1 83232834340 1 3 1000.0000 7 0 0 s 2 p 3 p 0 f 0 h 0 k 0 s 0 d 0 s ii s2p3 e= -87506.52091 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 4p e= -87385.71405 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 5p e= -87357.64098 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 6p e= -87346.00473 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 7p e= -87339.94966 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 8p e= -87336.38575 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 s ii s2p2 9p e= -87334.10876 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 4f e= -87355.05929 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 5f e= -87344.86646 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 6f e= -87339.33780 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 7f e= -87336.01605 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 8f e= -87333.86698 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 s ii s2p2 9f e= -87332.39755 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 s ii s2p2 6h e= -87339.10719 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 s ii s2p2 7h e= -87335.87280 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 s ii s2p2 8h e= -87333.77226 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 s ii s2p2 9h e= -87332.33214 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 s ii s2p2 8k e= -87333.76837 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 s ii s2p2 9k e= -87332.32884 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 4s e= -87308.67669 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 5s e= -87268.47322 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 6s e= -87253.28753 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 7s e= -87245.79047 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 8s e= -87241.52885 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 s ii sp3 9s e= -87238.87255 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 3d e= -87301.57479 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 4d e= -87265.84893 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 5d e= -87252.09020 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 6d e= -87245.14441 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 7d e= -87241.14017 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 8d e= -87238.62038 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 s ii sp3 9d e= -87236.93221 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 4s e= -87404.91247 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 5s e= -87364.51911 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 6s e= -87349.28094 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 7s e= -87341.76656 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 8s e= -87337.49776 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 s ii s2p2 9s e= -87334.83794 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 3d e= -87394.41140 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 4d e= -87361.15557 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 5d e= -87347.78805 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 6d e= -87340.97005 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 7d e= -87337.02151 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 8d e= -87334.53011 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 s ii s2p2 9d e= -87332.85812 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 5g e= -87344.53277 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 6g e= -87339.15505 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 7g e= -87335.90580 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 8g e= -87333.79562 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 s ii s2p2 9g e= -87332.34886 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 s ii s2p2 7i e= -87335.86811 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 s ii s2p2 8i e= -87333.76861 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 s ii s2p2 9i e= -87332.32929 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 0 s ii sp4 e= -87407.93236 