0.00000( //r2// ) liii s2p2 8g cliii sp3 5f 0.00000( //r2// ) liii s2p2 8g cliii sp3 6f 0.00000( //r2// ) liii s2p2 8g cliii sp3 7f 0.00000( //r2// ) liii s2p2 8g cliii sp3 8f 0.00000( //r2// ) liii s2p2 8g cliii sp3 9f 0.00000( //r2// ) liii s2p2 9g cliii s2p2 4s 0.00000( //r2// ) liii s2p2 9g cliii s2p2 5s 0.00000( //r2// ) liii s2p2 9g cliii s2p2 6s 0.00000( //r2// ) liii s2p2 9g cliii s2p2 7s 0.00000( //r2// ) liii s2p2 9g cliii s2p2 8s 0.00000( //r2// ) liii s2p2 9g cliii s2p2 9s 0.00000( //r2// ) liii s2p2 9g cliii s2p2 3d 1.75154( 9g//r2// 3d) liii s2p2 9g cliii s2p2 4d -2.59203( 9g//r2// 4d) liii s2p2 9g cliii s2p2 5d -13.89001( 9g//r2// 5d) liii s2p2 9g cliii s2p2 6d -42.62274( 9g//r2// 6d) liii s2p2 9g cliii s2p2 7d -122.92178( 9g//r2// 7d) liii s2p2 9g cliii s2p2 8d -405.94296( 9g//r2// 8d) liii s2p2 9g cliii s2p2 9d 2308.56973( 9g//r2// 9d) liii s2p2 9g cliii s2p2 5g 4.51146( 9g//r2// 5g) liii s2p2 9g cliii s2p2 6g 19.84503( 9g//r2// 6g) liii s2p2 9g cliii s2p2 7g 88.58204( 9g//r2// 7g) liii s2p2 9g cliii s2p2 8g 678.55304( 9g//r2// 8g) liii s2p2 9g cliii s2p2 9g -2368.75830( 9g//r2// 9g) liii s2p2 9g cliii s2p2 7i -16.03385( 9g//r2// 7i) liii s2p2 9g cliii s2p2 8i -202.67458( 9g//r2// 8i) liii s2p2 9g cliii s2p2 9i 2294.57788( 9g//r2// 9i) liii s2p2 9g cliii sp4 0.00000( //r2// ) liii s2p2 9g cliii sp3 4p 0.00000( //r2// ) liii s2p2 9g cliii sp3 5p 0.00000( //r2// ) liii s2p2 9g cliii sp3 6p 0.00000( //r2// ) liii s2p2 9g cliii sp3 7p 0.00000( //r2// ) liii s2p2 9g cliii sp3 8p 0.00000( //r2// ) liii s2p2 9g cliii sp3 9p 0.00000( //r2// ) liii s2p2 9g cliii sp3 4f 0.00000( //r2// ) liii s2p2 9g cliii sp3 5f 0.00000( //r2// ) liii s2p2 9g cliii sp3 6f 0.00000( //r2// ) liii s2p2 9g cliii sp3 7f 0.00000( //r2// ) liii s2p2 9g cliii sp3 8f 0.00000( //r2// ) liii s2p2 9g cliii sp3 9f 0.00000( //r2// ) liii s2p2 7i cliii s2p2 4s 0.00000( //r2// ) liii s2p2 7i cliii s2p2 5s 0.00000( //r2// ) liii s2p2 7i cliii s2p2 6s 0.00000( //r2// ) liii s2p2 7i cliii s2p2 7s 0.00000( //r2// ) liii s2p2 7i cliii s2p2 8s 0.00000( //r2// ) liii s2p2 7i cliii s2p2 9s 0.00000( //r2// ) liii s2p2 7i cliii s2p2 3d 0.00000( //r2// ) liii s2p2 7i cliii s2p2 4d 0.00000( //r2// ) liii s2p2 7i cliii s2p2 5d 0.00000( //r2// ) liii s2p2 7i cliii s2p2 6d 0.00000( //r2// ) liii s2p2 7i cliii s2p2 7d 0.00000( //r2// ) liii s2p2 7i cliii s2p2 8d 0.00000( //r2// ) liii s2p2 7i cliii s2p2 9d 0.00000( //r2// ) liii s2p2 7i cliii s2p2 5g 175.66972( 7i//r2// 5g) liii s2p2 7i cliii s2p2 6g -531.33729( 7i//r2// 6g) liii s2p2 7i cliii s2p2 7g 488.05756( 7i//r2// 7g) liii s2p2 7i cliii s2p2 8g -73.02224( 7i//r2// 8g) liii s2p2 7i cliii s2p2 9g -16.03385( 7i//r2// 9g) liii s2p2 7i cliii s2p2 7i -594.22993( 7i//r2// 7i) liii s2p2 7i cliii s2p2 8i 305.15087( 7i//r2// 8i) liii s2p2 7i cliii s2p2 9i 56.61790( 7i//r2// 9i) liii s2p2 7i cliii sp4 0.00000( //r2// ) liii s2p2 7i cliii sp3 4p 0.00000( //r2// ) liii s2p2 7i cliii sp3 5p 0.00000( //r2// ) liii s2p2 7i cliii sp3 6p 0.00000( //r2// ) liii s2p2 7i cliii sp3 7p 0.00000( //r2// ) liii s2p2 7i cliii sp3 8p 0.00000( //r2// ) liii s2p2 7i cliii sp3 9p 0.00000( //r2// ) liii s2p2 7i cliii sp3 4f 0.00000( //r2// ) liii s2p2 7i cliii sp3 5f 0.00000( //r2// ) liii s2p2 7i cliii sp3 6f 0.00000( //r2// ) liii s2p2 7i cliii sp3 7f 0.00000( //r2// ) liii s2p2 7i cliii sp3 8f 0.00000( //r2// ) liii s2p2 7i cliii sp3 9f 0.00000( //r2// ) liii s2p2 8i cliii s2p2 4s 0.00000( //r2// ) liii s2p2 8i cliii s2p2 5s 0.00000( //r2// ) liii s2p2 8i cliii s2p2 6s 0.00000( //r2// ) liii s2p2 8i cliii s2p2 7s 0.00000( //r2// ) liii s2p2 8i cliii s2p2 8s 0.00000( //r2// ) liii s2p2 8i cliii s2p2 9s 0.00000( //r2// ) liii s2p2 8i cliii s2p2 3d 0.00000( //r2// ) liii s2p2 8i cliii s2p2 4d 0.00000( //r2// ) liii s2p2 8i cliii s2p2 5d 0.00000( //r2// ) liii s2p2 8i cliii s2p2 6d 0.00000( //r2// ) liii s2p2 8i cliii s2p2 7d 0.00000( //r2// ) liii s2p2 8i cliii s2p2 8d 0.00000( //r2// ) liii s2p2 8i cliii s2p2 9d 0.00000( //r2// ) liii s2p2 8i cliii s2p2 5g 88.71119( 8i//r2// 5g) liii s2p2 8i cliii s2p2 6g 124.18397( 8i//r2// 6g) liii s2p2 8i cliii s2p2 7g -1059.51704( 8i//r2// 7g) liii s2p2 8i cliii s2p2 8g 1193.16566( 8i//r2// 8g) liii s2p2 8i cliii s2p2 9g -202.67458( 8i//r2// 9g) liii s2p2 8i cliii s2p2 7i 305.15087( 8i//r2// 7i) liii s2p2 8i cliii s2p2 8i -1261.21963( 8i//r2// 8i) liii s2p2 8i cliii s2p2 9i 638.53213( 8i//r2// 9i) liii s2p2 8i cliii sp4 0.00000( //r2// ) liii s2p2 8i cliii sp3 4p 0.00000( //r2// ) liii s2p2 8i cliii sp3 5p 0.00000( //r2// ) liii s2p2 8i cliii sp3 6p 0.00000( //r2// ) liii s2p2 8i cliii sp3 7p 0.00000( //r2// ) liii s2p2 8i cliii sp3 8p 0.00000( //r2// ) liii s2p2 8i cliii sp3 9p 0.00000( //r2// ) liii s2p2 8i cliii sp3 4f 0.00000( //r2// ) liii s2p2 8i cliii sp3 5f 0.00000( //r2// ) liii s2p2 8i cliii sp3 6f 0.00000( //r2// ) liii s2p2 8i cliii sp3 7f 0.00000( //r2// ) liii s2p2 8i cliii sp3 8f 0.00000( //r2// ) liii s2p2 8i cliii sp3 9f 0.00000( //r2// ) liii s2p2 9i cliii s2p2 4s 0.00000( //r2// ) liii s2p2 9i cliii s2p2 5s 0.00000( //r2// ) liii s2p2 9i cliii s2p2 6s 0.00000( //r2// ) liii s2p2 9i cliii s2p2 7s 0.00000( //r2// ) liii s2p2 9i cliii s2p2 8s 0.00000( //r2// ) liii s2p2 9i cliii s2p2 9s 0.00000( //r2// ) liii s2p2 9i cliii s2p2 3d 0.00000( //r2// ) liii s2p2 9i cliii s2p2 4d 0.00000( //r2// ) liii s2p2 9i cliii s2p2 5d 0.00000( //r2// ) liii s2p2 9i cliii s2p2 6d 0.00000( //r2// ) liii s2p2 9i cliii s2p2 7d 0.00000( //r2// ) liii s2p2 9i cliii s2p2 8d 0.00000( //r2// ) liii s2p2 9i cliii s2p2 9d 0.00000( //r2// ) liii s2p2 9i cliii s2p2 5g 54.45892( 9i//r2// 5g) liii s2p2 9i cliii s2p2 6g 98.02987( 9i//r2// 6g) liii s2p2 9i cliii s2p2 7g 42.67614( 9i//r2// 7g) liii s2p2 9i cliii s2p2 8g -1774.97808( 9i//r2// 8g) liii s2p2 9i cliii s2p2 9g 2294.57788( 9i//r2// 9g) liii s2p2 9i cliii s2p2 7i 56.61790( 9i//r2// 7i) liii s2p2 9i cliii s2p2 8i 638.53213( 9i//r2// 8i) liii s2p2 9i cliii s2p2 9i -2292.02741( 9i//r2// 9i) liii s2p2 9i cliii sp4 0.00000( //r2// ) liii s2p2 9i cliii sp3 4p 0.00000( //r2// ) liii s2p2 9i cliii sp3 5p 0.00000( //r2// ) liii s2p2 9i cliii sp3 6p 0.00000( //r2// ) liii s2p2 9i cliii sp3 7p 0.00000( //r2// ) liii s2p2 9i cliii sp3 8p 0.00000( //r2// ) liii s2p2 9i cliii sp3 9p 0.00000( //r2// ) liii s2p2 9i cliii sp3 4f 0.00000( //r2// ) liii s2p2 9i cliii sp3 5f 0.00000( //r2// ) liii s2p2 9i cliii sp3 6f 0.00000( //r2// ) liii s2p2 9i cliii sp3 7f 0.00000( //r2// ) liii s2p2 9i cliii sp3 8f 0.00000( //r2// ) liii s2p2 9i cliii sp3 9f 0.00000( //r2// ) liii sp4 cliii s2p2 4s 0.00000( //r2// ) liii sp4 cliii s2p2 5s 0.00000( //r2// ) liii sp4 cliii s2p2 6s 0.00000( //r2// ) liii sp4 cliii s2p2 7s 0.00000( //r2// ) liii sp4 cliii s2p2 8s 0.00000( //r2// ) liii sp4 cliii s2p2 9s 0.00000( //r2// ) liii sp4 cliii s2p2 3d 0.00000( //r2// ) liii sp4 cliii s2p2 4d 0.00000( //r2// ) liii sp4 cliii s2p2 5d 0.00000( //r2// ) liii sp4 cliii s2p2 6d 0.00000( //r2// ) liii sp4 cliii s2p2 7d 0.00000( //r2// ) liii sp4 cliii s2p2 8d 0.00000( //r2// ) liii sp4 cliii s2p2 9d 0.00000( //r2// ) liii sp4 cliii s2p2 5g 0.00000( //r2// ) liii sp4 cliii s2p2 6g 0.00000( //r2// ) liii sp4 cliii s2p2 7g 0.00000( //r2// ) liii sp4 cliii s2p2 8g 0.00000( //r2// ) liii sp4 cliii s2p2 9g 0.00000( //r2// ) liii sp4 cliii s2p2 7i 0.00000( //r2// ) liii sp4 cliii s2p2 8i 0.00000( //r2// ) liii sp4 cliii s2p2 9i 0.00000( //r2// ) liii sp4 cliii sp4 -3.28064( 3p//r2// 3p) liii sp4 cliii sp3 4p 2.31502( 3p//r2// 4p) liii sp4 cliii sp3 5p 0.84707( 3p//r2// 5p) liii sp4 cliii sp3 6p 0.48173( 3p//r2// 6p) liii sp4 cliii sp3 7p 0.32538( 3p//r2// 7p) liii sp4 cliii sp3 8p 0.24068( 3p//r2// 8p) liii sp4 cliii sp3 9p 0.18824( 3p//r2// 9p) liii sp4 cliii sp3 4f -2.78585( 3p//r2// 4f) liii sp4 cliii sp3 5f -1.90721( 3p//r2// 5f) liii sp4 cliii sp3 6f -1.36547( 3p//r2// 6f) liii sp4 cliii sp3 7f -1.03183( 3p//r2// 7f) liii sp4 cliii sp3 8f -0.81372( 3p//r2// 8f) liii sp4 cliii sp3 9f -0.66297( 3p//r2// 9f) liii sp3 4p cliii s2p2 4s 0.00000( //r2// ) liii sp3 4p cliii s2p2 5s 0.00000( //r2// ) liii sp3 4p cliii s2p2 6s 0.00000( //r2// ) liii sp3 4p cliii s2p2 7s 0.00000( //r2// ) liii sp3 4p cliii s2p2 8s 0.00000( //r2// ) liii sp3 4p cliii s2p2 9s 0.00000( //r2// ) liii sp3 4p cliii s2p2 3d 0.00000( //r2// ) liii sp3 4p cliii s2p2 4d 0.00000( //r2// ) liii sp3 4p cliii s2p2 5d 0.00000( //r2// ) liii sp3 4p cliii s2p2 6d 0.00000( //r2// ) liii sp3 4p cliii s2p2 7d 0.00000( //r2// ) liii sp3 4p cliii s2p2 8d 0.00000( //r2// ) liii sp3 4p cliii s2p2 9d 0.00000( //r2// ) liii sp3 4p cliii s2p2 5g 0.00000( //r2// ) liii sp3 4p cliii s2p2 6g 0.00000( //r2// ) liii sp3 4p cliii s2p2 7g 0.00000( //r2// ) liii sp3 4p cliii s2p2 8g 0.00000( //r2// ) liii sp3 4p cliii s2p2 9g 0.00000( //r2// ) liii sp3 4p cliii s2p2 7i 0.00000( //r2// ) liii sp3 4p cliii s2p2 8i 0.00000( //r2// ) liii sp3 4p cliii s2p2 9i 0.00000( //r2// ) liii sp3 4p cliii sp4 2.31502( 4p//r2// 3p) liii sp3 4p cliii sp3 4p -20.80694( 4p//r2// 4p) liii sp3 4p cliii sp3 5p 12.92335( 4p//r2// 5p) liii sp3 4p cliii sp3 6p 3.85274( 4p//r2// 6p) liii sp3 4p cliii sp3 7p 2.03367( 4p//r2// 7p) liii sp3 4p cliii sp3 8p 1.32765( 4p//r2// 8p) liii sp3 4p cliii sp3 9p 0.96532( 4p//r2// 9p) liii sp3 4p cliii sp3 4f 30.00488( 4p//r2// 4f) liii sp3 4p cliii sp3 5f 0.10180( 4p//r2// 5f) liii sp3 4p cliii sp3 6f -1.91503( 4p//r2// 6f) liii sp3 4p cliii sp3 7f -1.90482( 4p//r2// 7f) liii sp3 4p cliii sp3 8f -1.65982( 4p//r2// 8f) liii sp3 4p cliii sp3 9f -1.42132( 4p//r2// 9f) liii sp3 5p cliii s2p2 4s 0.00000( //r2// ) liii sp3 5p cliii s2p2 5s 0.00000( //r2// ) liii sp3 5p cliii s2p2 6s 0.00000( //r2// ) liii sp3 5p cliii s2p2 7s 