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 4p e= -87290.45569 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 5p e= -87261.91061 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 6p e= -87250.15271 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 7p e= -87244.04965 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 8p e= -87240.46260 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 s ii sp3 9p e= -87238.17308 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 4f e= -87259.15558 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 5f e= -87248.93992 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 6f e= -87243.39773 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 7f e= -87240.06860 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 8f e= -87237.91556 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 s ii sp3 9f e= -87236.44357 ii s2p3 s ii s2p3 -4.70260( 3p//r2// 3p) ii s2p3 s ii s2p2 4p 3.36014( 3p//r2// 4p) ii s2p3 s ii s2p2 5p 1.31107( 3p//r2// 5p) ii s2p3 s ii s2p2 6p 0.76512( 3p//r2// 6p) ii s2p3 s ii s2p2 7p 0.52246( 3p//r2// 7p) ii s2p3 s ii s2p2 8p 0.38822( 3p//r2// 8p) ii s2p3 s ii s2p2 9p 0.30416( 3p//r2// 9p) ii s2p3 s ii s2p2 4f -2.81788( 3p//r2// 4f) ii s2p3 s ii s2p2 5f -2.13747( 3p//r2// 5f) ii s2p3 s ii s2p2 6f -1.63999( 3p//r2// 6f) ii s2p3 s ii s2p2 7f -1.30029( 3p//r2// 7f) ii s2p3 s ii s2p2 8f -1.06109( 3p//r2// 8f) ii s2p3 s ii s2p2 9f -0.88635( 3p//r2// 9f) ii s2p3 s ii s2p2 6h 0.00000( //r2// ) ii s2p3 s ii s2p2 7h 0.00000( //r2// ) ii s2p3 s ii s2p2 8h 0.00000( //r2// ) ii s2p3 s ii s2p2 9h 0.00000( //r2// ) ii s2p3 s ii s2p2 8k 0.00000( //r2// ) ii s2p3 s ii s2p2 9k 0.00000( //r2// ) ii s2p3 s ii sp3 4s 0.00000( //r2// ) ii s2p3 s ii sp3 5s 0.00000( //r2// ) ii s2p3 s ii sp3 6s 0.00000( //r2// ) ii s2p3 s ii sp3 7s 0.00000( //r2// ) ii s2p3 s ii sp3 8s 0.00000( //r2// ) ii s2p3 s ii sp3 9s 0.00000( //r2// ) ii s2p3 s ii sp3 3d 3.80387( 3s//r2// 3d) ii s2p3 s ii sp3 4d 0.63323( 3s//r2// 4d) ii s2p3 s ii sp3 5d 0.23707( 3s//r2// 5d) ii s2p3 s ii sp3 6d 0.12093( 3s//r2// 6d) ii s2p3 s ii sp3 7d 0.07310( 3s//r2// 7d) ii s2p3 s ii sp3 8d 0.04921( 3s//r2// 8d) ii s2p3 s ii sp3 9d 0.03566( 3s//r2// 9d) ii s2p2 4p s ii s2p3 3.36014( 4p//r2// 3p) ii s2p2 4p s ii s2p2 4p -36.78530( 4p//r2// 4p) ii s2p2 4p s ii s2p2 5p 23.49088( 4p//r2// 5p) ii s2p2 4p s ii s2p2 6p 7.08351( 4p//r2// 6p) ii s2p2 4p s ii s2p2 7p 3.75643( 4p//r2// 7p) ii s2p2 4p s ii s2p2 8p 2.45681( 4p//r2// 8p) ii s2p2 4p s ii s2p2 9p 1.78735( 4p//r2// 9p) ii s2p2 4p s ii s2p2 4f 53.28020( 4p//r2// 4f) ii s2p2 4p s ii s2p2 5f 9.74715( 4p//r2// 5f) ii s2p2 4p s ii s2p2 6f 2.87779( 4p//r2// 6f) ii s2p2 4p s ii s2p2 7f 0.92531( 4p//r2// 7f) ii s2p2 4p s ii s2p2 8f 0.20525( 4p//r2// 8f) ii s2p2 4p s ii s2p2 9f -0.09762( 4p//r2// 9f) ii s2p2 4p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 4p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 4p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 4p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 4p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 4p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 4p s ii sp3 4s 0.00000( //r2// ) ii s2p2 4p s ii sp3 5s 0.00000( //r2// ) ii s2p2 4p s ii sp3 6s 0.00000( //r2// ) ii s2p2 4p s ii sp3 7s 0.00000( //r2// ) ii s2p2 4p s ii sp3 8s 0.00000( //r2// ) ii s2p2 4p s ii sp3 9s 0.00000( //r2// ) ii s2p2 4p s ii sp3 3d 0.00000( //r2// ) ii s2p2 4p s ii sp3 4d 0.00000( //r2// ) ii s2p2 4p s ii sp3 5d 0.00000( //r2// ) ii s2p2 4p s ii sp3 6d 0.00000( //r2// ) ii s2p2 4p s ii sp3 7d 0.00000( //r2// ) ii s2p2 4p s ii sp3 8d 0.00000( //r2// ) ii s2p2 4p s ii sp3 9d 0.00000( //r2// ) ii s2p2 5p s ii s2p3 1.31107( 5p//r2// 3p) ii s2p2 5p s ii s2p2 4p 23.49088( 5p//r2// 4p) ii s2p2 5p s ii s2p2 5p -133.72444( 5p//r2// 5p) ii s2p2 5p s ii s2p2 6p 74.95765( 5p//r2// 6p) ii s2p2 5p s ii s2p2 7p 20.87612( 5p//r2// 7p) ii s2p2 5p s ii s2p2 8p 10.58769( 5p//r2// 8p) ii s2p2 5p s ii s2p2 9p 6.74186( 5p//r2// 9p) ii s2p2 5p s ii s2p2 4f -122.88290( 5p//r2// 4f) ii s2p2 5p s ii s2p2 5f 142.70493( 5p//r2// 5f) ii s2p2 5p s ii s2p2 6f 35.89249( 5p//r2// 6f) ii s2p2 5p s ii