0.00000( //r2// ) liii sp3 5p cliii s2p2 8s 0.00000( //r2// ) liii sp3 5p cliii s2p2 9s 0.00000( //r2// ) liii sp3 5p cliii s2p2 3d 0.00000( //r2// ) liii sp3 5p cliii s2p2 4d 0.00000( //r2// ) liii sp3 5p cliii s2p2 5d 0.00000( //r2// ) liii sp3 5p cliii s2p2 6d 0.00000( //r2// ) liii sp3 5p cliii s2p2 7d 0.00000( //r2// ) liii sp3 5p cliii s2p2 8d 0.00000( //r2// ) liii sp3 5p cliii s2p2 9d 0.00000( //r2// ) liii sp3 5p cliii s2p2 5g 0.00000( //r2// ) liii sp3 5p cliii s2p2 6g 0.00000( //r2// ) liii sp3 5p cliii s2p2 7g 0.00000( //r2// ) liii sp3 5p cliii s2p2 8g 0.00000( //r2// ) liii sp3 5p cliii s2p2 9g 0.00000( //r2// ) liii sp3 5p cliii s2p2 7i 0.00000( //r2// ) liii sp3 5p cliii s2p2 8i 0.00000( //r2// ) liii sp3 5p cliii s2p2 9i 0.00000( //r2// ) liii sp3 5p cliii sp4 0.84707( 5p//r2// 3p) liii sp3 5p cliii sp3 4p 12.92335( 5p//r2// 4p) liii sp3 5p cliii sp3 5p -70.73646( 5p//r2// 5p) liii sp3 5p cliii sp3 6p 38.86517( 5p//r2// 6p) liii sp3 5p cliii sp3 7p 10.75845( 5p//r2// 7p) liii sp3 5p cliii sp3 8p 5.44085( 5p//r2// 8p) liii sp3 5p cliii sp3 9p 3.45999( 5p//r2// 9p) liii sp3 5p cliii sp3 4f -51.58310( 5p//r2// 4f) liii sp3 5p cliii sp3 5f 86.95602( 5p//r2// 5f) liii sp3 5p cliii sp3 6f 8.20741( 5p//r2// 6f) liii sp3 5p cliii sp3 7f 0.19359( 5p//r2// 7f) liii sp3 5p cliii sp3 8f -1.31476( 5p//r2// 8f) liii sp3 5p cliii sp3 9f -1.58722( 5p//r2// 9f) liii sp3 6p cliii s2p2 4s 0.00000( //r2// ) liii sp3 6p cliii s2p2 5s 0.00000( //r2// ) liii sp3 6p cliii s2p2 6s 0.00000( //r2// ) liii sp3 6p cliii s2p2 7s 0.00000( //r2// ) liii sp3 6p cliii s2p2 8s 0.00000( //r2// ) liii sp3 6p cliii s2p2 9s 0.00000( //r2// ) liii sp3 6p cliii s2p2 3d 0.00000( //r2// ) liii sp3 6p cliii s2p2 4d 0.00000( //r2// ) liii sp3 6p cliii s2p2 5d 0.00000( //r2// ) liii sp3 6p cliii s2p2 6d 0.00000( //r2// ) liii sp3 6p cliii s2p2 7d 0.00000( //r2// ) liii sp3 6p cliii s2p2 8d 0.00000( //r2// ) liii sp3 6p cliii s2p2 9d 0.00000( //r2// ) liii sp3 6p cliii s2p2 5g 0.00000( //r2// ) liii sp3 6p cliii s2p2 6g 0.00000( //r2// ) liii sp3 6p cliii s2p2 7g 0.00000( //r2// ) liii sp3 6p cliii s2p2 8g 0.00000( //r2// ) liii sp3 6p cliii s2p2 9g 0.00000( //r2// ) liii sp3 6p cliii s2p2 7i 0.00000( //r2// ) liii sp3 6p cliii s2p2 8i 0.00000( //r2// ) liii sp3 6p cliii s2p2 9i 0.00000( //r2// ) liii sp3 6p cliii sp4 0.48173( 6p//r2// 3p) liii sp3 6p cliii sp3 4p 3.85274( 6p//r2// 4p) liii sp3 6p cliii sp3 5p 38.86517( 6p//r2// 5p) liii sp3 6p cliii sp3 6p -178.18864( 6p//r2// 6p) liii sp3 6p cliii sp3 7p 90.29463( 6p//r2// 7p) liii sp3 6p cliii sp3 8p 23.86667( 6p//r2// 8p) liii sp3 6p cliii sp3 9p 11.71060( 6p//r2// 9p) liii sp3 6p cliii sp3 4f 12.20179( 6p//r2// 4f) liii sp3 6p cliii sp3 5f -158.31423( 6p//r2// 5f) liii sp3 6p cliii sp3 6f 194.57495( 6p//r2// 6f) liii sp3 6p cliii sp3 7f 24.77628( 6p//r2// 7f) liii sp3 6p cliii sp3 8f 5.57012( 6p//r2// 8f) liii sp3 6p cliii sp3 9f 0.99829( 6p//r2// 9f) liii sp3 7p cliii s2p2 4s 0.00000( //r2// ) liii sp3 7p cliii s2p2 5s 0.00000( //r2// ) liii sp3 7p cliii s2p2 6s 0.00000( //r2// ) liii sp3 7p cliii s2p2 7s 0.00000( //r2// ) liii sp3 7p cliii s2p2 8s 0.00000( //r2// ) liii sp3 7p cliii s2p2 9s 0.00000( //r2// ) liii sp3 7p cliii s2p2 3d 0.00000( //r2// ) liii sp3 7p cliii s2p2 4d 0.00000( //r2// ) liii sp3 7p cliii s2p2 5d 0.00000( //r2// ) liii sp3 7p cliii s2p2 6d 0.00000( //r2// ) liii sp3 7p cliii s2p2 7d 0.00000( //r2// ) liii sp3 7p cliii s2p2 8d 0.00000( //r2// ) liii sp3 7p cliii s2p2 9d 0.00000( //r2// ) liii sp3 7p cliii s2p2 5g 0.00000( //r2// ) liii sp3 7p cliii s2p2 6g 0.00000( //r2// ) liii sp3 7p cliii s2p2 7g 0.00000( //r2// ) liii sp3 7p cliii s2p2 8g 0.00000( //r2// ) liii sp3 7p cliii s2p2 9g 0.00000( //r2// ) liii sp3 7p cliii s2p2 7i 0.00000( //r2// ) liii sp3 7p cliii s2p2 8i 0.00000( //r2// ) liii sp3 7p cliii s2p2 9i 0.00000( //r2// ) liii sp3 7p cliii sp4 0.32538( 7p//r2// 3p) liii sp3 7p cliii sp3 4p 2.03367( 7p//r2// 4p) liii sp3 7p cliii sp3 5p 10.75845( 7p//r2// 5p) liii sp3 7p cliii sp3 6p 90.29463( 7p//r2// 6p) liii sp3 7p cliii sp3 7p -375.79305( 7p//r2// 7p) liii sp3 7p cliii sp3 8p 180.05498( 7p//r2// 8p) liii sp3 7p cliii sp3 9p 46.00501( 7p//r2// 9p) liii sp3 7p cliii sp3 4f 3.35575( 7p//r2// 4f) liii sp3 7p cliii sp3 5f 36.30702( 7p//r2// 5f) liii sp3 7p cliii sp3 6f -364.65643( 7p//r2// 6f) liii sp3 7p cliii sp3 7f 375.89204( 7p//r2// 7f) liii sp3 7p cliii sp3 8f 53.52213( 7p//r2// 8f) liii sp3 7p cliii sp3 9f 15.56643( 7p//r2// 9f) liii sp3 8p cliii s2p2 4s 0.00000( //r2// ) liii sp3 8p cliii s2p2 5s 0.00000( //r2// ) liii sp3 8p cliii s2p2 6s 0.00000( //r2// ) liii sp3 8p cliii s2p2 7s 0.00000( //r2// ) liii sp3 8p cliii s2p2 8s 0.00000( //r2// ) liii sp3 8p cliii s2p2 9s 0.00000( //r2// ) liii sp3 8p cliii s2p2 3d 0.00000( //r2// ) liii sp3 8p cliii s2p2 4d 0.00000( //r2// ) liii sp3 8p cliii s2p2 5d 0.00000( //r2// ) liii sp3 8p cliii s2p2 6d 0.00000( //r2// ) liii sp3 8p cliii s2p2 7d 0.00000( //r2// ) liii sp3 8p cliii s2p2 8d 0.00000( //r2// ) liii sp3 8p cliii s2p2 9d 0.00000( //r2// ) liii sp3 8p cliii s2p2 5g 0.00000( //r2// ) liii sp3 8p cliii s2p2 6g 0.00000( //r2// ) liii sp3 8p cliii s2p2 7g 0.00000( //r2// ) liii sp3 8p cliii s2p2 8g 0.00000( //r2// ) liii sp3 8p cliii s2p2 9g 0.00000( //r2// ) liii sp3 8p cliii s2p2 7i 0.00000( //r2// ) liii sp3 8p cliii s2p2 8i 0.00000( //r2// ) liii sp3 8p cliii s2p2 9i 0.00000( //r2// ) liii sp3 8p cliii sp4 0.24068( 8p//r2// 3p) liii sp3 8p cliii sp3 4p 1.32765( 8p//r2// 4p) liii sp3 8p cliii sp3 5p 5.44085( 8p//r2// 5p) liii sp3 8p cliii sp3 6p 23.86667( 8p//r2// 6p) liii sp3 8p cliii sp3 7p 180.05498( 8p//r2// 7p) liii sp3 8p cliii sp3 8p -703.46782( 8p//r2// 8p) liii sp3 8p cliii sp3 9p 323.50908( 8p//r2// 9p) liii sp3 8p cliii sp3 4f 1.67379( 8p//r2// 4f) liii sp3 8p cliii sp3 5f 10.10334( 8p//r2// 5f) liii sp3 8p cliii sp3 6f 82.51281( 8p//r2// 6f) liii sp3 8p cliii sp3 7f -718.05043( 8p//r2// 7f) liii sp3 8p cliii sp3 8f 657.73253( 8p//r2// 8f) liii sp3 8p cliii sp3 9f 98.83960( 8p//r2// 9f) liii sp3 9p cliii s2p2 4s 0.00000( //r2// ) liii sp3 9p cliii s2p2 5s 0.00000( //r2// ) liii sp3 9p cliii s2p2 6s 0.00000( //r2// ) liii sp3 9p cliii s2p2 7s 0.00000( //r2// ) liii sp3 9p cliii s2p2 8s 0.00000( //r2// ) liii sp3 9p cliii s2p2 9s 0.00000( //r2// ) liii sp3 9p cliii s2p2 3d 0.00000( //r2// ) liii sp3 9p cliii s2p2 4d 0.00000( //r2// ) liii sp3 9p cliii s2p2 5d 0.00000( //r2// ) liii sp3 9p cliii s2p2 6d 0.00000( //r2// ) liii sp3 9p cliii s2p2 7d 0.00000( //r2// ) liii sp3 9p cliii s2p2 8d 0.00000( //r2// ) liii sp3 9p cliii s2p2 9d 0.00000( //r2// ) liii sp3 9p cliii s2p2 5g 0.00000( //r2// ) liii sp3 9p cliii s2p2 6g 0.00000( //r2// ) liii sp3 9p cliii s2p2 7g 0.00000( //r2// ) liii sp3 9p cliii s2p2 8g 0.00000( //r2// ) liii sp3 9p cliii s2p2 9g 0.00000( //r2// ) liii sp3 9p cliii s2p2 7i 0.00000( //r2// ) liii sp3 9p cliii s2p2 8i 0.00000( //r2// ) liii sp3 9p cliii s2p2 9i 0.00000( //r2// ) liii sp3 9p cliii sp4 0.18824( 9p//r2// 3p) liii sp3 9p cliii sp3 4p 0.96532( 9p//r2// 4p) liii sp3 9p cliii sp3 5p 3.45999( 9p//r2// 5p) liii sp3 9p cliii sp3 6p 11.71060( 9p//r2// 6p) liii sp3 9p cliii sp3 7p 46.00501( 9p//r2// 7p) liii sp3 9p cliii sp3 8p 323.50908( 9p//r2// 8p) liii sp3 9p cliii sp3 9p -1208.42561( 9p//r2// 9p) liii sp3 9p cliii sp3 4f 1.05211( 9p//r2// 4f) liii sp3 9p cliii sp3 5f 4.99469( 9p//r2// 5f) liii sp3 9p cliii sp3 6f 23.00046( 9p//r2// 6f) liii sp3 9p cliii sp3 7f 162.10949( 9p//r2// 7f) liii sp3 9p cliii sp3 8f -1274.65461( 9p//r2// 8f) liii sp3 9p cliii sp3 9f 1070.87710( 9p//r2// 9f) liii sp3 4f cliii s2p2 4s 0.00000( //r2// ) liii sp3 4f cliii s2p2 5s 0.00000( //r2// ) liii sp3 4f cliii s2p2 6s 0.00000( //r2// ) liii sp3 4f cliii s2p2 7s 0.00000( //r2// ) liii sp3 4f cliii s2p2 8s 0.00000( //r2// ) liii sp3 4f cliii s2p2 9s 0.00000( //r2// ) liii sp3 4f cliii s2p2 3d 0.00000( //r2// ) liii sp3 4f cliii s2p2 4d 0.00000( //r2// ) liii sp3 4f cliii s2p2 5d 0.00000( //r2// ) liii sp3 4f cliii s2p2 6d 0.00000( //r2// ) liii sp3 4f cliii s2p2 7d 0.00000( //r2// ) liii sp3 4f cliii s2p2 8d 0.00000( //r2// ) liii sp3 4f cliii s2p2 9d 0.00000( //r2// ) liii sp3 4f cliii s2p2 5g 0.00000( //r2// ) liii sp3 4f cliii s2p2 6g 0.00000( //r2// ) liii sp3 4f cliii s2p2 7g 0.00000( //r2// ) liii sp3 4f cliii s2p2 8g 0.00000( //r2// ) liii sp3 4f cliii s2p2 9g 0.00000( //r2// ) liii sp3 4f cliii s2p2 7i 0.00000( //r2// ) liii sp3 4f cliii s2p2 8i 0.00000( //r2// ) liii sp3 4f cliii s2p2 9i 0.00000( //r2// ) liii sp3 4f cliii sp4 -2.78585( 4f//r2// 3p) liii sp3 4f cliii sp3 4p 30.00488( 4f//r2// 4p) liii sp3 4f cliii sp3 5p -51.58310( 4f//r2// 5p) liii sp3 4f cliii sp3 6p 12.20179( 4f//r2// 6p) liii sp3 4f cliii sp3 7p 3.35575( 4f//r2// 7p) liii sp3 4f cliii sp3 8p 1.67379( 4f//r2// 8p) liii sp3 4f cliii sp3 9p 1.05211( 4f//r2// 9p) liii sp3 4f cliii sp3 4f -50.68011( 4f//r2// 4f) liii sp3 4f cliii sp3 5f 35.38495( 4f//r2// 5f) liii sp3 4f cliii sp3 6f 7.72918( 4f//r2// 6f) liii sp3 4f cliii sp3 7f 3.36378( 4f//r2// 7f) liii sp3 4f cliii sp3 8f 1.93258( 4f//r2// 8f) liii sp3 4f cliii sp3 9f 1.28610( 4f//r2// 9f) liii sp3 5f cliii s2p2 4s 0.00000( //r2// ) liii sp3 5f cliii s2p2 5s 0.00000( //r2// ) liii sp3 5f cliii s2p2 6s 0.00000( //r2// ) liii sp3 5f cliii s2p2 7s 0.00000( //r2// ) liii sp3 5f cliii s2p2 8s 0.00000( //r2// ) liii sp3 5f cliii s2p2 9s 0.00000( //r2// ) liii sp3 5f cliii s2p2 3d 0.00000( //r2// ) liii sp3 5f cliii s2p2 4d 0.00000( //r2// ) liii sp3 5f cliii s2p2 5d 0.00000( //r2// ) liii sp3 5f cliii s2p2 6d 0.00000( //r2// ) liii sp3 5f cliii s2p2 7d 0.00000( //r2// ) liii sp3 5f cliii s2p2 8d 0.00000( //r2// ) liii sp3 5f cliii s2p2 9d 