s2p2 7f 15.03393( 5p//r2// 7f) ii s2p2 5p s ii s2p2 8f 7.97827( 5p//r2// 8f) ii s2p2 5p s ii s2p2 9f 4.85194( 5p//r2// 9f) ii s2p2 5p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 5p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 5p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 5p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 5p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 5p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 5p s ii sp3 4s 0.00000( //r2// ) ii s2p2 5p s ii sp3 5s 0.00000( //r2// ) ii s2p2 5p s ii sp3 6s 0.00000( //r2// ) ii s2p2 5p s ii sp3 7s 0.00000( //r2// ) ii s2p2 5p s ii sp3 8s 0.00000( //r2// ) ii s2p2 5p s ii sp3 9s 0.00000( //r2// ) ii s2p2 5p s ii sp3 3d 0.00000( //r2// ) ii s2p2 5p s ii sp3 4d 0.00000( //r2// ) ii s2p2 5p s ii sp3 5d 0.00000( //r2// ) ii s2p2 5p s ii sp3 6d 0.00000( //r2// ) ii s2p2 5p s ii sp3 7d 0.00000( //r2// ) ii s2p2 5p s ii sp3 8d 0.00000( //r2// ) ii s2p2 5p s ii sp3 9d 0.00000( //r2// ) ii s2p2 6p s ii s2p3 0.76512( 6p//r2// 3p) ii s2p2 6p s ii s2p2 4p 7.08351( 6p//r2// 4p) ii s2p2 6p s ii s2p2 5p 74.95765( 6p//r2// 5p) ii s2p2 6p s ii s2p2 6p -349.34382( 6p//r2// 6p) ii s2p2 6p s ii s2p2 7p 179.64830( 6p//r2// 7p) ii s2p2 6p s ii s2p2 8p 47.67232( 6p//r2// 8p) ii s2p2 6p s ii s2p2 9p 23.44156( 6p//r2// 9p) ii s2p2 6p s ii s2p2 4f 48.99035( 6p//r2// 4f) ii s2p2 6p s ii s2p2 5f -376.96273( 6p//r2// 5f) ii s2p2 6p s ii s2p2 6f 302.88447( 6p//r2// 6f) ii s2p2 6p s ii s2p2 7f 82.82846( 6p//r2// 7f) ii s2p2 6p s ii s2p2 8f 37.45834( 6p//r2// 8f) ii s2p2 6p s ii s2p2 9f 21.33026( 6p//r2// 9f) ii s2p2 6p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 6p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 6p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 6p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 6p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 6p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 6p s ii sp3 4s 0.00000( //r2// ) ii s2p2 6p s ii sp3 5s 0.00000( //r2// ) ii s2p2 6p s ii sp3 6s 0.00000( //r2// ) ii s2p2 6p s ii sp3 7s 0.00000( //r2// ) ii s2p2 6p s ii sp3 8s 0.00000( //r2// ) ii s2p2 6p s ii sp3 9s 0.00000( //r2// ) ii s2p2 6p s ii sp3 3d 0.00000( //r2// ) ii s2p2 6p s ii sp3 4d 0.00000( //r2// ) ii s2p2 6p s ii sp3 5d 0.00000( //r2// ) ii s2p2 6p s ii sp3 6d 0.00000( //r2// ) ii s2p2 6p s ii sp3 7d 0.00000( //r2// ) ii s2p2 6p s ii sp3 8d 0.00000( //r2// ) ii s2p2 6p s ii sp3 9d 0.00000( //r2// ) ii s2p2 7p s ii s2p3 0.52246( 7p//r2// 3p) ii s2p2 7p s ii s2p2 4p 3.75643( 7p//r2// 4p) ii s2p2 7p s ii s2p2 5p 20.87612( 7p//r2// 5p) ii s2p2 7p s ii s2p2 6p 179.64830( 7p//r2// 6p) ii s2p2 7p s ii s2p2 7p -754.14479( 7p//r2// 7p) ii s2p2 7p s ii s2p2 8p 365.33324( 7p//r2// 8p) ii s2p2 7p s ii s2p2 9p 93.61707( 7p//r2// 9p) ii s2p2 7p s ii s2p2 4f 10.20896( 7p//r2// 4f) ii s2p2 7p s ii s2p2 5f 154.06547( 7p//r2// 5f) ii s2p2 7p s ii s2p2 6f -864.12779( 7p//r2// 6f) ii s2p2 7p s ii s2p2 7f 564.24018( 7p//r2// 7f) ii s2p2 7p s ii s2p2 8f 158.51831( 7p//r2// 8f) ii s2p2 7p s ii s2p2 9f 73.66164( 7p//r2// 9f) ii s2p2 7p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 7p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 7p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 7p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 7p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 7p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 7p s ii sp3 4s 0.00000( //r2// ) ii s2p2 7p s ii sp3 5s 0.00000( //r2// ) ii s2p2 7p s ii sp3 6s 0.00000( //r2// ) ii s2p2 7p s ii sp3 7s 0.00000( //r2// ) ii s2p2 7p s ii sp3 8s 0.00000( //r2// ) ii s2p2 7p s ii sp3 9s 0.00000( //r2// ) ii s2p2 7p s ii sp3 3d 0.00000( //r2// ) ii s2p2 7p s ii sp3 4d 0.00000( //r2// ) ii s2p2 7p s ii sp3 5d 0.00000( //r2// ) ii s2p2 7p s ii sp3 6d 0.00000( //r2// ) ii s2p2 7p s ii sp3 7d 0.00000( //r2// ) ii s2p2 7p s ii sp3 8d 0.00000( //r2// ) ii s2p2 7p s ii sp3 9d 0.00000( //r2// ) ii s2p2 8p s ii s2p3 0.38822( 8p//r2// 3p) ii s2p2 8p s ii s2p2 4p 2.45681( 8p//r2// 4p) ii s2p2 8p s ii s2p2 5p 10.58769( 8p//r2// 5p) ii s2p2 8p s ii s2p2 6p 47.67232( 8p//r2// 6p) ii s2p2 8p