0.00000( //r2// ) liii sp3 5f cliii s2p2 5g 0.00000( //r2// ) liii sp3 5f cliii s2p2 6g 0.00000( //r2// ) liii sp3 5f cliii s2p2 7g 0.00000( //r2// ) liii sp3 5f cliii s2p2 8g 0.00000( //r2// ) liii sp3 5f cliii s2p2 9g 0.00000( //r2// ) liii sp3 5f cliii s2p2 7i 0.00000( //r2// ) liii sp3 5f cliii s2p2 8i 0.00000( //r2// ) liii sp3 5f cliii s2p2 9i 0.00000( //r2// ) liii sp3 5f cliii sp4 -1.90721( 5f//r2// 3p) liii sp3 5f cliii sp3 4p 0.10180( 5f//r2// 4p) liii sp3 5f cliii sp3 5p 86.95602( 5f//r2// 5p) liii sp3 5f cliii sp3 6p -158.31423( 5f//r2// 6p) liii sp3 5f cliii sp3 7p 36.30702( 5f//r2// 7p) liii sp3 5f cliii sp3 8p 10.10334( 5f//r2// 8p) liii sp3 5f cliii sp3 9p 4.99469( 5f//r2// 9p) liii sp3 5f cliii sp3 4f 35.38495( 5f//r2// 4f) liii sp3 5f cliii sp3 5f -157.73972( 5f//r2// 5f) liii sp3 5f cliii sp3 6f 93.87222( 5f//r2// 6f) liii sp3 5f cliii sp3 7f 21.64789( 5f//r2// 7f) liii sp3 5f cliii sp3 8f 9.70337( 5f//r2// 8f) liii sp3 5f cliii sp3 9f 5.67561( 5f//r2// 9f) liii sp3 6f cliii s2p2 4s 0.00000( //r2// ) liii sp3 6f cliii s2p2 5s 0.00000( //r2// ) liii sp3 6f cliii s2p2 6s 0.00000( //r2// ) liii sp3 6f cliii s2p2 7s 0.00000( //r2// ) liii sp3 6f cliii s2p2 8s 0.00000( //r2// ) liii sp3 6f cliii s2p2 9s 0.00000( //r2// ) liii sp3 6f cliii s2p2 3d 0.00000( //r2// ) liii sp3 6f cliii s2p2 4d 0.00000( //r2// ) liii sp3 6f cliii s2p2 5d 0.00000( //r2// ) liii sp3 6f cliii s2p2 6d 0.00000( //r2// ) liii sp3 6f cliii s2p2 7d 0.00000( //r2// ) liii sp3 6f cliii s2p2 8d 0.00000( //r2// ) liii sp3 6f cliii s2p2 9d 0.00000( //r2// ) liii sp3 6f cliii s2p2 5g 0.00000( //r2// ) liii sp3 6f cliii s2p2 6g 0.00000( //r2// ) liii sp3 6f cliii s2p2 7g 0.00000( //r2// ) liii sp3 6f cliii s2p2 8g 0.00000( //r2// ) liii sp3 6f cliii s2p2 9g 0.00000( //r2// ) liii sp3 6f cliii s2p2 7i 0.00000( //r2// ) liii sp3 6f cliii s2p2 8i 0.00000( //r2// ) liii sp3 6f cliii s2p2 9i 0.00000( //r2// ) liii sp3 6f cliii sp4 -1.36547( 6f//r2// 3p) liii sp3 6f cliii sp3 4p -1.91503( 6f//r2// 4p) liii sp3 6f cliii sp3 5p 8.20741( 6f//r2// 5p) liii sp3 6f cliii sp3 6p 194.57495( 6f//r2// 6p) liii sp3 6f cliii sp3 7p -364.65643( 6f//r2// 7p) liii sp3 6f cliii sp3 8p 82.51281( 6f//r2// 8p) liii sp3 6f cliii sp3 9p 23.00046( 6f//r2// 9p) liii sp3 6f cliii sp3 4f 7.72918( 6f//r2// 4f) liii sp3 6f cliii sp3 5f 93.87222( 6f//r2// 5f) liii sp3 6f cliii sp3 6f -368.10407( 6f//r2// 6f) liii sp3 6f cliii sp3 7f 196.89242( 6f//r2// 7f) liii sp3 6f cliii sp3 8f 46.09697( 6f//r2// 8f) liii sp3 6f cliii sp3 9f 20.80408( 6f//r2// 9f) liii sp3 7f cliii s2p2 4s 0.00000( //r2// ) liii sp3 7f cliii s2p2 5s 0.00000( //r2// ) liii sp3 7f cliii s2p2 6s 0.00000( //r2// ) liii sp3 7f cliii s2p2 7s 0.00000( //r2// ) liii sp3 7f cliii s2p2 8s 0.00000( //r2// ) liii sp3 7f cliii s2p2 9s 0.00000( //r2// ) liii sp3 7f cliii s2p2 3d 0.00000( //r2// ) liii sp3 7f cliii s2p2 4d 0.00000( //r2// ) liii sp3 7f cliii s2p2 5d 0.00000( //r2// ) liii sp3 7f cliii s2p2 6d 0.00000( //r2// ) liii sp3 7f cliii s2p2 7d 0.00000( //r2// ) liii sp3 7f cliii s2p2 8d 0.00000( //r2// ) liii sp3 7f cliii s2p2 9d 0.00000( //r2// ) liii sp3 7f cliii s2p2 5g 0.00000( //r2// ) liii sp3 7f cliii s2p2 6g 0.00000( //r2// ) liii sp3 7f cliii s2p2 7g 0.00000( //r2// ) liii sp3 7f cliii s2p2 8g 0.00000( //r2// ) liii sp3 7f cliii s2p2 9g 0.00000( //r2// ) liii sp3 7f cliii s2p2 7i 0.00000( //r2// ) liii sp3 7f cliii s2p2 8i 0.00000( //r2// ) liii sp3 7f cliii s2p2 9i 0.00000( //r2// ) liii sp3 7f cliii sp4 -1.03183( 7f//r2// 3p) liii sp3 7f cliii sp3 4p -1.90482( 7f//r2// 4p) liii sp3 7f cliii sp3 5p 0.19359( 7f//r2// 5p) liii sp3 7f cliii sp3 6p 24.77628( 7f//r2// 6p) liii sp3 7f cliii sp3 7p 375.89204( 7f//r2// 7p) liii sp3 7f cliii sp3 8p -718.05043( 7f//r2// 8p) liii sp3 7f cliii sp3 9p 162.10949( 7f//r2// 9p) liii sp3 7f cliii sp3 4f 3.36378( 7f//r2// 4f) liii sp3 7f cliii sp3 5f 21.64789( 7f//r2// 5f) liii sp3 7f cliii sp3 6f 196.89242( 7f//r2// 6f) liii sp3 7f cliii sp3 7f -730.53639( 7f//r2// 7f) liii sp3 7f cliii sp3 8f 363.49749( 7f//r2// 8f) liii sp3 7f cliii sp3 9f 85.14700( 7f//r2// 9f) liii sp3 8f cliii s2p2 4s 0.00000( //r2// ) liii sp3 8f cliii s2p2 5s 0.00000( //r2// ) liii sp3 8f cliii s2p2 6s 0.00000( //r2// ) liii sp3 8f cliii s2p2 7s 0.00000( //r2// ) liii sp3 8f cliii s2p2 8s 0.00000( //r2// ) liii sp3 8f cliii s2p2 9s 0.00000( //r2// ) liii sp3 8f cliii s2p2 3d 0.00000( //r2// ) liii sp3 8f cliii s2p2 4d 0.00000( //r2// ) liii sp3 8f cliii s2p2 5d 0.00000( //r2// ) liii sp3 8f cliii s2p2 6d 0.00000( //r2// ) liii sp3 8f cliii s2p2 7d 0.00000( //r2// ) liii sp3 8f cliii s2p2 8d 0.00000( //r2// ) liii sp3 8f cliii s2p2 9d 0.00000( //r2// ) liii sp3 8f cliii s2p2 5g 0.00000( //r2// ) liii sp3 8f cliii s2p2 6g 0.00000( //r2// ) liii sp3 8f cliii s2p2 7g 0.00000( //r2// ) liii sp3 8f cliii s2p2 8g 0.00000( //r2// ) liii sp3 8f cliii s2p2 9g 0.00000( //r2// ) liii sp3 8f cliii s2p2 7i 0.00000( //r2// ) liii sp3 8f cliii s2p2 8i 0.00000( //r2// ) liii sp3 8f cliii s2p2 9i 0.00000( //r2// ) liii sp3 8f cliii sp4 -0.81372( 8f//r2// 3p) liii sp3 8f cliii sp3 4p -1.65982( 8f//r2// 4p) liii sp3 8f cliii sp3 5p -1.31476( 8f//r2// 5p) liii sp3 8f cliii sp3 6p 5.57012( 8f//r2// 6p) liii sp3 8f cliii sp3 7p 53.52213( 8f//r2// 7p) liii sp3 8f cliii sp3 8p 657.73253( 8f//r2// 8p) liii sp3 8f cliii sp3 9p -1274.65461( 8f//r2// 9p) liii sp3 8f cliii sp3 4f 1.93258( 8f//r2// 4f) liii sp3 8f cliii sp3 5f 9.70337( 8f//r2// 5f) liii sp3 8f cliii sp3 6f 46.09697( 8f//r2// 6f) liii sp3 8f cliii sp3 7f 363.49749( 8f//r2// 7f) liii sp3 8f cliii sp3 8f -1302.91504( 8f//r2// 8f) liii sp3 8f cliii sp3 9f 615.80529( 8f//r2// 9f) liii sp3 9f cliii s2p2 4s 0.00000( //r2// ) liii sp3 9f cliii s2p2 5s 0.00000( //r2// ) liii sp3 9f cliii s2p2 6s 0.00000( //r2// ) liii sp3 9f cliii s2p2 7s 0.00000( //r2// ) liii sp3 9f cliii s2p2 8s 0.00000( //r2// ) liii sp3 9f cliii s2p2 9s 0.00000( //r2// ) liii sp3 9f cliii s2p2 3d 0.00000( //r2// ) liii sp3 9f cliii s2p2 4d 0.00000( //r2// ) liii sp3 9f cliii s2p2 5d 0.00000( //r2// ) liii sp3 9f cliii s2p2 6d 0.00000( //r2// ) liii sp3 9f cliii s2p2 7d 0.00000( //r2// ) liii sp3 9f cliii s2p2 8d 0.00000( //r2// ) liii sp3 9f cliii s2p2 9d 0.00000( //r2// ) liii sp3 9f cliii s2p2 5g 0.00000( //r2// ) liii sp3 9f cliii s2p2 6g 0.00000( //r2// ) liii sp3 9f cliii s2p2 7g 0.00000( //r2// ) liii sp3 9f cliii s2p2 8g 0.00000( //r2// ) liii sp3 9f cliii s2p2 9g 0.00000( //r2// ) liii sp3 9f cliii s2p2 7i 0.00000( //r2// ) liii sp3 9f cliii s2p2 8i 0.00000( //r2// ) liii sp3 9f cliii s2p2 9i 0.00000( //r2// ) liii sp3 9f cliii sp4 -0.66297( 9f//r2// 3p) liii sp3 9f cliii sp3 4p -1.42132( 9f//r2// 4p) liii sp3 9f cliii sp3 5p -1.58722( 9f//r2// 5p) liii sp3 9f cliii sp3 6p 0.99829( 9f//r2// 6p) liii sp3 9f cliii sp3 7p 15.56643( 9f//r2// 7p) liii sp3 9f cliii sp3 8p 98.83960( 9f//r2// 8p) liii sp3 9f cliii sp3 9p 1070.87710( 9f//r2// 9p) liii sp3 9f cliii sp3 4f 1.28610( 9f//r2// 4f) liii sp3 9f cliii sp3 5f 5.67561( 9f//r2// 5f) liii sp3 9f cliii sp3 6f 20.80408( 9f//r2// 6f) liii sp3 9f cliii sp3 7f 85.14700( 9f//r2// 7f) liii sp3 9f cliii sp3 8f 615.80529( 9f//r2// 8f) liii sp3 9f cliii sp3 9f -2152.24955( 9f//r2// 9f) liii s2p3 cliii s2p2 4s 0.74088( 3p//r1// 4s) liii s2p3 cliii s2p2 5s 0.24917( 3p//r1// 5s) liii s2p3 cliii s2p2 6s 0.14048( 3p//r1// 6s) liii s2p3 cliii s2p2 7s 0.09498( 3p//r1// 7s) liii s2p3 cliii s2p2 8s 0.07038( 3p//r1// 8s) liii s2p3 cliii s2p2 9s 0.05511( 3p//r1// 9s) liii s2p3 cliii s2p2 3d 2.38810( 3p//r1// 3d) liii s2p3 cliii s2p2 4d 0.05900( 3p//r1// 4d) liii s2p3 cliii s2p2 5d -0.03465( 3p//r1// 5d) liii s2p3 cliii s2p2 6d -0.04267( 3p//r1// 6d) liii s2p3 cliii s2p2 7d -0.03905( 3p//r1// 7d) liii s2p3 cliii s2p2 8d -0.03399( 3p//r1// 8d) liii s2p3 cliii s2p2 9d -0.02939( 3p//r1// 9d) liii s2p3 cliii s2p2 5g 0.00000( //r1// ) liii s2p3 cliii s2p2 6g 0.00000( //r1// ) liii s2p3 cliii s2p2 7g 0.00000( //r1// ) liii s2p3 cliii s2p2 8g 0.00000( //r1// ) liii s2p3 cliii s2p2 9g 0.00000( //r1// ) liii s2p3 cliii s2p2 7i 0.00000( //r1// ) liii s2p3 cliii s2p2 8i 0.00000( //r1// ) liii s2p3 cliii s2p2 9i 0.00000( //r1// ) liii s2p3 cliii sp4 1.50271( 3s//r1// 3p) liii s2p3 cliii sp3 4p -0.17631( 3s//r1// 4p) liii s2p3 cliii sp3 5p -0.10226( 3s//r1// 5p) liii s2p3 cliii sp3 6p -0.06874( 3s//r1// 6p) liii s2p3 cliii sp3 7p -0.05046( 3s//r1// 7p) liii s2p3 cliii sp3 8p -0.03917( 3s//r1// 8p) liii s2p3 cliii sp3 9p -0.03159( 3s//r1// 9p) liii s2p3 cliii sp3 4f 0.00000( //r1// ) liii s2p3 cliii sp3 5f 0.00000( //r1// ) liii s2p3 cliii sp3 6f 0.00000( //r1// ) liii s2p3 cliii sp3 7f 0.00000( //r1// ) liii s2p3 cliii sp3 8f 0.00000( //r1// ) liii s2p3 cliii sp3 9f 0.00000( //r1// ) liii s2p2 4p cliii s2p2 4s -3.71900( 4p//r1// 4s) liii s2p2 4p cliii s2p2 5s 2.15528( 4p//r1// 5s) liii s2p2 4p cliii s2p2 6s 0.61984( 4p//r1// 6s) liii s2p2 4p cliii s2p2 7s 0.33738( 4p//r1// 7s) liii s2p2 4p cliii s2p2 8s 0.22541( 4p//r1// 8s) liii s2p2 4p cliii s2p2 9s 0.16646( 4p//r1// 9s) liii s2p2 4p cliii s2p2 3d -2.03706( 4p//r1// 3d) liii s2p2 4p cliii s2p2 4d 5.80298( 4p//r1// 4d) liii s2p2 4p cliii s2p2 5d 0.67996( 4p//r1// 5d) liii s2p2 4p cliii s2p2 6d 0.22637( 4p//r1// 6d) liii s2p2 4p cliii s2p2 7d 0.10417( 4p//r1// 7d) liii s2p2 4p cliii s2p2 8d 0.05615( 4p//r1// 8d) liii s2p2 4p cliii s2p2 9d 0.03320( 4p//r1// 9d) liii s2p2 4p cliii s2p2 5g 0.00000( //r1// ) liii s2p2 4p cliii s2p2 6g 0.00000( //r1// ) liii s2p2 4p cliii s2p2 7g 0.00000( //r1// ) liii s2p2 4p cliii s2p2 8g 0.00000( //r1// ) liii s2p2 4p cliii s2p2 9g 0.00000( //r1// ) liii s2p2 4p cliii s2p2 7i 0.00000( //r1// ) liii s2p2 4p cliii s2p2 8i 0.00000( //r1// ) liii s2p2 4p cliii s2p2 9i 0.00000( //r1// ) liii s2p2 4p cliii sp4 0.00000( //r1// ) liii s2p2 4p cliii sp3 4p 0.00000( //r1// ) liii s2p2 4p cliii sp3 5p 0.00000( //r1// ) liii s2p2 4p cliii sp3 6p 0.00000( //r1// ) liii s2p2 4p cliii sp3 7p 0.00000( //r1// ) liii s2p2 4p cliii sp3 8p 0.00000( //r1// ) liii s2p2 4p cliii sp3 9p 0.00000( //r1// ) liii s2p2 4p cliii sp3 4f 0.00000( //r1// ) liii s2p2 4p cliii sp3 5f 0.00000( //r1// ) liii s2p2 4p cliii sp3 6f 0.00000( //r1// ) liii s2p2 4p cliii sp3 7f 0.00000( //r1// ) liii s2p2 4p cliii sp3 8f 0.00000( //r1// ) liii s2p2 4p cliii sp3 9f 0.00000( //r1// ) liii s2p2 5p cliii s2p2 4s 0.19811( 5p//r1// 4s) liii s2p2 5p cliii s2p2 5s -6.83267( 5p//r1// 5s) liii s2p2 5p cliii s2p2 6s 4.03570( 5p//r1// 6s) liii s2p2 5p cliii s2p2 7s 1.09777( 5p//r1// 7s) liii s2p2 5p cliii s2p2 8s 0.58335( 5p//r1// 8s) liii s2p2 5p cliii s2p2 9s 0.38510( 5p//r1// 9s) liii s2p2 5p cliii s2p2 3d -0.38845( 5p//r1// 3d) liii s2p2 5p cliii s2p2 4d -5.53328( 5p//r1// 4d) liii s2p2 5p cliii s2p2 5d 9.86350( 5p//r1// 5d) liii s2p2 5p cliii s2p2 6d 1.38835( 5p//r1// 6d) liii s2p2 5p cliii s2p2 7d 0.53907( 5p//r1// 7d) liii s2p2 5p cliii s2p2 8d 0.28877( 5p//r1// 8d) liii s2p2 5p cliii s2p2 9d 0.18169( 5p//r1// 9d) liii s2p2 5p cliii s2p2 5g 0.00000( //r1// ) liii s2p2 5p cliii s2p2 6g 0.00000( //r1// ) liii s2p2 5p cliii s2p2 7g 0.00000( //r1// ) liii s2p2 5p cliii s2p2 8g 0.00000( //r1// ) liii s2p2 5p cliii s2p2 9g 0.00000( //r1// ) liii s2p2 5p cliii s2p2 7i 0.00000( //r1// ) liii s2p2 5p cliii s2p2 8i 0.00000( //r1// ) liii s2p2 5p cliii s2p2 9i 0.00000( //r1// ) liii s2p2 5p cliii sp4 0.00000( //r1// ) liii s2p2 5p cliii sp3 4p 0.00000( //r1// ) liii s2p2 5p cliii sp3 5p 0.00000( //r1// ) liii s2p2 5p cliii sp3 6p 0.00000( //r1// ) liii s2p2 5p cliii sp3 7p 0.00000( //r1// ) liii s2p2 5p cliii sp3 8p 0.00000( //r1// ) liii s2p2 5p cliii sp3 9p 0.00000( //r1// ) liii s2p2 5p cliii sp3 4f 0.00000( //r1// ) liii s2p2 5p cliii sp3 5f 0.00000( //r1// ) liii s2p2 5p cliii sp3 6f 0.00000( //r1// ) liii s2p2 5p cliii sp3 7f 0.00000( //r1// ) liii s2p2 5p cliii sp3 8f 0.00000( //r1// ) liii s2p2 5p cliii sp3 9f 0.00000( //r1// ) liii s2p2 6p cliii s2p2 4s 0.15111( 6p//r1// 4s) liii s2p2 6p cliii s2p2 5s 0.21130( 6p//r1// 5s) liii s2p2 6p cliii s2p2 6s -10.84354( 6p//r1// 6s) liii s2p2 6p cliii s2p2 7s 6.42007( 6p//r1// 7s) liii s2p2 6p cliii s2p2 8s 1.69319( 6p//r1// 8s) liii s2p2 6p cliii s2p2 9s 0.88479( 6p//r1// 9s) liii s2p2 6p cliii s2p2 3d -0.19451( 6p//r1// 3d) liii s2p2 6p cliii s2p2 4d -0.79771( 6p//r1// 4d) liii s2p2 6p cliii s2p2 5d -10.01918( 6p//r1// 5d) liii s2p2 6p cliii s2p2 6d 14.85145( 6p//r1// 6d) liii s2p2 6p cliii s2p2 7d 2.24445( 6p//r1// 7d) liii s2p2 6p cliii s2p2 8d 0.92023( 6p//r1// 8d) liii s2p2 6p cliii s2p2 9d 0.51549( 6p//r1// 9d) liii s2p2 6p cliii s2p2 5g 0.00000( //r1// ) liii s2p2 6p cliii s2p2 6g 0.00000( //r1// ) liii s2p2 6p cliii s2p2 7g 0.00000( //r1// ) liii s2p2 6p cliii s2p2 8g 0.00000( //r1// ) liii s2p2 6p cliii s2p2 9g 0.00000( //r1// ) liii s2p2 6p cliii s2p2 7i 0.00000( //r1// ) liii s2p2 6p cliii s2p2 8i 0.00000( //r1// ) liii s2p2 6p cliii s2p2 9i 0.00000( //r1// ) liii s2p2 6p cliii sp4 0.00000( //r1// ) liii s2p2 6p cliii sp3 4p 0.00000( //r1// ) liii s2p2 6p cliii sp3 5p 0.00000( //r1// ) liii s2p2 6p cliii sp3 6p 0.00000( //r1// ) liii s2p2 6p cliii sp3 7p 0.00000( //r1// ) liii s2p2 6p cliii sp3 8p 0.00000( //r1// ) liii s2p2 6p cliii sp3 9p 0.00000( //r1// ) liii s2p2 6p cliii sp3 4f 0.00000( //r1// ) liii s2p2 6p cliii sp3 5f 0.00000( //r1// ) liii s2p2 6p cliii sp3 6f 0.00000( //r1// ) liii s2p2 6p cliii sp3 7f 0.00000( //r1// ) liii s2p2 6p cliii sp3 8f 0.00000( //r1// ) liii s2p2 6p cliii sp3 9f 0.00000( //r1// ) liii s2p2 7p cliii s2p2 4s 0.11146( 7p//r1// 4s) liii s2p2 7p cliii s2p2 5s 0.18985( 7p//r1// 5s) liii s2p2 7p cliii s2p2 6s 0.21139( 7p//r1// 6s) liii s2p2 7p cliii s2p2 7s -15.75490( 7p//r1// 7s) liii s2p2 7p cliii s2p2 8s 9.32713( 7p//r1// 8s) liii s2p2 7p cliii s2p2 9s 2.40783( 7p//r1// 9s) liii s2p2 7p cliii s2p2 3d -0.12453( 7p//r1// 3d) liii s2p2 7p cliii s2p2 4d -0.38132( 7p//r1// 4d) liii s2p2 7p cliii s2p2 5d -1.34494( 7p//r1// 5d) liii s2p2 7p cliii s2p2 6d -15.58509( 7p//r1// 6d) liii s2p2 7p cliii s2p2 7d 20.79306( 7p//r1// 7d) liii s2p2 7p cliii s2p2 8d 3.24914( 7p//r1// 8d) liii s2p2 7p cliii s2p2 9d 1.36626( 7p//r1// 9d) liii s2p2 7p cliii s2p2 5g 0.00000( //r1// ) liii s2p2 7p cliii s2p2 6g 0.00000( //r1// ) liii s2p2 7p cliii s2p2 7g 0.00000( //r1// ) liii s2p2 7p cliii s2p2 8g 0.00000( //r1// ) liii s2p2 7p cliii s2p2 9g 0.00000( //r1// ) liii s2p2 7p cliii s2p2 7i 0.00000( //r1// ) liii s2p2 7p cliii s2p2 8i 0.00000( //r1// ) liii s2p2 7p cliii s2p2 9i 0.00000( //r1// ) liii s2p2 7p cliii sp4 0.00000( //r1// ) liii s2p2 7p cliii sp3 4p 0.00000( //r1// ) liii s2p2 7p cliii sp3 5p 0.00000( //r1// ) liii s2p2 7p cliii sp3 6p 0.00000( //r1// ) liii s2p2 7p cliii sp3 7p 0.00000( //r1// ) liii s2p2 7p cliii sp3 8p 0.00000( //r1// ) liii s2p2 7p cliii sp3 9p 0.00000( //r1// ) liii s2p2 7p cliii sp3 4f 0.00000( //r1// ) liii s2p2 7p cliii sp3 5f 0.00000( //r1// ) liii s2p2 7p cliii sp3 6f 0.00000( //r1// ) liii s2p2 7p cliii sp3 7f 0.00000( //r1// ) liii s2p2 7p cliii sp3 8f 0.00000( //r1// ) liii s2p2 7p cliii sp3 9f 0.00000( //r1// ) liii s2p2 8p cliii s2p2 4s 0.08625( 8p//r1// 4s) liii s2p2 8p cliii s2p2 5s 0.14455( 8p//r1// 5s) liii s2p2 8p cliii s2p2 6s 0.22736( 8p//r1// 6s) liii s2p2 8p cliii s2p2 7s 0.19916( 8p//r1// 7s) liii s2p2 8p cliii s2p2 8s -21.56683( 8p//r1// 8s) liii s2p2 8p cliii s2p2 9s 12.76071( 8p//r1// 9s) liii s2p2 8p cliii s2p2 3d -0.08945( 8p//r1// 3d) liii s2p2 8p cliii s2p2 4d -0.24163( 8p//r1// 4d) liii s2p2 8p cliii s2p2 5d -0.62576( 8p//r1// 5d) liii s2p2 8p cliii s2p2 6d -2.01035( 8p//r1// 6d) liii s2p2 8p cliii s2p2 7d -22.25176( 8p//r1// 7d) liii s2p2 8p cliii s2p2 8d 27.69268( 8p//r1// 8d) liii s2p2 8p cliii s2p2 9d 4.40452( 8p//r1// 9d) liii s2p2 8p cliii s2p2 5g 0.00000( //r1// ) liii s2p2 8p cliii s2p2 6g 0.00000( //r1// ) liii s2p2 8p cliii s2p2 7g 0.00000( //r1// ) liii s2p2 8p cliii s2p2 8g 0.00000( //r1// ) liii s2p2 8p cliii s2p2 9g 0.00000( //r1// ) liii s2p2 8p cliii s2p2 7i 0.00000( //r1// ) liii s2p2 8p cliii s2p2 8i 0.00000( //r1// ) liii s2p2 8p cliii s2p2 9i 0.00000( //r1// ) liii s2p2 8p cliii sp4 0.00000( //r1// ) liii s2p2 8p cliii sp3 4p 0.00000( //r1// ) liii s2p2 8p cliii sp3 5p 0.00000( //r1// ) liii s2p2 8p cliii sp3 6p 0.00000( //r1// ) liii s2p2 8p cliii sp3 7p 0.00000( //r1// ) liii s2p2 8p cliii sp3 8p 0.00000( //r1// ) liii s2p2 8p cliii sp3 9p 0.00000( //r1// ) liii s2p2 8p cliii sp3 4f 0.00000( //r1// ) liii s2p2 8p cliii sp3 5f 0.00000( //r1// ) liii s2p2 8p cliii sp3 6f 0.00000( //r1// ) liii s2p2 8p cliii sp3 7f 0.00000( //r1// ) liii s2p2 8p cliii sp3 8f 0.00000( //r1// ) liii s2p2 8p cliii sp3 9f 0.00000( //r1// ) liii s2p2 9p cliii s2p2 4s 0.06940( 9p//r1// 4s) liii s2p2 9p cliii s2p2 5s 0.11362( 9p//r1// 5s) liii s2p2 9p cliii s2p2 6s 0.17800( 9p//r1// 6s) liii s2p2 9p cliii s2p2 7s 0.26456( 9p//r1// 7s) liii s2p2 9p cliii s2p2 8s 0.17314( 9p//r1// 8s) liii s2p2 9p cliii s2p2 9s -28.27954( 9p//r1// 9s) liii s2p2 9p cliii s2p2 3d -0.06868( 9p//r1// 3d) liii s2p2 9p cliii s2p2 4d -0.17353( 9p//r1// 4d) liii s2p2 9p cliii s2p2 5d -0.39136( 9p//r1// 5d) liii s2p2 9p cliii s2p2 6d -0.91709( 9p//r1// 6d) liii s2p2 9p cliii s2p2 7d -2.79086( 9p//r1// 7d) liii s2p2 9p cliii s2p2 8d -30.02893( 9p//r1// 8d) liii s2p2 9p cliii s2p2 9d 35.55073( 9p//r1// 9d) liii s2p2 9p cliii s2p2 5g 0.00000( //r1// ) liii s2p2 9p cliii s2p2 6g 0.00000( //r1// ) liii s2p2 9p cliii s2p2 7g 0.00000( //r1// ) liii s2p2 9p cliii s2p2 8g 0.00000( //r1// ) liii s2p2 9p cliii s2p2 9g 0.00000( //r1// ) liii s2p2 9p cliii s2p2 7i 0.00000( //r1// ) liii s2p2 9p cliii s2p2 8i 0.00000( //r1// ) liii s2p2 9p cliii s2p2 9i 0.00000( //r1// ) liii s2p2 9p cliii sp4 0.00000( //r1// ) liii s2p2 9p cliii sp3 4p 0.00000( //r1// ) liii s2p2 9p cliii sp3 5p 0.00000( //r1// ) liii s2p2 9p cliii sp3 6p 0.00000( //r1// ) liii s2p2 9p cliii sp3 7p 0.00000( //r1// ) liii s2p2 9p cliii sp3 8p 0.00000( //r1// ) liii s2p2 9p cliii sp3 9p 0.00000( //r1// ) liii s2p2 9p cliii sp3 4f 0.00000( //r1// ) liii s2p2 9p cliii sp3 5f 0.00000( //r1// ) liii s2p2 9p cliii sp3 6f 0.00000( //r1// ) liii s2p2 9p cliii sp3 7f 0.00000( //r1// ) liii s2p2 9p cliii sp3 8f 0.00000( //r1// ) liii s2p2 9p cliii sp3 9f 0.00000( //r1// ) liii s2p2 4f cliii s2p2 4s 0.00000( //r1// ) liii s2p2 4f cliii s2p2 5s 0.00000( //r1// ) liii s2p2 4f cliii s2p2 6s 0.00000( //r1// ) liii s2p2 4f cliii s2p2 7s 0.00000( //r1// ) liii s2p2 4f cliii s2p2 8s 0.00000( //r1// ) liii s2p2 4f cliii s2p2 9s 0.00000( //r1// ) liii s2p2 4f cliii s2p2 3d 2.55183( 4f//r1// 3d) liii s2p2 4f cliii s2p2 4d -9.25217( 4f//r1// 4d) liii s2p2 4f cliii s2p2 5d 4.37568( 4f//r1// 5d) liii s2p2 4f cliii s2p2 6d 0.89970( 4f//r1// 6d) liii s2p2 4f cliii s2p2 7d 0.43628( 4f//r1// 7d) liii s2p2 4f cliii s2p2 8d 0.27458( 4f//r1// 8d) liii s2p2 4f cliii s2p2 9d 0.19584( 4f//r1// 9d) liii s2p2 4f cliii s2p2 5g -11.25526( 4f//r1// 5g) liii s2p2 4f cliii s2p2 6g -3.57386( 4f//r1// 6g) liii s2p2 4f cliii s2p2 7g -1.88976( 4f//r1// 7g) liii s2p2 4f cliii s2p2 8g -1.22552( 4f//r1// 8g) liii s2p2 4f cliii s2p2 9g -0.88490( 4f//r1// 9g) liii s2p2 4f cliii s2p2 7i 0.00000( //r1// ) liii s2p2 4f cliii s2p2 8i 0.00000( //r1// ) liii s2p2 4f cliii s2p2 9i 0.00000( //r1// ) liii s2p2 4f cliii sp4 0.00000( //r1// ) liii s2p2 4f cliii sp3 4p 0.00000( //r1// ) liii s2p2 4f cliii sp3 5p 0.00000( //r1// ) liii s2p2 4f cliii sp3 6p 0.00000( //r1// ) liii s2p2 4f cliii sp3 7p 0.00000( //r1// ) liii s2p2 4f