s ii s2p2 7p 365.33324( 8p//r2// 7p) ii s2p2 8p s ii s2p2 8p -1435.06279( 8p//r2// 8p) ii s2p2 8p s ii s2p2 9p 665.55523( 8p//r2// 9p) ii s2p2 8p s ii s2p2 4f 4.75589( 8p//r2// 4f) ii s2p2 8p s ii s2p2 5f 31.40015( 8p//r2// 5f) ii s2p2 8p s ii s2p2 6f 358.26250( 8p//r2// 6f) ii s2p2 8p s ii s2p2 7f -1692.63089( 8p//r2// 7f) ii s2p2 8p s ii s2p2 8f 962.18940( 8p//r2// 8f) ii s2p2 8p s ii s2p2 9f 272.24737( 8p//r2// 9f) ii s2p2 8p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 8p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 8p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 8p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 8p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 8p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 8p s ii sp3 4s 0.00000( //r2// ) ii s2p2 8p s ii sp3 5s 0.00000( //r2// ) ii s2p2 8p s ii sp3 6s 0.00000( //r2// ) ii s2p2 8p s ii sp3 7s 0.00000( //r2// ) ii s2p2 8p s ii sp3 8s 0.00000( //r2// ) ii s2p2 8p s ii sp3 9s 0.00000( //r2// ) ii s2p2 8p s ii sp3 3d 0.00000( //r2// ) ii s2p2 8p s ii sp3 4d 0.00000( //r2// ) ii s2p2 8p s ii sp3 5d 0.00000( //r2// ) ii s2p2 8p s ii sp3 6d 0.00000( //r2// ) ii s2p2 8p s ii sp3 7d 0.00000( //r2// ) ii s2p2 8p s ii sp3 8d 0.00000( //r2// ) ii s2p2 8p s ii sp3 9d 0.00000( //r2// ) ii s2p2 9p s ii s2p3 0.30416( 9p//r2// 3p) ii s2p2 9p s ii s2p2 4p 1.78735( 9p//r2// 4p) ii s2p2 9p s ii s2p2 5p 6.74186( 9p//r2// 5p) ii s2p2 9p s ii s2p2 6p 23.44156( 9p//r2// 6p) ii s2p2 9p s ii s2p2 7p 93.61707( 9p//r2// 7p) ii s2p2 9p s ii s2p2 8p 665.55523( 9p//r2// 8p) ii s2p2 9p s ii s2p2 9p -2495.42384( 9p//r2// 9p) ii s2p2 9p s ii s2p2 4f 2.90815( 9p//r2// 4f) ii s2p2 9p s ii s2p2 5f 14.30312( 9p//r2// 5f) ii s2p2 9p s ii s2p2 6f 71.59483( 9p//r2// 6f) ii s2p2 9p s ii s2p2 7f 708.92833( 9p//r2// 7f) ii s2p2 9p s ii s2p2 8f -2990.23097( 9p//r2// 8f) ii s2p2 9p s ii s2p2 9f 1537.26305( 9p//r2// 9f) ii s2p2 9p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 9p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 9p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 9p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 9p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 9p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 9p s ii sp3 4s 0.00000( //r2// ) ii s2p2 9p s ii sp3 5s 0.00000( //r2// ) ii s2p2 9p s ii sp3 6s 0.00000( //r2// ) ii s2p2 9p s ii sp3 7s 0.00000( //r2// ) ii s2p2 9p s ii sp3 8s 0.00000( //r2// ) ii s2p2 9p s ii sp3 9s 0.00000( //r2// ) ii s2p2 9p s ii sp3 3d 0.00000( //r2// ) ii s2p2 9p s ii sp3 4d 0.00000( //r2// ) ii s2p2 9p s ii sp3 5d 0.00000( //r2// ) ii s2p2 9p s ii sp3 6d 0.00000( //r2// ) ii s2p2 9p s ii sp3 7d 0.00000( //r2// ) ii s2p2 9p s ii sp3 8d 0.00000( //r2// ) ii s2p2 9p s ii sp3 9d 0.00000( //r2// ) ii s2p2 4f s ii s2p3 -2.81788( 4f//r2// 3p) ii s2p2 4f s ii s2p2 4p 53.28020( 4f//r2// 4p) ii s2p2 4f s ii s2p2 5p -122.88290( 4f//r2// 5p) ii s2p2 4f s ii s2p2 6p 48.99035( 4f//r2// 6p) ii s2p2 4f s ii s2p2 7p 10.20896( 4f//r2// 7p) ii s2p2 4f s ii s2p2 8p 4.75589( 4f//r2// 8p) ii s2p2 4f s ii s2p2 9p 2.90815( 4f//r2// 9p) ii s2p2 4f s ii s2p2 4f -119.56925( 4f//r2// 4f) ii s2p2 4f s ii s2p2 5f 80.65186( 4f//r2// 5f) ii s2p2 4f s ii s2p2 6f 18.48579( 4f//r2// 6f) ii s2p2 4f s ii s2p2 7f 8.32445( 4f//r2// 7f) ii s2p2 4f s ii s2p2 8f 4.89194( 4f//r2// 8f) ii s2p2 4f s ii s2p2 9f 3.30369( 4f//r2// 9f) ii s2p2 4f s ii s2p2 6h 147.68974( 4f//r2// 6h) ii s2p2 4f s ii s2p2 7h 80.19814( 4f//r2// 7h) ii s2p2 4f s ii s2p2 8h 51.66063( 4f//r2// 8h) ii s2p2 4f s ii s2p2 9h 36.97934( 4f//r2// 9h) ii s2p2 4f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 4f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 4f s ii sp3 4s 0.00000( //r2// ) ii s2p2 4f s ii sp3 5s 0.00000( //r2// ) ii s2p2 4f s ii sp3 6s 0.00000( //r2// ) ii s2p2 4f s ii sp3 7s 0.00000( //r2// ) ii s2p2 4f s ii sp3 8s 0.00000( //r2// ) ii s2p2 4f s ii sp3 9s 0.00000( //r2// ) ii s2p2 4f s ii sp3 3d 0.00000( //r2// ) ii s2p2 4f s ii sp3 4d 0.00000( //r2// ) ii s2p2 4f s ii sp3 5d 0.00000( //r2// ) ii s2p2 4f s ii sp3 6d 0.00000( //r2// ) ii s2p2 4f s ii sp3 7d 0.00000( //r2// ) ii s2p2 4f s ii