cliii sp3 8p 0.00000( //r1// ) liii s2p2 4f cliii sp3 9p 0.00000( //r1// ) liii s2p2 4f cliii sp3 4f 0.00000( //r1// ) liii s2p2 4f cliii sp3 5f 0.00000( //r1// ) liii s2p2 4f cliii sp3 6f 0.00000( //r1// ) liii s2p2 4f cliii sp3 7f 0.00000( //r1// ) liii s2p2 4f cliii sp3 8f 0.00000( //r1// ) liii s2p2 4f cliii sp3 9f 0.00000( //r1// ) liii s2p2 5f cliii s2p2 4s 0.00000( //r1// ) liii s2p2 5f cliii s2p2 5s 0.00000( //r1// ) liii s2p2 5f cliii s2p2 6s 0.00000( //r1// ) liii s2p2 5f cliii s2p2 7s 0.00000( //r1// ) liii s2p2 5f cliii s2p2 8s 0.00000( //r1// ) liii s2p2 5f cliii s2p2 9s 0.00000( //r1// ) liii s2p2 5f cliii s2p2 3d 1.46052( 5f//r1// 3d) liii s2p2 5f cliii s2p2 4d 2.05970( 5f//r1// 4d) liii s2p2 5f cliii s2p2 5d -16.40437( 5f//r1// 5d) liii s2p2 5f cliii s2p2 6d 8.31003( 5f//r1// 6d) liii s2p2 5f cliii s2p2 7d 1.80557( 5f//r1// 7d) liii s2p2 5f cliii s2p2 8d 0.88294( 5f//r1// 8d) liii s2p2 5f cliii s2p2 9d 0.55641( 5f//r1// 9d) liii s2p2 5f cliii s2p2 5g 15.39779( 5f//r1// 5g) liii s2p2 5f cliii s2p2 6g -13.30534( 5f//r1// 6g) liii s2p2 5f cliii s2p2 7g -5.11340( 5f//r1// 7g) liii s2p2 5f cliii s2p2 8g -2.90548( 5f//r1// 8g) liii s2p2 5f cliii s2p2 9g -1.95517( 5f//r1// 9g) liii s2p2 5f cliii s2p2 7i 0.00000( //r1// ) liii s2p2 5f cliii s2p2 8i 0.00000( //r1// ) liii s2p2 5f cliii s2p2 9i 0.00000( //r1// ) liii s2p2 5f cliii sp4 0.00000( //r1// ) liii s2p2 5f cliii sp3 4p 0.00000( //r1// ) liii s2p2 5f cliii sp3 5p 0.00000( //r1// ) liii s2p2 5f cliii sp3 6p 0.00000( //r1// ) liii s2p2 5f cliii sp3 7p 0.00000( //r1// ) liii s2p2 5f cliii sp3 8p 0.00000( //r1// ) liii s2p2 5f cliii sp3 9p 0.00000( //r1// ) liii s2p2 5f cliii sp3 4f 0.00000( //r1// ) liii s2p2 5f cliii sp3 5f 0.00000( //r1// ) liii s2p2 5f cliii sp3 6f 0.00000( //r1// ) liii s2p2 5f cliii sp3 7f 0.00000( //r1// ) liii s2p2 5f cliii sp3 8f 0.00000( //r1// ) liii s2p2 5f cliii sp3 9f 0.00000( //r1// ) liii s2p2 6f cliii s2p2 4s 0.00000( //r1// ) liii s2p2 6f cliii s2p2 5s 0.00000( //r1// ) liii s2p2 6f cliii s2p2 6s 0.00000( //r1// ) liii s2p2 6f cliii s2p2 7s 0.00000( //r1// ) liii s2p2 6f cliii s2p2 8s 0.00000( //r1// ) liii s2p2 6f cliii s2p2 9s 0.00000( //r1// ) liii s2p2 6f cliii s2p2 3d 0.97310( 6f//r1// 3d) liii s2p2 6f cliii s2p2 4d 1.43529( 6f//r1// 4d) liii s2p2 6f cliii s2p2 5d 1.98273( 6f//r1// 5d) liii s2p2 6f cliii s2p2 6d -24.98507( 6f//r1// 6d) liii s2p2 6f cliii s2p2 7d 13.05270( 6f//r1// 7d) liii s2p2 6f cliii s2p2 8d 2.90796( 6f//r1// 8d) liii s2p2 6f cliii s2p2 9d 1.42507( 6f//r1// 9d) liii s2p2 6f cliii s2p2 5g -2.20796( 6f//r1// 5g) liii s2p2 6f cliii s2p2 6g 27.48702( 6f//r1// 6g) liii s2p2 6f cliii s2p2 7g -15.49695( 6f//r1// 7g) liii s2p2 6f cliii s2p2 8g -6.40836( 6f//r1// 8g) liii s2p2 6f cliii s2p2 9g -3.76419( 6f//r1// 9g) liii s2p2 6f cliii s2p2 7i 0.00000( //r1// ) liii s2p2 6f cliii s2p2 8i 0.00000( //r1// ) liii s2p2 6f cliii s2p2 9i 0.00000( //r1// ) liii s2p2 6f cliii sp4 0.00000( //r1// ) liii s2p2 6f cliii sp3 4p 0.00000( //r1// ) liii s2p2 6f cliii sp3 5p 0.00000( //r1// ) liii s2p2 6f cliii sp3 6p 0.00000( //r1// ) liii s2p2 6f cliii sp3 7p 0.00000( //r1// ) liii s2p2 6f cliii sp3 8p 0.00000( //r1// ) liii s2p2 6f cliii sp3 9p 0.00000( //r1// ) liii s2p2 6f cliii sp3 4f 0.00000( //r1// ) liii s2p2 6f cliii sp3 5f 0.00000( //r1// ) liii s2p2 6f cliii sp3 6f 0.00000( //r1// ) liii s2p2 6f cliii sp3 7f 0.00000( //r1// ) liii s2p2 6f cliii sp3 8f 0.00000( //r1// ) liii s2p2 6f cliii sp3 9f 0.00000( //r1// ) liii s2p2 7f cliii s2p2 4s 0.00000( //r1// ) liii s2p2 7f cliii s2p2 5s 0.00000( //r1// ) liii s2p2 7f cliii s2p2 6s 0.00000( //r1// ) liii s2p2 7f cliii s2p2 7s 0.00000( //r1// ) liii s2p2 7f cliii s2p2 8s 0.00000( //r1// ) liii s2p2 7f cliii s2p2 9s 0.00000( //r1// ) liii s2p2 7f cliii s2p2 3d 0.70885( 7f//r1// 3d) liii s2p2 7f cliii s2p2 4d 1.02984( 7f//r1// 4d) liii s2p2 7f cliii s2p2 5d 1.53287( 7f//r1// 5d) liii s2p2 7f cliii s2p2 6d 1.91509( 7f//r1// 6d) liii s2p2 7f cliii s2p2 7d -35.07222( 7f//r1// 7d) liii s2p2 7f cliii s2p2 8d 18.70556( 7f//r1// 8d) liii s2p2 7f cliii s2p2 9d 4.21411( 7f//r1// 9d) liii s2p2 7f cliii s2p2 5g -0.69387( 7f//r1// 5g) liii s2p2 7f cliii s2p2 6g -4.73380( 7f//r1// 6g) liii s2p2 7f cliii s2p2 7g 41.04044( 7f//r1// 7g) liii s2p2 7f cliii s2p2 8g -17.91115( 7f//r1// 8g) liii s2p2 7f cliii s2p2 9g -7.66223( 7f//r1// 9g) liii s2p2 7f cliii s2p2 7i 0.00000( //r1// ) liii s2p2 7f cliii s2p2 8i 0.00000( //r1// ) liii s2p2 7f cliii s2p2 9i 0.00000( //r1// ) liii s2p2 7f cliii sp4 0.00000( //r1// ) liii s2p2 7f cliii sp3 4p 0.00000( //r1// ) liii s2p2 7f cliii sp3 5p 0.00000( //r1// ) liii s2p2 7f cliii sp3 6p 0.00000( //r1// ) liii s2p2 7f cliii sp3 7p 0.00000( //r1// ) liii s2p2 7f cliii sp3 8p 0.00000( //r1// ) liii s2p2 7f cliii sp3 9p 0.00000( //r1// ) liii s2p2 7f cliii sp3 4f 0.00000( //r1// ) liii s2p2 7f cliii sp3 5f 0.00000( //r1// ) liii s2p2 7f cliii sp3 6f 0.00000( //r1// ) liii s2p2 7f cliii sp3 7f 0.00000( //r1// ) liii s2p2 7f cliii sp3 8f 0.00000( //r1// ) liii s2p2 7f cliii sp3 9f 0.00000( //r1// ) liii s2p2 8f cliii s2p2 4s 0.00000( //r1// ) liii s2p2 8f cliii s2p2 5s 0.00000( //r1// ) liii s2p2 8f cliii s2p2 6s 0.00000( //r1// ) liii s2p2 8f cliii s2p2 7s 0.00000( //r1// ) liii s2p2 8f cliii s2p2 8s 0.00000( //r1// ) liii s2p2 8f cliii s2p2 9s 0.00000( //r1// ) liii s2p2 8f cliii s2p2 3d 0.54707( 8f//r1// 3d) liii s2p2 8f cliii s2p2 4d 0.78433( 8f//r1// 4d) liii s2p2 8f cliii s2p2 5d 1.14134( 8f//r1// 5d) liii s2p2 8f cliii s2p2 6d 1.61854( 8f//r1// 6d) liii s2p2 8f cliii s2p2 7d 1.81442( 8f//r1// 7d) liii s2p2 8f cliii s2p2 8d -46.67753( 8f//r1// 8d) liii s2p2 8f cliii s2p2 9d 25.30566( 8f//r1// 9d) liii s2p2 8f cliii s2p2 5g -0.36599( 8f//r1// 5g) liii s2p2 8f cliii s2p2 6g -1.47960( 8f//r1// 6g) liii s2p2 8f cliii s2p2 7g -7.93534( 8f//r1// 7g) liii s2p2 8f cliii s2p2 8g 56.35831( 8f//r1// 8g) liii s2p2 8f cliii s2p2 9g -20.57107( 8f//r1// 9g) liii s2p2 8f cliii s2p2 7i 0.00000( //r1// ) liii s2p2 8f cliii s2p2 8i 0.00000( //r1// ) liii s2p2 8f cliii s2p2 9i 0.00000( //r1// ) liii s2p2 8f cliii sp4 0.00000( //r1// ) liii s2p2 8f cliii sp3 4p 0.00000( //r1// ) liii s2p2 8f cliii sp3 5p 0.00000( //r1// ) liii s2p2 8f cliii sp3 6p 0.00000( //r1// ) liii s2p2 8f cliii sp3 7p 0.00000( //r1// ) liii s2p2 8f cliii sp3 8p 0.00000( //r1// ) liii s2p2 8f cliii sp3 9p 0.00000( //r1// ) liii s2p2 8f cliii sp3 4f 0.00000( //r1// ) liii s2p2 8f cliii sp3 5f 0.00000( //r1// ) liii s2p2 8f cliii sp3 6f 0.00000( //r1// ) liii s2p2 8f cliii sp3 7f 0.00000( //r1// ) liii s2p2 8f cliii sp3 8f 0.00000( //r1// ) liii s2p2 8f cliii sp3 9f 0.00000( //r1// ) liii s2p2 9f cliii s2p2 4s 0.00000( //r1// ) liii s2p2 9f cliii s2p2 5s 0.00000( //r1// ) liii s2p2 9f cliii s2p2 6s 0.00000( //r1// ) liii s2p2 9f cliii s2p2 7s 0.00000( //r1// ) liii s2p2 9f cliii s2p2 8s 0.00000( //r1// ) liii s2p2 9f cliii s2p2 9s 0.00000( //r1// ) liii s2p2 9f cliii s2p2 3d 0.43954( 9f//r1// 3d) liii s2p2 9f cliii s2p2 4d 0.62454( 9f//r1// 4d) liii s2p2 9f cliii s2p2 5d 0.88872( 9f//r1// 5d) liii s2p2 9f cliii s2p2 6d 1.23619( 9f//r1// 6d) liii s2p2 9f cliii s2p2 7d 1.68944( 9f//r1// 7d) liii s2p2 9f cliii s2p2 8d 1.66915( 9f//r1// 8d) liii s2p2 9f cliii s2p2 9d -59.80456( 9f//r1// 9d) liii s2p2 9f cliii s2p2 5g -0.23724( 9f//r1// 5g) liii s2p2 9f cliii s2p2 6g -0.77695( 9f//r1// 6g) liii s2p2 9f cliii s2p2 7g -2.46962( 9f//r1// 7g) liii s2p2 9f cliii s2p2 8g -11.81045( 9f//r1// 8g) liii s2p2 9f cliii s2p2 9g 73.53975( 9f//r1// 9g) liii s2p2 9f cliii s2p2 7i 0.00000( //r1// ) liii s2p2 9f cliii s2p2 8i 0.00000( //r1// ) liii s2p2 9f cliii s2p2 9i 0.00000( //r1// ) liii s2p2 9f cliii sp4 0.00000( //r1// ) liii s2p2 9f cliii sp3 4p 0.00000( //r1// ) liii s2p2 9f cliii sp3 5p 0.00000( //r1// ) liii s2p2 9f cliii sp3 6p 0.00000( //r1// ) liii s2p2 9f cliii sp3 7p 0.00000( //r1// ) liii s2p2 9f cliii sp3 8p 0.00000( //r1// ) liii s2p2 9f cliii sp3 9p 0.00000( //r1// ) liii s2p2 9f cliii sp3 4f 0.00000( //r1// ) liii s2p2 9f cliii sp3 5f 0.00000( //r1// ) liii s2p2 9f cliii sp3 6f 0.00000( //r1// ) liii s2p2 9f cliii sp3 7f 0.00000( //r1// ) liii s2p2 9f cliii sp3 8f 0.00000( //r1// ) liii s2p2 9f cliii sp3 9f 0.00000( //r1// ) liii s2p2 6h cliii s2p2 4s 0.00000( //r1// ) liii s2p2 6h cliii s2p2 5s 0.00000( //r1// ) liii s2p2 6h cliii s2p2 6s 0.00000( //r1// ) liii s2p2 6h cliii s2p2 7s 0.00000( //r1// ) liii s2p2 6h cliii s2p2 8s 0.00000( //r1// ) liii s2p2 6h cliii s2p2 9s 0.00000( //r1// ) liii s2p2 6h cliii s2p2 3d 0.00000( //r1// ) liii s2p2 6h cliii s2p2 4d 0.00000( //r1// ) liii s2p2 6h cliii s2p2 5d 0.00000( //r1// ) liii s2p2 6h cliii s2p2 6d 0.00000( //r1// ) liii s2p2 6h cliii s2p2 7d 0.00000( //r1// ) liii s2p2 6h cliii s2p2 8d 0.00000( //r1// ) liii s2p2 6h cliii s2p2 9d 0.00000( //r1// ) liii s2p2 6h cliii s2p2 5g 20.24479( 6h//r1// 5g) liii s2p2 6h cliii s2p2 6g -22.29162( 6h//r1// 6g) liii s2p2 6h cliii s2p2 7g 1.84763( 6h//r1// 7g) liii s2p2 6h cliii s2p2 8g 0.54984( 6h//r1// 8g) liii s2p2 6h cliii s2p2 9g 0.27403( 6h//r1// 9g) liii s2p2 6h cliii s2p2 7i -31.60512( 6h//r1// 7i) liii s2p2 6h cliii s2p2 8i -8.08914( 6h//r1// 8i) liii s2p2 6h cliii s2p2 9i -3.76957( 6h//r1// 9i) liii s2p2 6h cliii sp4 0.00000( //r1// ) liii s2p2 6h cliii sp3 4p 0.00000( //r1// ) liii s2p2 6h cliii sp3 5p 0.00000( //r1// ) liii s2p2 6h cliii sp3 6p 0.00000( //r1// ) liii s2p2 6h cliii sp3 7p 0.00000( //r1// ) liii s2p2 6h cliii sp3 8p 0.00000( //r1// ) liii s2p2 6h cliii sp3 9p 0.00000( //r1// ) liii s2p2 6h cliii sp3 4f 0.00000( //r1// ) liii s2p2 6h cliii sp3 5f 0.00000( //r1// ) liii s2p2 6h cliii sp3 6f 0.00000( //r1// ) liii s2p2 6h cliii sp3 7f 0.00000( //r1// ) liii s2p2 6h cliii sp3 8f 0.00000( //r1// ) liii s2p2 6h cliii sp3 9f 0.00000( //r1// ) liii s2p2 7h cliii s2p2 4s 0.00000( //r1// ) liii s2p2 7h cliii s2p2 5s 0.00000( //r1// ) liii s2p2 7h cliii s2p2 6s 0.00000( //r1// ) liii s2p2 7h cliii s2p2 7s 0.00000( //r1// ) liii s2p2 7h cliii s2p2 8s 0.00000( //r1// ) liii s2p2 7h cliii s2p2 9s 0.00000( //r1// ) liii s2p2 7h cliii s2p2 3d 0.00000( //r1// ) liii s2p2 7h cliii s2p2 4d 0.00000( //r1// ) liii s2p2 7h cliii s2p2 5d 0.00000( //r1// ) liii s2p2 7h cliii s2p2 6d 0.00000( //r1// ) liii s2p2 7h cliii s2p2 7d 0.00000( //r1// ) liii s2p2 7h cliii s2p2 8d 0.00000( //r1// ) liii s2p2 7h cliii s2p2 9d 0.00000( //r1// ) liii s2p2 7h cliii s2p2 5g 5.56777( 7h//r1// 5g) liii s2p2 7h cliii s2p2 6g 24.48794( 7h//r1// 6g) liii s2p2 7h cliii s2p2 7g -38.43642( 7h//r1// 7g) liii s2p2 7h cliii s2p2 8g 3.82245( 7h//r1// 8g) liii s2p2 7h cliii s2p2 9g 1.18016( 7h//r1// 9g) liii s2p2 7h cliii s2p2 7i 30.91320( 7h//r1// 7i) liii s2p2 7h cliii s2p2 8i -37.19606( 7h//r1// 8i) liii s2p2 7h cliii s2p2 9i -11.63600( 7h//r1// 9i) liii s2p2 7h cliii sp4 0.00000( //r1// ) liii s2p2 7h cliii sp3 4p 0.00000( //r1// ) liii s2p2 7h cliii sp3 5p 0.00000( //r1// ) liii s2p2 7h cliii sp3 6p 0.00000( //r1// ) liii s2p2 7h cliii sp3 7p 0.00000( //r1// ) liii s2p2 7h cliii sp3 8p 0.00000( //r1// ) liii s2p2 7h cliii sp3 9p 0.00000( //r1// ) liii s2p2 7h cliii sp3 4f 0.00000( //r1// ) liii s2p2 7h cliii sp3 5f 0.00000( //r1// ) liii s2p2 7h cliii sp3 6f 0.00000( //r1// ) liii s2p2 7h cliii sp3 7f 0.00000( //r1// ) liii s2p2 7h cliii sp3 8f 0.00000( //r1// ) liii s2p2 7h cliii sp3 9f 0.00000( //r1// ) liii s2p2 8h cliii s2p2 4s 0.00000( //r1// ) liii s2p2 8h cliii s2p2 5s 0.00000( //r1// ) liii s2p2 8h cliii s2p2 6s 0.00000( //r1// ) liii s2p2 8h cliii s2p2 7s 0.00000( //r1// ) liii s2p2 8h cliii s2p2 8s 0.00000( //r1// ) liii s2p2 8h cliii s2p2 9s 0.00000( //r1// ) liii s2p2 8h cliii s2p2 3d 0.00000( //r1// ) liii s2p2 8h cliii s2p2 4d 0.00000( //r1// ) liii s2p2 8h cliii s2p2 5d 0.00000( //r1// ) liii s2p2 8h cliii s2p2 6d 0.00000( //r1// ) liii s2p2 8h cliii s2p2 7d 0.00000( //r1// ) liii s2p2 8h cliii s2p2 8d 0.00000( //r1// ) liii s2p2 8h cliii s2p2 9d 0.00000( //r1// ) liii s2p2 8h cliii s2p2 5g 2.72500( 8h//r1// 5g) liii s2p2 8h cliii s2p2 6g 8.10396( 8h//r1// 6g) liii s2p2 8h cliii s2p2 7g 29.20260( 8h//r1// 7g) liii s2p2 8h cliii s2p2 8g -56.01279( 8h//r1// 8g) liii s2p2 8h cliii s2p2 9g 6.29633( 8h//r1// 9g) liii s2p2 8h cliii s2p2 7i -2.23236( 8h//r1// 7i) liii s2p2 8h cliii s2p2 8i 51.85106( 8h//r1// 8i) liii s2p2 8h cliii s2p2 9i -43.38802( 8h//r1// 9i) liii s2p2 8h cliii sp4 0.00000( //r1// ) liii s2p2 8h cliii sp3 4p 0.00000( //r1// ) liii s2p2 8h cliii sp3 5p 0.00000( //r1// ) liii s2p2 8h cliii sp3 6p 0.00000( //r1// ) liii s2p2 8h cliii sp3 7p 0.00000( //r1// ) liii s2p2 8h cliii sp3 8p 0.00000( //r1// ) liii s2p2 8h cliii sp3 9p 0.00000( //r1// ) liii s2p2 8h cliii sp3 4f 0.00000( //r1// ) liii s2p2 8h cliii sp3 5f 0.00000( //r1// ) liii s2p2 8h cliii sp3 6f 0.00000( //r1// ) liii s2p2 8h cliii sp3 7f 0.00000( //r1// ) liii s2p2 8h cliii sp3 8f 0.00000( //r1// ) liii s2p2 8h cliii sp3 9f 0.00000( //r1// ) liii s2p2 9h cliii s2p2 4s 0.00000( //r1// ) liii s2p2 9h cliii s2p2 5s 0.00000( //r1// ) liii s2p2 9h cliii s2p2 6s 0.00000( //r1// ) liii s2p2 9h cliii s2p2 7s 0.00000( //r1// ) liii s2p2 9h cliii s2p2 8s 0.00000( //r1// ) liii s2p2 9h cliii s2p2 9s 0.00000( //r1// ) liii s2p2 9h cliii s2p2 3d 0.00000( //r1// ) liii s2p2 9h cliii s2p2 4d 0.00000( //r1// ) liii s2p2 9h cliii s2p2 5d 0.00000( //r1// ) liii s2p2 9h cliii s2p2 6d 0.00000( //r1// ) liii s2p2 9h cliii s2p2 7d 0.00000( //r1// ) liii s2p2 9h cliii s2p2 8d 0.00000( //r1// ) liii s2p2 9h cliii s2p2 9d 0.00000( //r1// ) liii s2p2 9h cliii s2p2 5g 1.68459( 9h//r1// 5g) liii s2p2 9h cliii s2p2 6g 4.26880( 9h//r1// 6g) liii s2p2 9h cliii s2p2 7g 10.38351( 9h//r1// 7g) liii s2p2 9h cliii s2p2 8g 34.37380( 9h//r1// 8g) liii s2p2 9h cliii s2p2 9g -75.51959( 9h//r1// 9g) liii s2p2 9h cliii s2p2 7i -0.61999( 9h//r1// 7i) liii s2p2 9h cliii s2p2 8i -4.48310( 9h//r1// 8i) liii s2p2 9h cliii s2p2 9i 73.95233( 9h//r1// 9i) liii s2p2 9h cliii sp4 0.00000( //r1// ) liii s2p2 9h cliii sp3 4p 0.00000( //r1// ) liii s2p2 9h cliii sp3 5p 0.00000( //r1// ) liii s2p2 9h cliii sp3 6p 0.00000( //r1// ) liii s2p2 9h cliii sp3 7p 0.00000( //r1// ) liii s2p2 9h cliii sp3 8p 0.00000( //r1// ) liii s2p2 9h cliii sp3 9p 0.00000( //r1// ) liii s2p2 9h cliii sp3 4f 0.00000( //r1// ) liii s2p2 9h cliii sp3 5f 0.00000( //r1// ) liii s2p2 9h cliii sp3 6f 0.00000( //r1// ) liii s2p2 9h cliii sp3 7f 0.00000( //r1// ) liii s2p2 9h cliii sp3 8f 0.00000( //r1// ) liii s2p2 9h cliii sp3 9f 0.00000( //r1// ) liii s2p2 8k cliii s2p2 4s 0.00000( //r1// ) liii s2p2 8k cliii s2p2 5s 0.00000( //r1// ) liii s2p2 8k cliii s2p2 6s 0.00000( //r1// ) liii s2p2 8k cliii s2p2 7s 0.00000( //r1// ) liii s2p2 8k cliii s2p2 8s 0.00000( //r1// ) liii s2p2 8k cliii s2p2 9s 0.00000( //r1// ) liii s2p2 8k cliii s2p2 3d 0.00000( //r1// ) liii s2p2 8k cliii s2p2 4d 0.00000( //r1// ) liii s2p2 8k cliii s2p2 5d 0.00000( //r1// ) liii s2p2 8k cliii s2p2 6d 0.00000( //r1// ) liii s2p2 8k cliii s2p2 7d 0.00000( //r1// ) liii s2p2 8k cliii s2p2 8d 0.00000( //r1// ) liii s2p2 8k cliii s2p2 9d 0.00000( //r1// ) liii s2p2 8k cliii s2p2 5g 0.00000( //r1// ) liii s2p2 8k cliii s2p2 6g 0.00000( //r1// ) liii s2p2 8k cliii s2p2 7g 0.00000( //r1// ) liii s2p2 8k cliii s2p2 8g 0.00000( //r1// ) liii s2p2 8k cliii s2p2 9g 0.00000( //r1// ) liii s2p2 8k cliii s2p2 7i 46.04218( 8k//r1// 7i) liii s2p2 8k cliii s2p2 8i -40.98785( 8k//r1// 8i) liii s2p2 8k cliii s2p2 9i 2.72025( 8k//r1// 9i) liii s2p2 8k cliii sp4 0.00000( //r1// ) liii s2p2 8k cliii sp3 4p 0.00000( //r1// ) liii s2p2 8k cliii sp3 5p 0.00000( //r1// ) liii s2p2 8k cliii sp3 6p 0.00000( //r1// ) liii s2p2 8k cliii sp3 7p 0.00000( //r1// ) liii s2p2 8k cliii sp3 8p 0.00000( //r1// ) liii s2p2 8k cliii sp3 9p 0.00000( //r1// ) liii s2p2 8k cliii sp3 4f 0.00000( //r1// ) liii s2p2 8k cliii sp3 5f 0.00000( //r1// ) liii s2p2 8k cliii sp3 6f 0.00000( //r1// ) liii s2p2 8k cliii sp3 7f 0.00000( //r1// ) liii s2p2 8k cliii sp3 8f 0.00000( //r1// ) liii s2p2 8k cliii sp3 9f 0.00000( //r1// ) liii s2p2 9k cliii s2p2 4s 0.00000( //r1// ) liii s2p2 9k cliii s2p2 5s 0.00000( //r1// ) liii s2p2 9k cliii s2p2 6s 0.00000( //r1// ) liii s2p2 9k cliii s2p2 7s 0.00000( //r1// ) liii s2p2 9k cliii s2p2 8s 0.00000( //r1// ) liii s2p2 9k cliii s2p2 9s 0.00000( //r1// ) liii s2p2 9k cliii s2p2 3d 0.00000( //r1// ) liii s2p2 9k cliii s2p2 4d 0.00000( //r1// ) liii s2p2 9k cliii s2p2 5d 0.00000( //r1// ) liii s2p2 9k cliii s2p2 6d 0.00000( //r1// ) liii s2p2 9k cliii s2p2 7d 0.00000( //r1// ) liii s2p2 9k cliii s2p2 8d 0.00000( //r1// ) liii s2p2 9k cliii s2p2 9d 0.00000( //r1// ) liii s2p2 9k cliii s2p2 5g 0.00000( //r1// ) liii s2p2 9k cliii s2p2 6g 0.00000( //r1// ) liii s2p2 9k cliii s2p2 7g 0.00000( //r1// ) liii s2p2 9k cliii s2p2 8g 0.00000( //r1// ) liii s2p2 9k cliii s2p2 9g 0.00000( //r1// ) liii s2p2 9k cliii s2p2 7i 11.09121( 9k//r1// 7i) liii s2p2 9k cliii s2p2 8i 52.97124( 9k//r1// 8i) liii s2p2 9k cliii s2p2 9i -67.34994( 9k//r1// 9i) liii s2p2 9k cliii sp4 0.00000( //r1// ) liii s2p2 9k cliii sp3 4p 0.00000( //r1// ) liii s2p2 9k cliii sp3 5p 0.00000( //r1// ) liii s2p2 9k cliii sp3 6p 0.00000( //r1// ) liii s2p2 9k cliii sp3 7p 0.00000( //r1// ) liii s2p2 9k cliii sp3 8p 0.00000( //r1// ) liii s2p2 9k cliii sp3 9p 0.00000( //r1// ) liii s2p2 9k cliii sp3 4f 0.00000( //r1// ) liii s2p2 9k cliii sp3 5f 0.00000( //r1// ) liii s2p2 9k cliii sp3 6f 0.00000( //r1// ) liii s2p2 9k cliii sp3 7f 0.00000( //r1// ) liii s2p2 9k cliii sp3 8f 0.00000( //r1// ) liii s2p2 9k cliii sp3 9f 0.00000( //r1// ) liii sp3 4s cliii s2p2 4s 0.00000( //r1// ) liii sp3 4s cliii s2p2 5s 0.00000( //r1// ) liii sp3 4s cliii s2p2 6s 0.00000( //r1// ) liii sp3 4s cliii s2p2 7s 0.00000( //r1// ) liii sp3 4s cliii s2p2 8s 0.00000( //r1// ) liii sp3 4s cliii s2p2 9s 0.00000( //r1// ) liii sp3 4s cliii s2p2 3d 0.00000( //r1// ) liii sp3 4s cliii s2p2 4d 0.00000( //r1// ) liii sp3 4s cliii s2p2 5d 0.00000( //r1// ) liii sp3 4s cliii s2p2 6d 0.00000( //r1// ) liii sp3 4s cliii s2p2 7d 0.00000( //r1// ) liii sp3 4s cliii s2p2 8d 0.00000( //r1// ) liii sp3 4s cliii s2p2 9d 0.00000( //r1// ) liii sp3 4s cliii s2p2 5g 0.00000( //r1// ) liii sp3 4s cliii s2p2 6g 0.00000( //r1// ) liii sp3 4s cliii s2p2 7g 0.00000( //r1// ) liii sp3 4s cliii s2p2 8g 0.00000( //r1// ) liii sp3 4s cliii s2p2 9g 0.00000( //r1// ) liii sp3 4s cliii s2p2 7i 0.00000( //r1// ) liii sp3 4s cliii s2p2 8i 0.00000( //r1// ) liii sp3 4s cliii s2p2 9i 0.00000( //r1// ) liii sp3 4s cliii sp4 -0.73201( 4s//r1// 3p) liii sp3 4s cliii sp3 4p 3.69806( 4s//r1// 4p) liii sp3 4s cliii sp3 5p -0.20000( 4s//r1// 5p) liii sp3 4s cliii sp3 6p -0.15204( 4s//r1// 6p) liii sp3 4s cliii sp3 7p -0.11195( 4s//r1// 7p) liii sp3 4s cliii sp3 8p -0.08653( 4s//r1// 8p) liii sp3 4s cliii sp3 9p -0.06957( 4s//r1// 9p) liii sp3 4s cliii sp3 4f 0.00000( //r1// ) liii sp3 4s cliii sp3 5f 0.00000( //r1// ) liii sp3 4s cliii sp3 6f 0.00000( //r1// ) liii sp3 4s cliii sp3 7f 0.00000( //r1// ) liii sp3 4s cliii sp3 8f 0.00000( //r1// ) liii sp3 4s cliii sp3 9f 0.00000( //r1// ) liii sp3 5s cliii s2p2 4s 0.00000( //r1// ) liii sp3 5s cliii s2p2 5s 0.00000( //r1// ) liii sp3 5s cliii s2p2 6s 0.00000( //r1// ) liii sp3 5s cliii s2p2 7s 0.00000( //r1// ) liii sp3 5s cliii s2p2 8s 0.00000( //r1// ) liii sp3 5s cliii s2p2 9s 0.00000( //r1// ) liii sp3 5s cliii s2p2 3d 0.00000( //r1// ) liii sp3 5s cliii s2p2 4d 0.00000( //r1// ) liii sp3 5s cliii