sp3 8d 0.00000( //r2// ) ii s2p2 4f s ii sp3 9d 0.00000( //r2// ) ii s2p2 5f s ii s2p3 -2.13747( 5f//r2// 3p) ii s2p2 5f s ii s2p2 4p 9.74715( 5f//r2// 4p) ii s2p2 5f s ii s2p2 5p 142.70493( 5f//r2// 5p) ii s2p2 5f s ii s2p2 6p -376.96273( 5f//r2// 6p) ii s2p2 5f s ii s2p2 7p 154.06547( 5f//r2// 7p) ii s2p2 5f s ii s2p2 8p 31.40015( 5f//r2// 8p) ii s2p2 5f s ii s2p2 9p 14.30312( 5f//r2// 9p) ii s2p2 5f s ii s2p2 4f 80.65186( 5f//r2// 4f) ii s2p2 5f s ii s2p2 5f -371.55359( 5f//r2// 5f) ii s2p2 5f s ii s2p2 6f 216.22112( 5f//r2// 6f) ii s2p2 5f s ii s2p2 7f 50.89695( 5f//r2// 7f) ii s2p2 5f s ii s2p2 8f 23.13225( 5f//r2// 8f) ii s2p2 5f s ii s2p2 9f 13.64912( 5f//r2// 9f) ii s2p2 5f s ii s2p2 6h -562.81836( 5f//r2// 6h) ii s2p2 5f s ii s2p2 7h 75.60544( 5f//r2// 7h) ii s2p2 5f s ii s2p2 8h 76.56429( 5f//r2// 8h) ii s2p2 5f s ii s2p2 9h 59.61902( 5f//r2// 9h) ii s2p2 5f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 5f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 5f s ii sp3 4s 0.00000( //r2// ) ii s2p2 5f s ii sp3 5s 0.00000( //r2// ) ii s2p2 5f s ii sp3 6s 0.00000( //r2// ) ii s2p2 5f s ii sp3 7s 0.00000( //r2// ) ii s2p2 5f s ii sp3 8s 0.00000( //r2// ) ii s2p2 5f s ii sp3 9s 0.00000( //r2// ) ii s2p2 5f s ii sp3 3d 0.00000( //r2// ) ii s2p2 5f s ii sp3 4d 0.00000( //r2// ) ii s2p2 5f s ii sp3 5d 0.00000( //r2// ) ii s2p2 5f s ii sp3 6d 0.00000( //r2// ) ii s2p2 5f s ii sp3 7d 0.00000( //r2// ) ii s2p2 5f s ii sp3 8d 0.00000( //r2// ) ii s2p2 5f s ii sp3 9d 0.00000( //r2// ) ii s2p2 6f s ii s2p3 -1.63999( 6f//r2// 3p) ii s2p2 6f s ii s2p2 4p 2.87779( 6f//r2// 4p) ii s2p2 6f s ii s2p2 5p 35.89249( 6f//r2// 5p) ii s2p2 6f s ii s2p2 6p 302.88447( 6f//r2// 6p) ii s2p2 6f s ii s2p2 7p -864.12779( 6f//r2// 7p) ii s2p2 6f s ii s2p2 8p 358.26250( 6f//r2// 8p) ii s2p2 6f s ii s2p2 9p 71.59483( 6f//r2// 9p) ii s2p2 6f s ii s2p2 4f 18.48579( 6f//r2// 4f) ii s2p2 6f s ii s2p2 5f 216.22112( 6f//r2// 5f) ii s2p2 6f s ii s2p2 6f -861.88179( 6f//r2// 6f) ii s2p2 6f s ii s2p2 7f 455.05550( 6f//r2// 7f) ii s2p2 6f s ii s2p2 8f 107.47124( 6f//r2// 8f) ii s2p2 6f s ii s2p2 9f 48.77311( 6f//r2// 9f) ii s2p2 6f s ii s2p2 6h 621.96309( 6f//r2// 6h) ii s2p2 6f s ii s2p2 7h -1178.64523( 6f//r2// 7h) ii s2p2 6f s ii s2p2 8h -46.04544( 6f//r2// 8h) ii s2p2 6f s ii s2p2 9h 41.09483( 6f//r2// 9h) ii s2p2 6f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 6f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 6f s ii sp3 4s 0.00000( //r2// ) ii s2p2 6f s ii sp3 5s 0.00000( //r2// ) ii s2p2 6f s ii sp3 6s 0.00000( //r2// ) ii s2p2 6f s ii sp3 7s 0.00000( //r2// ) ii s2p2 6f s ii sp3 8s 0.00000( //r2// ) ii s2p2 6f s ii sp3 9s 0.00000( //r2// ) ii s2p2 6f s ii sp3 3d 0.00000( //r2// ) ii s2p2 6f s ii sp3 4d 0.00000( //r2// ) ii s2p2 6f s ii sp3 5d 0.00000( //r2// ) ii s2p2 6f s ii sp3 6d 0.00000( //r2// ) ii s2p2 6f s ii sp3 7d 0.00000( //r2// ) ii s2p2 6f s ii sp3 8d 0.00000( //r2// ) ii s2p2 6f s ii sp3 9d 0.00000( //r2// ) ii s2p2 7f s ii s2p3 -1.30029( 7f//r2// 3p) ii s2p2 7f s ii s2p2 4p 0.92531( 7f//r2// 4p) ii s2p2 7f s ii s2p2 5p 15.03393( 7f//r2// 5p) ii s2p2 7f s ii s2p2 6p 82.82846( 7f//r2// 6p) ii s2p2 7f s ii s2p2 7p 564.24018( 7f//r2// 7p) ii s2p2 7f s ii s2p2 8p -1692.63089( 7f//r2// 8p) ii s2p2 7f s ii s2p2 9p 708.92833( 7f//r2// 9p) ii s2p2 7f s ii s2p2 4f 8.32445( 7f//r2// 4f) ii s2p2 7f s ii s2p2 5f 50.89695( 7f//r2// 5f) ii s2p2 7f s ii s2p2 6f 455.05550( 7f//r2// 6f) ii s2p2 7f s ii s2p2 7f -1701.25768( 7f//r2// 7f) ii s2p2 7f s ii s2p2 8f 840.28010( 7f//r2// 8f) ii s2p2 7f s ii s2p2 9f 197.52447( 7f//r2// 9f) ii s2p2 7f s ii s2p2 6h -120.11850( 7f//r2// 6h) ii s2p2 7f s ii s2p2 7h 1606.37080( 7f//r2// 7h) ii s2p2 7f s ii s2p2 8h -2050.42852( 7f//r2// 8h) ii s2p2 7f s ii s2p2 9h -232.37597( 7f//r2// 9h) ii s2p2 7f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 7f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 7f s ii sp3 4s 0.00000( //r2// ) ii s2p2 7f s ii sp3 5s 0.00000( //r2// ) ii s2p2 7f s ii sp3 6s 0.00000( //r2// ) ii s2p2 7f s ii sp3 7s 0.00000( //r2// ) ii s2p2 7f s ii sp3 8s 0.00000( //r2// ) ii s2p2 7f s ii sp3 9s 0.00000( //r2// ) ii s2p2 