s2p2 5d 0.00000( //r1// ) liii sp3 5s cliii s2p2 6d 0.00000( //r1// ) liii sp3 5s cliii s2p2 7d 0.00000( //r1// ) liii sp3 5s cliii s2p2 8d 0.00000( //r1// ) liii sp3 5s cliii s2p2 9d 0.00000( //r1// ) liii sp3 5s cliii s2p2 5g 0.00000( //r1// ) liii sp3 5s cliii s2p2 6g 0.00000( //r1// ) liii sp3 5s cliii s2p2 7g 0.00000( //r1// ) liii sp3 5s cliii s2p2 8g 0.00000( //r1// ) liii sp3 5s cliii s2p2 9g 0.00000( //r1// ) liii sp3 5s cliii s2p2 7i 0.00000( //r1// ) liii sp3 5s cliii s2p2 8i 0.00000( //r1// ) liii sp3 5s cliii s2p2 9i 0.00000( //r1// ) liii sp3 5s cliii sp4 -0.24626( 5s//r1// 3p) liii sp3 5s cliii sp3 4p -2.14145( 5s//r1// 4p) liii sp3 5s cliii sp3 5p 6.81075( 5s//r1// 5p) liii sp3 5s cliii sp3 6p -0.21598( 5s//r1// 6p) liii sp3 5s cliii sp3 7p -0.19149( 5s//r1// 7p) liii sp3 5s cliii sp3 8p -0.14535( 5s//r1// 8p) liii sp3 5s cliii sp3 9p -0.11407( 5s//r1// 9p) liii sp3 5s cliii sp3 4f 0.00000( //r1// ) liii sp3 5s cliii sp3 5f 0.00000( //r1// ) liii sp3 5s cliii sp3 6f 0.00000( //r1// ) liii sp3 5s cliii sp3 7f 0.00000( //r1// ) liii sp3 5s cliii sp3 8f 0.00000( //r1// ) liii sp3 5s cliii sp3 9f 0.00000( //r1// ) liii sp3 6s cliii s2p2 4s 0.00000( //r1// ) liii sp3 6s cliii s2p2 5s 0.00000( //r1// ) liii sp3 6s cliii s2p2 6s 0.00000( //r1// ) liii sp3 6s cliii s2p2 7s 0.00000( //r1// ) liii sp3 6s cliii s2p2 8s 0.00000( //r1// ) liii sp3 6s cliii s2p2 9s 0.00000( //r1// ) liii sp3 6s cliii s2p2 3d 0.00000( //r1// ) liii sp3 6s cliii s2p2 4d 0.00000( //r1// ) liii sp3 6s cliii s2p2 5d 0.00000( //r1// ) liii sp3 6s cliii s2p2 6d 0.00000( //r1// ) liii sp3 6s cliii s2p2 7d 0.00000( //r1// ) liii sp3 6s cliii s2p2 8d 0.00000( //r1// ) liii sp3 6s cliii s2p2 9d 0.00000( //r1// ) liii sp3 6s cliii s2p2 5g 0.00000( //r1// ) liii sp3 6s cliii s2p2 6g 0.00000( //r1// ) liii sp3 6s cliii s2p2 7g 0.00000( //r1// ) liii sp3 6s cliii s2p2 8g 0.00000( //r1// ) liii sp3 6s cliii s2p2 9g 0.00000( //r1// ) liii sp3 6s cliii s2p2 7i 0.00000( //r1// ) liii sp3 6s cliii s2p2 8i 0.00000( //r1// ) liii sp3 6s cliii s2p2 9i 0.00000( //r1// ) liii sp3 6s cliii sp4 -0.13901( 6s//r1// 3p) liii sp3 6s cliii sp3 4p -0.61699( 6s//r1// 4p) liii sp3 6s cliii sp3 5p -4.00913( 6s//r1// 5p) liii sp3 6s cliii sp3 6p 10.82044( 6s//r1// 6p) liii sp3 6s cliii sp3 7p -0.22075( 6s//r1// 7p) liii sp3 6s cliii sp3 8p -0.23091( 6s//r1// 8p) liii sp3 6s cliii sp3 9p -0.17989( 6s//r1// 9p) liii sp3 6s cliii sp3 4f 0.00000( //r1// ) liii sp3 6s cliii sp3 5f 0.00000( //r1// ) liii sp3 6s cliii sp3 6f 0.00000( //r1// ) liii sp3 6s cliii sp3 7f 0.00000( //r1// ) liii sp3 6s cliii sp3 8f 0.00000( //r1// ) liii sp3 6s cliii sp3 9f 0.00000( //r1// ) liii sp3 7s cliii s2p2 4s 0.00000( //r1// ) liii sp3 7s cliii s2p2 5s 0.00000( //r1// ) liii sp3 7s cliii s2p2 6s 0.00000( //r1// ) liii sp3 7s cliii s2p2 7s 0.00000( //r1// ) liii sp3 7s cliii s2p2 8s 0.00000( //r1// ) liii sp3 7s cliii s2p2 9s 0.00000( //r1// ) liii sp3 7s cliii s2p2 3d 0.00000( //r1// ) liii sp3 7s cliii s2p2 4d 0.00000( //r1// ) liii sp3 7s cliii s2p2 5d 0.00000( //r1// ) liii sp3 7s cliii s2p2 6d 0.00000( //r1// ) liii sp3 7s cliii s2p2 7d 0.00000( //r1// ) liii sp3 7s cliii s2p2 8d 0.00000( //r1// ) liii sp3 7s cliii s2p2 9d 0.00000( //r1// ) liii sp3 7s cliii s2p2 5g 0.00000( //r1// ) liii sp3 7s cliii s2p2 6g 0.00000( //r1// ) liii sp3 7s cliii s2p2 7g 0.00000( //r1// ) liii sp3 7s cliii s2p2 8g 0.00000( //r1// ) liii sp3 7s cliii s2p2 9g 0.00000( //r1// ) liii sp3 7s cliii s2p2 7i 0.00000( //r1// ) liii sp3 7s cliii s2p2 8i 0.00000( //r1// ) liii sp3 7s cliii s2p2 9i 0.00000( //r1// ) liii sp3 7s cliii sp4 -0.09409( 7s//r1// 3p) liii sp3 7s cliii sp3 4p -0.33612( 7s//r1// 4p) liii sp3 7s cliii sp3 5p -1.09328( 7s//r1// 5p) liii sp3 7s cliii sp3 6p -6.38144( 7s//r1// 6p) liii sp3 7s cliii sp3 7p 15.73052( 7s//r1// 7p) liii sp3 7s cliii sp3 8p -0.21351( 7s//r1// 8p) liii sp3 7s cliii sp3 9p -0.27025( 7s//r1// 9p) liii sp3 7s cliii sp3 4f 0.00000( //r1// ) liii sp3 7s cliii sp3 5f 0.00000( //r1// ) liii sp3 7s cliii sp3 6f 0.00000( //r1// ) liii sp3 7s cliii sp3 7f 0.00000( //r1// ) liii sp3 7s cliii sp3 8f 0.00000( //r1// ) liii sp3 7s cliii sp3 9f 0.00000( //r1// ) liii sp3 8s cliii s2p2 4s 0.00000( //r1// ) liii sp3 8s cliii s2p2 5s 0.00000( //r1// ) liii sp3 8s cliii s2p2 6s 0.00000( //r1// ) liii sp3 8s cliii s2p2 7s 0.00000( //r1// ) liii sp3 8s cliii s2p2 8s 0.00000( //r1// ) liii sp3 8s cliii s2p2 9s 0.00000( //r1// ) liii sp3 8s cliii s2p2 3d 0.00000( //r1// ) liii sp3 8s cliii s2p2 4d 0.00000( //r1// ) liii sp3 8s cliii s2p2 5d 0.00000( //r1// ) liii sp3 8s cliii s2p2 6d 0.00000( //r1// ) liii sp3 8s cliii s2p2 7d 0.00000( //r1// ) liii sp3 8s cliii s2p2 8d 0.00000( //r1// ) liii sp3 8s cliii s2p2 9d 0.00000( //r1// ) liii sp3 8s cliii s2p2 5g 0.00000( //r1// ) liii sp3 8s cliii s2p2 6g 0.00000( //r1// ) liii sp3 8s cliii s2p2 7g 0.00000( //r1// ) liii sp3 8s cliii s2p2 8g 0.00000( //r1// ) liii sp3 8s cliii s2p2 9g 0.00000( //r1// ) liii sp3 8s cliii s2p2 7i 0.00000( //r1// ) liii sp3 8s cliii s2p2 8i 0.00000( //r1// ) liii sp3 8s cliii s2p2 9i 0.00000( //r1// ) liii sp3 8s cliii sp4 -0.06976( 8s//r1// 3p) liii sp3 8s cliii sp3 4p -0.22465( 8s//r1// 4p) liii sp3 8s cliii sp3 5p -0.58147( 8s//r1// 5p) liii sp3 8s cliii sp3 6p -1.68734( 8s//r1// 6p) liii sp3 8s cliii sp3 7p -9.27703( 8s//r1// 7p) liii sp3 8s cliii sp3 8p 21.54140( 8s//r1// 8p) liii sp3 8s cliii sp3 9p -0.19271( 8s//r1// 9p) liii sp3 8s cliii sp3 4f 0.00000( //r1// ) liii sp3 8s cliii sp3 5f 0.00000( //r1// ) liii sp3 8s cliii sp3 6f 0.00000( //r1// ) liii sp3 8s cliii sp3 7f 0.00000( //r1// ) liii sp3 8s cliii sp3 8f 0.00000( //r1// ) liii sp3 8s cliii sp3 9f 0.00000( //r1// ) liii sp3 9s cliii s2p2 4s 0.00000( //r1// ) liii sp3 9s cliii s2p2 5s 0.00000( //r1// ) liii sp3 9s cliii s2p2 6s 0.00000( //r1// ) liii sp3 9s cliii s2p2 7s 0.00000( //r1// ) liii sp3 9s cliii s2p2 8s 0.00000( //r1// ) liii sp3 9s cliii s2p2 9s 0.00000( //r1// ) liii sp3 9s cliii s2p2 3d 0.00000( //r1// ) liii sp3 9s cliii s2p2 4d 0.00000( //r1// ) liii sp3 9s cliii s2p2 5d 0.00000( //r1// ) liii sp3 9s cliii s2p2 6d 0.00000( //r1// ) liii sp3 9s cliii s2p2 7d 0.00000( //r1// ) liii sp3 9s cliii s2p2 8d 0.00000( //r1// ) liii sp3 9s cliii s2p2 9d 0.00000( //r1// ) liii sp3 9s cliii s2p2 5g 0.00000( //r1// ) liii sp3 9s cliii s2p2 6g 0.00000( //r1// ) liii sp3 9s cliii s2p2 7g 0.00000( //r1// ) liii sp3 9s cliii s2p2 8g 0.00000( //r1// ) liii sp3 9s cliii s2p2 9g 0.00000( //r1// ) liii sp3 9s cliii s2p2 7i 0.00000( //r1// ) liii sp3 9s cliii s2p2 8i 0.00000( //r1// ) liii sp3 9s cliii s2p2 9i 0.00000( //r1// ) liii sp3 9s cliii sp4 -0.05466( 9s//r1// 3p) liii sp3 9s cliii sp3 4p -0.16593( 9s//r1// 4p) liii sp3 9s cliii sp3 5p -0.38403( 9s//r1// 5p) liii sp3 9s cliii sp3 6p -0.88243( 9s//r1// 6p) liii sp3 9s cliii sp3 7p -2.40083( 9s//r1// 7p) liii sp3 9s cliii sp3 8p -12.69878( 9s//r1// 8p) liii sp3 9s cliii sp3 9p 28.25346( 9s//r1// 9p) liii sp3 9s cliii sp3 4f 0.00000( //r1// ) liii sp3 9s cliii sp3 5f 0.00000( //r1// ) liii sp3 9s cliii sp3 6f 0.00000( //r1// ) liii sp3 9s cliii sp3 7f 0.00000( //r1// ) liii sp3 9s cliii sp3 8f 0.00000( //r1// ) liii sp3 9s cliii sp3 9f 0.00000( //r1// ) liii sp3 3d cliii s2p2 4s 0.00000( //r1// ) liii sp3 3d cliii s2p2 5s 0.00000( //r1// ) liii sp3 3d cliii s2p2 6s 0.00000( //r1// ) liii sp3 3d cliii s2p2 7s 0.00000( //r1// ) liii sp3 3d cliii s2p2 8s 0.00000( //r1// ) liii sp3 3d cliii s2p2 9s 0.00000( //r1// ) liii sp3 3d cliii s2p2 3d 0.00000( //r1// ) liii sp3 3d cliii s2p2 4d 0.00000( //r1// ) liii sp3 3d cliii s2p2 5d 0.00000( //r1// ) liii sp3 3d cliii s2p2 6d 0.00000( //r1// ) liii sp3 3d cliii s2p2 7d 0.00000( //r1// ) liii sp3 3d cliii s2p2 8d 0.00000( //r1// ) liii sp3 3d cliii s2p2 9d 0.00000( //r1// ) liii sp3 3d cliii s2p2 5g 0.00000( //r1// ) liii sp3 3d cliii s2p2 6g 0.00000( //r1// ) liii sp3 3d cliii s2p2 7g 0.00000( //r1// ) liii sp3 3d cliii s2p2 8g 0.00000( //r1// ) liii sp3 3d cliii s2p2 9g 0.00000( //r1// ) liii sp3 3d cliii s2p2 7i 0.00000( //r1// ) liii sp3 3d cliii s2p2 8i 0.00000( //r1// ) liii sp3 3d cliii s2p2 9i 0.00000( //r1// ) liii sp3 3d cliii sp4 -2.37210( 3d//r1// 3p) liii sp3 3d cliii sp3 4p 1.96954( 3d//r1// 4p) liii sp3 3d cliii sp3 5p 0.38950( 3d//r1// 5p) liii sp3 3d cliii sp3 6p 0.19581( 3d//r1// 6p) liii sp3 3d cliii sp3 7p 0.12562( 3d//r1// 7p) liii sp3 3d cliii sp3 8p 0.09036( 3d//r1// 8p) liii sp3 3d cliii sp3 9p 0.06946( 3d//r1// 9p) liii sp3 3d cliii sp3 4f -2.47294( 3d//r1// 4f) liii sp3 3d cliii sp3 5f -1.43622( 3d//r1// 5f) liii sp3 3d cliii sp3 6f -0.96082( 3d//r1// 6f) liii sp3 3d cliii sp3 7f -0.70084( 3d//r1// 7f) liii sp3 3d cliii sp3 8f -0.54117( 3d//r1// 8f) liii sp3 3d cliii sp3 9f -0.43491( 3d//r1// 9f) liii sp3 4d cliii s2p2 4s 0.00000( //r1// ) liii sp3 4d cliii s2p2 5s 0.00000( //r1// ) liii sp3 4d cliii s2p2 6s 0.00000( //r1// ) liii sp3 4d cliii s2p2 7s 0.00000( //r1// ) liii sp3 4d cliii s2p2 8s 0.00000( //r1// ) liii sp3 4d cliii s2p2 9s 0.00000( //r1// ) liii sp3 4d cliii s2p2 3d 0.00000( //r1// ) liii sp3 4d cliii s2p2 4d 0.00000( //r1// ) liii sp3 4d cliii s2p2 5d 0.00000( //r1// ) liii sp3 4d cliii s2p2 6d 0.00000( //r1// ) liii sp3 4d cliii s2p2 7d 0.00000( //r1// ) liii sp3 4d cliii s2p2 8d 0.00000( //r1// ) liii sp3 4d cliii s2p2 9d 0.00000( //r1// ) liii sp3 4d cliii s2p2 5g 0.00000( //r1// ) liii sp3 4d cliii s2p2 6g 0.00000( //r1// ) liii sp3 4d cliii s2p2 7g 0.00000( //r1// ) liii sp3 4d cliii s2p2 8g 0.00000( //r1// ) liii sp3 4d cliii s2p2 9g 0.00000( //r1// ) liii sp3 4d cliii s2p2 7i 0.00000( //r1// ) liii sp3 4d cliii s2p2 8i 0.00000( //r1// ) liii sp3 4d cliii s2p2 9i 0.00000( //r1// ) liii sp3 4d cliii sp4 -0.04357( 4d//r1// 3p) liii sp3 4d cliii sp3 4p -5.78547( 4d//r1// 4p) liii sp3 4d cliii sp3 5p 5.47218( 4d//r1// 5p) liii sp3 4d cliii sp3 6p 0.79828( 4d//r1// 6p) liii sp3 4d cliii sp3 7p 0.38246( 4d//r1// 7p) liii sp3 4d cliii sp3 8p 0.24262( 4d//r1// 8p) liii sp3 4d cliii sp3 9p 0.17435( 4d//r1// 9p) liii sp3 4d cliii sp3 4f 9.20785( 4d//r1// 4f) liii sp3 4d cliii sp3 5f -1.99109( 4d//r1// 5f) liii sp3 4d cliii sp3 6f -1.40958( 4d//r1// 6f) liii sp3 4d cliii sp3 7f -1.01592( 4d//r1// 7f) liii sp3 4d cliii sp3 8f -0.77516( 4d//r1// 8f) liii sp3 4d cliii sp3 9f -0.61781( 4d//r1// 9f) liii sp3 5d cliii s2p2 4s 0.00000( //r1// ) liii sp3 5d cliii s2p2 5s 0.00000( //r1// ) liii sp3 5d cliii s2p2 6s 0.00000( //r1// ) liii sp3 5d cliii s2p2 7s 0.00000( //r1// ) liii sp3 5d cliii s2p2 8s 0.00000( //r1// ) liii sp3 5d cliii s2p2 9s 0.00000( //r1// ) liii sp3 5d cliii s2p2 3d 0.00000( //r1// ) liii sp3 5d cliii s2p2 4d 0.00000( //r1// ) liii sp3 5d cliii s2p2 5d 0.00000( //r1// ) liii sp3 5d cliii s2p2 6d 0.00000( //r1// ) liii sp3 5d cliii s2p2 7d 0.00000( //r1// ) liii sp3 5d cliii s2p2 8d 0.00000( //r1// ) liii sp3 5d cliii s2p2 9d 0.00000( //r1// ) liii sp3 5d cliii s2p2 5g 0.00000( //r1// ) liii sp3 5d cliii s2p2 6g 0.00000( //r1// ) liii sp3 5d cliii s2p2 7g 0.00000( //r1// ) liii sp3 5d cliii s2p2 8g 0.00000( //r1// ) liii sp3 5d cliii s2p2 9g 0.00000( //r1// ) liii sp3 5d cliii s2p2 7i 0.00000( //r1// ) liii sp3 5d cliii s2p2 8i 0.00000( //r1// ) liii sp3 5d cliii s2p2 9i 0.00000( //r1// ) liii sp3 5d cliii sp4 0.04143( 5d//r1// 3p) liii sp3 5d cliii sp3 4p -0.66224( 5d//r1// 4p) liii sp3 5d cliii sp3 5p -9.84978( 5d//r1// 5p) liii sp3 5d cliii sp3 6p 9.93151( 5d//r1// 6p) liii sp3 5d cliii sp3 7p 1.34997( 5d//r1// 7p) liii sp3 5d cliii sp3 8p 0.62955( 5d//r1// 8p) liii sp3 5d cliii sp3 9p 0.39414( 5d//r1// 9p) liii sp3 5d cliii sp3 4f -4.42816( 5d//r1// 4f) liii sp3 5d cliii sp3 5f 16.31866( 5d//r1// 5f) liii sp3 5d cliii sp3 6f -1.90753( 5d//r1// 6f) liii sp3 5d cliii sp3 7f -1.50202( 5d//r1// 7f) liii sp3 5d cliii sp3 8f -1.12391( 5d//r1// 8f) liii sp3 5d cliii sp3 9f -0.87704( 5d//r1// 9f) liii sp3 6d cliii s2p2 4s 0.00000( //r1// ) liii sp3 6d cliii s2p2 5s 0.00000( //r1// ) liii sp3 6d cliii s2p2 6s 0.00000( //r1// ) liii sp3 6d cliii s2p2 7s 0.00000( //r1// ) liii sp3 6d cliii s2p2 8s 0.00000( //r1// ) liii sp3 6d cliii s2p2 9s 0.00000( //r1// ) liii sp3 6d cliii s2p2 3d 0.00000( //r1// ) liii sp3 6d cliii s2p2 4d 0.00000( //r1// ) liii sp3 6d cliii s2p2 5d 0.00000( //r1// ) liii sp3 6d cliii s2p2 6d 0.00000( //r1// ) liii sp3 6d cliii s2p2 7d 0.00000( //r1// ) liii sp3 6d cliii s2p2 8d 0.00000( //r1// ) liii sp3 6d cliii s2p2 9d 0.00000( //r1// ) liii sp3 6d cliii s2p2 5g 0.00000( //r1// ) liii sp3 6d cliii s2p2 6g 0.00000( //r1// ) liii sp3 6d cliii s2p2 7g 0.00000( //r1// ) liii sp3 6d cliii s2p2 8g 0.00000( //r1// ) liii sp3 6d cliii s2p2 9g 0.00000( //r1// ) liii sp3 6d cliii s2p2 7i 0.00000( //r1// ) liii sp3 6d cliii s2p2 8i 0.00000( //r1// ) liii sp3 6d cliii s2p2 9i 0.00000( //r1// ) liii sp3 6d cliii sp4 0.04674( 6d//r1// 3p) liii sp3 6d cliii sp3 4p -0.21563( 6d//r1// 4p) liii sp3 6d cliii sp3 5p -1.36403( 6d//r1// 5p) liii sp3 6d cliii sp3 6p -14.85232( 6d//r1// 6p) liii sp3 6d cliii sp3 7p 15.45906( 6d//r1// 7p) liii sp3 6d cliii sp3 8p 2.02266( 6d//r1// 8p) liii sp3 6d cliii sp3 9p 0.92499( 6d//r1// 9p) liii sp3 6d cliii sp3 4f -0.89713( 6d//r1// 4f) liii sp3 6d cliii sp3 5f -8.37826( 6d//r1// 5f) liii sp3 6d cliii sp3 6f 24.86588( 6d//r1// 6f) liii sp3 6d cliii sp3 7f -1.82197( 6d//r1// 7f) liii sp3 6d cliii sp3 8f -1.57764( 6d//r1// 8f) liii sp3 6d cliii sp3 9f -1.21218( 6d//r1// 9f) liii sp3 7d cliii s2p2 4s 0.00000( //r1// ) liii sp3 7d cliii s2p2 5s 0.00000( //r1// ) liii sp3 7d cliii s2p2 6s 0.00000( //r1// ) liii sp3 7d cliii s2p2 7s 0.00000( //r1// ) liii sp3 7d cliii s2p2 8s 0.00000( //r1// ) liii sp3 7d cliii s2p2 9s 0.00000( //r1// ) liii sp3 7d cliii s2p2 3d 0.00000( //r1// ) liii sp3 7d cliii s2p2 4d 0.00000( //r1// ) liii sp3 7d cliii s2p2 5d 0.00000( //r1// ) liii sp3 7d cliii s2p2 6d 0.00000( //r1// ) liii sp3 7d cliii s2p2 7d 0.00000( //r1// ) liii sp3 7d cliii s2p2 8d 0.00000( //r1// ) liii sp3 7d cliii s2p2 9d 0.00000( //r1// ) liii sp3 7d cliii s2p2 5g 0.00000( //r1// ) liii sp3 7d cliii s2p2 6g 0.00000( //r1// ) liii sp3 7d cliii s2p2 7g 0.00000( //r1// ) liii sp3 7d cliii s2p2 8g 0.00000( //r1// ) liii sp3 7d cliii s2p2 9g 0.00000( //r1// ) liii sp3 7d cliii s2p2 7i 0.00000( //r1// ) liii sp3 7d cliii s2p2 8i 0.00000( //r1// ) liii sp3 7d cliii s2p2 9i 0.00000( //r1// ) liii sp3 7d cliii sp4 0.04186( 7d//r1// 3p) liii sp3 7d cliii sp3 4p -0.09653( 7d//r1// 4p) liii sp3 7d cliii sp3 5p -0.52409( 7d//r1// 5p) liii sp3 7d cliii sp3 6p -2.21109( 7d//r1// 6p) liii sp3 7d cliii sp3 7p -20.81767( 7d//r1// 7p) liii sp3 7d cliii sp3 8p 22.07977( 7d//r1// 8p) liii sp3 7d cliii sp3 9p 2.81300( 7d//r1// 9p) liii sp3 7d cliii sp3 4f -0.43389( 7d//r1// 4f) liii sp3 7d cliii sp3 5f -1.80221( 7d//r1// 5f) liii sp3 7d cliii sp3 6f -13.14062( 7d//r1// 6f) liii sp3 7d cliii sp3 7f 34.91761( 7d//r1// 7f) liii sp3 7d cliii sp3 8f -1.69625( 7d//r1// 8f) liii sp3 7d cliii sp3 9f -1.63568( 7d//r1// 9f) liii sp3 8d cliii s2p2 4s 0.00000( //r1// ) liii sp3 8d cliii s2p2 5s 0.00000( //r1// ) liii sp3 8d cliii s2p2 6s 0.00000( //r1// ) liii sp3 8d cliii s2p2 7s 0.00000( //r1// ) liii sp3 8d cliii s2p2 8s 0.00000( //r1// ) liii sp3 8d cliii s2p2 9s 0.00000( //r1// ) liii sp3 8d cliii s2p2 3d 0.00000( //r1// ) liii sp3 8d cliii s2p2 4d 0.00000( //r1// ) liii sp3 8d cliii s2p2 5d 0.00000( //r1// ) liii sp3 8d cliii s2p2 6d 0.00000( //r1// ) liii sp3 8d cliii s2p2 7d 0.00000( //r1// ) liii sp3 8d cliii s2p2 8d 0.00000( //r1// ) liii sp3 8d cliii s2p2 9d 0.00000( //r1// ) liii sp3 8d cliii s2p2 5g 0.00000( //r1// ) liii sp3 8d cliii s2p2 6g 0.00000( //r1// ) liii sp3 8d cliii s2p2 7g 0.00000( //r1// ) liii sp3 8d cliii s2p2 8g 0.00000( //r1// ) liii sp3 8d cliii s2p2 9g 0.00000( //r1// ) liii sp3 8d cliii s2p2 7i 0.00000( //r1// ) liii sp3 8d cliii s2p2 8i 0.00000( //r1// ) liii sp3 8d cliii s2p2 9i 0.00000( //r1// ) liii sp3 8d cliii sp4 0.03609( 8d//r1// 3p) liii sp3 8d cliii sp3 4p -0.05028( 8d//r1// 4p) liii sp3 8d cliii sp3 5p -0.27822( 8d//r1// 5p) liii sp3 8d cliii sp3 6p -0.89967( 8d//r1// 6p) liii sp3 8d cliii sp3 7p -3.20507( 8d//r1// 7p) liii sp3 8d cliii sp3 8p -27.74842( 8d//r1// 8p) liii sp3 8d cliii sp3 9p 29.80496( 8d//r1// 9p) liii sp3 8d cliii sp3 4f -0.27284( 8d//r1// 4f) liii sp3 8d cliii sp3 5f -0.87955( 8d//r1// 5f) liii sp3 8d cliii sp3 6f -2.90413( 8d//r1// 6f) liii sp3 8d cliii sp3 7f -18.82220( 8d//r1// 7f) liii sp3 8d cliii sp3 8f 46.48296( 8d//r1// 8f) liii sp3 8d cliii sp3 9f -1.52050( 8d//r1// 9f) liii sp3 9d cliii s2p2 4s 0.00000( //r1// ) liii sp3 9d cliii s2p2 5s 0.00000( //r1// ) liii sp3 9d cliii s2p2 6s 0.00000( //r1// ) liii sp3 9d cliii s2p2 7s 0.00000( //r1// ) liii sp3 9d cliii s2p2 8s 0.00000( //r1// ) liii sp3 9d cliii s2p2 9s 0.00000( //r1// ) liii sp3 9d cliii s2p2 3d 0.00000( //r1// ) liii sp3 9d cliii s2p2 4d 0.00000( //r1// ) liii sp3 9d cliii s2p2 5d 0.00000( //r1// ) liii sp3 9d cliii s2p2 6d 0.00000( //r1// ) liii sp3 9d cliii s2p2 7d 0.00000( //r1// ) liii sp3 9d cliii s2p2 8d 0.00000( //r1// ) liii sp3 9d cliii s2p2 9d 0.00000( //r1// ) liii sp3 9d cliii s2p2 5g 0.00000( //r1// ) liii sp3 9d cliii s2p2 6g 0.00000( //r1// ) liii sp3 9d cliii s2p2 7g 0.00000( //r1// ) liii sp3 9d cliii s2p2 8g 0.00000( //r1// ) liii sp3 9d cliii s2p2 9g 0.00000( //r1// ) liii sp3 9d cliii s2p2 7i 0.00000( //r1// ) liii sp3 9d cliii s2p2 8i 0.00000( //r1// ) liii sp3 9d cliii s2p2 9i 0.00000( //r1// ) liii sp3 9d cliii sp4 0.03104( 9d//r1// 3p) liii sp3 9d cliii sp3 4p -0.02848( 9d//r1// 4p) liii sp3 9d cliii sp3 5p -0.17367( 9d//r1// 5p) liii sp3 9d cliii sp3 6p -0.50116( 9d//r1// 6p) liii sp3 9d cliii sp3 7p -1.33909( 9d//r1// 7p) liii sp3 9d cliii sp3 8p -4.34864( 9d//r1// 8p) liii sp3 9d cliii sp3 9p -35.64416( 9d//r1// 9p) liii sp3 9d cliii sp3 4f -0.19452( 9d//r1// 4f) liii sp3 9d cliii sp3 5f -0.55385( 9d//r1// 5f) liii sp3 9d cliii sp3 6f -1.42087( 9d//r1// 6f) liii sp3 9d cliii sp3 7f -4.20998( 9d//r1// 7f) liii sp3 9d cliii sp3 8f -25.46122( 9d//r1// 8f) liii sp3 9d cliii sp3 9f 59.56480( 9d//r1// 9f) liii p5 cliii s2p2 4s 0.00000( //r1// ) liii p5 cliii s2p2 5s 0.00000( //r1// ) liii p5 cliii s2p2 6s 0.00000( //r1// ) liii p5 cliii s2p2 7s 0.00000( //r1// ) liii p5 cliii s2p2 8s 0.00000( //r1// ) liii p5 cliii s2p2 9s 0.00000( //r1// ) liii p5 cliii s2p2 3d 0.00000( //r1// ) liii p5 cliii s2p2 4d 0.00000( //r1// ) liii p5 cliii s2p2 5d 0.00000( //r1// ) liii p5 cliii s2p2 6d 0.00000( //r1// ) liii p5 cliii s2p2 7d 0.00000( //r1// ) liii p5 cliii s2p2 8d 0.00000( //r1// ) liii p5 cliii s2p2 9d 0.00000( //r1// ) liii p5 cliii s2p2 5g 0.00000( //r1// ) liii p5 cliii s2p2 6g 0.00000( //r1// ) liii p5 cliii s2p2 7g 0.00000( //r1// ) liii p5 cliii s2p2 8g 0.00000( //r1// ) liii p5 cliii s2p2 9g 0.00000( //r1// ) liii p5 cliii s2p2 7i 0.00000( //r1// ) liii p5 cliii s2p2 8i 0.00000( //r1// ) liii p5 cliii s2p2 9i 0.00000( //r1// ) liii p5 cliii sp4 -1.48722( 3p//r1// 3s) liii p5 cliii sp3 4p 0.00000( //r1// ) liii p5 cliii sp3 5p 0.00000( //r1// ) liii p5 cliii sp3 6p 0.00000( //r1// ) liii p5 cliii sp3 7p 0.00000( //r1// ) liii p5 cliii sp3 8p 0.00000( //r1// ) liii p5 cliii sp3 9p 0.00000( //r1// ) liii p5 cliii sp3 4f 0.00000( //r1// ) liii p5 cliii sp3 5f 0.00000( //r1// ) liii p5 cliii sp3 6f 0.00000( //r1// ) liii p5 cliii sp3 7f 0.00000( //r1// ) liii p5 cliii sp3 8f 0.00000( //r1// ) liii p5 cliii sp3 9f 0.00000( //r1// )