7f s ii sp3 3d 0.00000( //r2// ) ii s2p2 7f s ii sp3 4d 0.00000( //r2// ) ii s2p2 7f s ii sp3 5d 0.00000( //r2// ) ii s2p2 7f s ii sp3 6d 0.00000( //r2// ) ii s2p2 7f s ii sp3 7d 0.00000( //r2// ) ii s2p2 7f s ii sp3 8d 0.00000( //r2// ) ii s2p2 7f s ii sp3 9d 0.00000( //r2// ) ii s2p2 8f s ii s2p3 -1.06109( 8f//r2// 3p) ii s2p2 8f s ii s2p2 4p 0.20525( 8f//r2// 4p) ii s2p2 8f s ii s2p2 5p 7.97827( 8f//r2// 5p) ii s2p2 8f s ii s2p2 6p 37.45834( 8f//r2// 6p) ii s2p2 8f s ii s2p2 7p 158.51831( 8f//r2// 7p) ii s2p2 8f s ii s2p2 8p 962.18940( 8f//r2// 8p) ii s2p2 8f s ii s2p2 9p -2990.23097( 8f//r2// 9p) ii s2p2 8f s ii s2p2 4f 4.89194( 8f//r2// 4f) ii s2p2 8f s ii s2p2 5f 23.13225( 8f//r2// 5f) ii s2p2 8f s ii s2p2 6f 107.47124( 8f//r2// 6f) ii s2p2 8f s ii s2p2 7f 840.28010( 8f//r2// 7f) ii s2p2 8f s ii s2p2 8f -3020.80698( 8f//r2// 8f) ii s2p2 8f s ii s2p2 9f 1421.83576( 8f//r2// 9f) ii s2p2 8f s ii s2p2 6h -27.14285( 8f//r2// 6h) ii s2p2 8f s ii s2p2 7h -352.16898( 8f//r2// 7h) ii s2p2 8f s ii s2p2 8h 3222.98876( 8f//r2// 8h) ii s2p2 8f s ii s2p2 9h -3253.62019( 8f//r2// 9h) ii s2p2 8f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 8f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 8f s ii sp3 4s 0.00000( //r2// ) ii s2p2 8f s ii sp3 5s 0.00000( //r2// ) ii s2p2 8f s ii sp3 6s 0.00000( //r2// ) ii s2p2 8f s ii sp3 7s 0.00000( //r2// ) ii s2p2 8f s ii sp3 8s 0.00000( //r2// ) ii s2p2 8f s ii sp3 9s 0.00000( //r2// ) ii s2p2 8f s ii sp3 3d 0.00000( //r2// ) ii s2p2 8f s ii sp3 4d 0.00000( //r2// ) ii s2p2 8f s ii sp3 5d 0.00000( //r2// ) ii s2p2 8f s ii sp3 6d 0.00000( //r2// ) ii s2p2 8f s ii sp3 7d 0.00000( //r2// ) ii s2p2 8f s ii sp3 8d 0.00000( //r2// ) ii s2p2 8f s ii sp3 9d 0.00000( //r2// ) ii s2p2 9f s ii s2p3 -0.88635( 9f//r2// 3p) ii s2p2 9f s ii s2p2 4p -0.09762( 9f//r2// 4p) ii s2p2 9f s ii s2p2 5p 4.85194( 9f//r2// 5p) ii s2p2 9f s ii s2p2 6p 21.33026( 9f//r2// 6p) ii s2p2 9f s ii s2p2 7p 73.66164( 9f//r2// 7p) ii s2p2 9f s ii s2p2 8p 272.24737( 9f//r2// 8p) ii s2p2 9f s ii s2p2 9p 1537.26305( 9f//r2// 9p) ii s2p2 9f s ii s2p2 4f 3.30369( 9f//r2// 4f) ii s2p2 9f s ii s2p2 5f 13.64912( 9f//r2// 5f) ii s2p2 9f s ii s2p2 6f 48.77311( 9f//r2// 6f) ii s2p2 9f s ii s2p2 7f 197.52447( 9f//r2// 7f) ii s2p2 9f s ii s2p2 8f 1421.83576( 9f//r2// 8f) ii s2p2 9f s ii s2p2 9f -4972.12209( 9f//r2// 9f) ii s2p2 9f s ii s2p2 6h -12.07984( 9f//r2// 6h) ii s2p2 9f s ii s2p2 7h -78.40414( 9f//r2// 7h) ii s2p2 9f s ii s2p2 8h -774.60505( 9f//r2// 8h) ii s2p2 9f s ii s2p2 9h 5681.18921( 9f//r2// 9h) ii s2p2 9f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 9f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 9f s ii sp3 4s 0.00000( //r2// ) ii s2p2 9f s ii sp3 5s 0.00000( //r2// ) ii s2p2 9f s ii sp3 6s 0.00000( //r2// ) ii s2p2 9f s ii sp3 7s 0.00000( //r2// ) ii s2p2 9f s ii sp3 8s 0.00000( //r2// ) ii s2p2 9f s ii sp3 9s 0.00000( //r2// ) ii s2p2 9f s ii sp3 3d 0.00000( //r2// ) ii s2p2 9f s ii sp3 4d 0.00000( //r2// ) ii s2p2 9f s ii sp3 5d 0.00000( //r2// ) ii s2p2 9f s ii sp3 6d 0.00000( //r2// ) ii s2p2 9f s ii sp3 7d 0.00000( //r2// ) ii s2p2 9f s ii sp3 8d 0.00000( //r2// ) ii s2p2 9f s ii sp3 9d 0.00000( //r2// ) ii s2p2 6h s ii s2p3 0.00000( //r2// ) ii s2p2 6h s ii s2p2 4p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 5p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 6p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 7p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 8p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 9p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 4f 147.68974( 6h//r2// 4f) ii s2p2 6h s ii s2p2 5f -562.81836( 6h//r2// 5f) ii s2p2 6h s ii s2p2 6f 621.96309( 6h//r2// 6f) ii s2p2 6h s ii s2p2 7f -120.11850( 6h//r2// 7f) ii s2p2 6h s ii s2p2 8f -27.14285( 6h//r2// 8f) ii s2p2 6h s ii s2p2 9f -12.07984( 6h//r2// 9f) ii s2p2 6h s ii s2p2 6h -687.72003( 6h//r2// 6h) ii s2p2 6h s ii s2p2 7h 378.65460( 6h//r2// 7h) ii s2p2 6h s ii s2p2 8h 75.45723( 6h//r2// 8h) ii s2p2 6h s ii s2p2 9h 31.20109( 6h//r2// 9h) ii s2p2 6h s ii s2p2 8k 868.76089( 6h//r2// 8k) ii s2p2 6h s ii s2p2 9k 413.90255( 6h//r2// 9k) ii s2p2 6h s ii sp3 4s 0.00000( //r2// ) ii s2p2 6h s ii sp3 5s 0.00000( //r2// ) ii s2p2 6h s ii sp3 6s 0.00000( //r2// ) ii s2p2 6h s ii sp3 7s 0.00000( //r2// ) ii s2p2 6h s ii sp3 8s 0.00000( //r2// ) ii s2p2 6h s ii sp3 9s 0.00000( //r2// ) ii s2p2 6h s ii sp3 3d 0.00000( //r2// ) ii s2p2 6h s ii sp3 4d 0.00000( //r2// ) ii s2p2 6h s ii sp3 5d 0.00000( //r2// ) ii s2p2 6h s ii sp3 6d 0.00000( //r2// ) ii s2p2 6h s ii sp3 7d 0.00000( //r2// ) ii s2p2 6h s ii sp3 8d 0.00000( //r2// ) ii s2p2 6h s ii sp3 9d 0.00000( //r2// ) ii s2p2 7h s ii s2p3 0.00000( //r2// ) ii s2p2 7h s ii s2p2 4p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 5p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 6p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 7p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 8p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 9p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 4f 80.19814( 7h//r2// 4f) ii s2p2 7h s ii s2p2 5f 75.60544( 7h//r2// 5f) ii s2p2 7h s ii s2p2 6f -1178.64523( 7h//r2// 6f) ii s2p2 7h s ii s2p2 7f 1606.37080( 7h//r2// 7f) ii s2p2 7h s ii s2p2 8f -352.16898( 7h//r2// 8f) ii s2p2 7h s ii s2p2 9f -78.40414( 7h//r2// 9f) ii s2p2 7h s ii s2p2 6h 378.65460( 7h//r2// 6h) ii s2p2 7h s ii s2p2 7h -1604.65882( 7h//r2// 7h) ii s2p2 7h s ii s2p2 8h 840.70104( 7h//r2// 8h) ii s2p2 7h s ii s2p2 9h 177.59980( 7h//r2// 9h) ii s2p2 7h s ii s2p2 8k -2223.81382( 7h//r2// 8k) ii s2p2 7h s ii s2p2 9k 676.85785( 7h//r2// 9k) ii s2p2 7h s ii sp3 4s 0.00000( //r2// ) ii s2p2 7h s ii sp3 5s 0.00000( //r2// ) ii s2p2 7h s ii sp3 6s 0.00000( //r2// ) ii s2p2 7h s ii sp3 7s 0.00000( //r2// ) ii s2p2 7h s ii sp3 8s 0.00000( //r2// ) ii s2p2 7h s ii sp3 9s 0.00000( //r2// ) ii s2p2 7h s ii sp3 3d 0.00000( //r2// ) ii s2p2 7h s ii sp3 4d 0.00000( //r2// ) ii s2p2 7h s ii sp3 5d 0.00000( //r2// ) ii s2p2 7h s ii sp3 6d 0.00000( //r2// ) ii s2p2 7h s ii sp3 7d 0.00000( //r2// ) ii s2p2 7h s ii sp3 8d 0.00000( //r2// ) ii s2p2 7h s ii sp3 9d 0.00000( //r2// ) ii s2p2 8h s ii s2p3 0.00000( //r2// ) ii s2p2 8h s ii s2p2 4p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 5p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 6p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 7p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 8p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 9p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 4f 51.66063( 8h//r2// 4f) ii s2p2 8h s ii s2p2 5f 76.56429( 8h//r2// 5f) ii s2p2 8h s ii s2p2 6f -46.04544( 8h//r2// 6f) ii s2p2 8h s ii s2p2 7f -2050.42852( 8h//r2// 7f) ii s2p2 8h s ii s2p2 8f 3222.98876( 8h//r2// 8f) ii s2p2 8h s ii s2p2 9f -774.60505( 8h//r2// 9f) ii s2p2 8h s ii s2p2 6h 75.45723( 8h//r2// 6h) ii s2p2 8h s ii s2p2 7h 840.70104( 8h//r2// 7h) ii s2p2 8h s ii s2p2 8h -3103.49843( 8h//r2// 8h) ii s2p2 8h s ii s2p2 9h 1536.41759( 8h//r2// 9h) ii s2p2 8h s ii s2p2 8k 1804.65480( 8h//r2// 8k) ii s2p2 8h s ii s2p2 9k -4239.05436( 8h//r2// 9k) ii s2p2 8h s ii sp3 4s 0.00000( //r2// ) ii s2p2 8h s ii sp3 5s 0.00000( //r2// ) ii s2p2 8h s ii sp3 6s 0.00000( //r2// ) ii s2p2 8h s ii sp3 7s 0.00000( //r2// ) ii s2p2 8h s ii sp3 8s 0.00000( //r2// ) ii s2p2 8h s ii sp3 9s 0.00000( //r2// ) ii s2p2 8h s ii sp3 3d 0.00000( //r2// ) ii s2p2 8h s ii sp3 4d 0.00000( //r2// ) ii s2p2 8h s ii sp3 5d 0.00000( //r2// ) ii s2p2 8h s ii sp3 6d 0.00000( //r2// ) ii s2p2 8h s ii sp3 7d 0.00000( //r2// ) ii s2p2 8h s ii sp3 8d 0.00000( //r2// ) ii s2p2 8h s ii sp3 9d 0.00000( //r2// ) ii s2p2 9h s ii s2p3 0.00000( //r2// ) ii s2p2 9h s ii s2p2 4p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 5p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 6p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 7p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 8p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 9p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 4f 36.97934( 9h//r2// 4f) ii s2p2 9h s ii s2p2 5f 59.61902( 9h//r2// 5f) ii s2p2 9h s ii s2p2 6f 41.09483( 9h//r2// 6f) ii s2p2 9h s ii s2p2 7f -232.37597( 9h//r2// 7f) ii s2p2 9h s ii s2p2 8f -3253.62019( 9h//r2// 8f) ii s2p2 9h s ii s2p2 9f 5681.18921( 9h//r2// 9f) ii s2p2 9h s ii s2p2 6h 31.20109( 9h//r2// 6h) ii s2p2 9h s ii s2p2 7h 177.59980( 9h//r2// 7h) ii s2p2 9h s ii s2p2 8h 1536.41759( 9h//r2// 8h) ii s2p2 9h s ii s2p2 9h -5373.13184( 9h//r2// 9h) ii s2p2 9h s ii s2p2 8k -237.16031( 9h//r2// 8k) ii s2p2 9h s ii s2p2 9k 4229.18801( 9h//r2// 9k) ii s2p2 9h s ii sp3 4s 0.00000( //r2// ) ii s2p2 9h s ii sp3 5s 0.00000( //r2// ) ii s2p2 9h s ii sp3 6s 0.00000( //r2// ) ii s2p2 9h s ii sp3 7s 0.00000( //r2// ) ii s2p2 9h s ii sp3 8s 0.00000( //r2// ) ii s2p2 9h s ii sp3 9s 0.00000( //r2// ) ii s2p2 9h s ii sp3 3d 0.00000( //r2// ) ii s2p2 9h s ii sp3 4d 0.00000( //r2// ) ii s2p2 9h s ii sp3 5d 0.00000( //r2// ) ii s2p2 9h s ii sp3 6d 0.00000( //r2// ) ii s2p2 9h s ii sp3 7d 0.00000( //r2// ) ii s2p2 9h s ii sp3 8d 0.00000( //r2// ) ii s2p2 9h s ii sp3 9d 0.00000( //r2// ) ii s2p2 8k s ii s2p3 0.00000( //r2// ) ii s2p2 8k s ii s2p2 4p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 5p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 6p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 7p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 8p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 9p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 4f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 5f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 6f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 7f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 8f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 9f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 6h 868.76089( 8k//r2// 6h) ii s2p2 8k s ii s2p2 7h -2223.81382( 8k//r2// 7h) ii s2p2 8k s ii s2p2 8h 1804.65480( 8k//r2// 8h) ii s2p2 8k s ii s2p2 9h -237.16031( 8k//r2// 9h) ii s2p2 8k s ii s2p2 8k -2386.29095( 8k//r2// 8k) ii s2p2 8k s ii s2p2 9k 1152.50061( 8k//r2// 9k) ii s2p2 8k s ii sp3 4s 0.00000( //r2// ) ii s2p2 8k s ii sp3 5s 0.00000( //r2// ) ii s2p2 8k s ii sp3 6s 0.00000( //r2// ) ii s2p2 8k s ii sp3 7s 0.00000( //r2// ) ii s2p2 8k s ii sp3 8s 0.00000( //r2// ) ii s2p2 8k s ii sp3 9s 0.00000( //r2// ) ii s2p2 8k s ii sp3 3d 0.00000( //r2// ) ii s2p2 8k s ii sp3 4d 0.00000( //r2// ) ii s2p2 8k s ii sp3 5d 0.00000( //r2// ) ii s2p2 8k s ii sp3 6d 0.00000( //r2// ) ii s2p2 8k s ii sp3 7d 0.00000( //r2// ) ii s2p2 8k s ii sp3 8d 0.00000( //r2// ) ii s2p2 8k s ii sp3 9d 0.00000( //r2// ) ii s2p2 9k s ii s2p3 0.00000( //r2// ) ii s2p2 9k s ii s2p2 4p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 5p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 6p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 7p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 8p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 9p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 4f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 5f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 6f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 7f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 8f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 9f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 6h 413.90255( 9k//r2// 6h) ii s2p2 9k s ii s2p2 7h 676.85785( 9k//r2// 7h) ii s2p2 9k s ii s2p2 8h -4239.05436( 9k//r2// 8h) ii s2p2 9k s ii s2p2 9h 4229.18801( 9k//r2// 9h) ii s2p2 9k s ii s2p2 8k 1152.50061( 9k//r2// 8k) ii s2p2 9k s ii s2p2 9k -4698.01007( 9k//r2// 9k) ii s2p2 9k s ii sp3 4s 0.00000( //r2// ) ii s2p2 9k s ii sp3 5s 0.00000( //r2// ) ii s2p2 9k s ii sp3 6s 0.00000( //r2// ) ii s2p2 9k s ii sp3 7s 0.00000( //r2// ) ii s2p2 9k s ii sp3 8s 0.00000( //r2// ) ii s2p2 9k s ii sp3 9s 0.00000( //r2// ) ii s2p2 9k s ii sp3 3d 0.00000( //r2// ) ii s2p2 9k s ii sp3 4d 0.00000( //r2// ) ii s2p2 9k s ii sp3 5d 0.00000( //r2// ) ii s2p2 9k s ii sp3 6d 0.00000( //r2// ) ii s2p2 9k s ii sp3 7d 0.00000( //r2// ) ii s2p2 9k s ii sp3 8d 0.00000( //r2// ) ii s2p2 9k s ii sp3 9d 0.00000( //r2// ) ii sp3 4s s ii s2p3 0.00000( //r2// ) ii sp3 4s s ii s2p2 4p 0.00000( //r2// ) ii sp3 4s s ii s2p2 5p 0.00000( //r2// ) ii sp3 4s s ii s2p2 6p 0.00000( //r2// ) ii sp3 4s s ii s2p2 7p 0.00000( //r2// ) ii sp3 4s s ii s2p2 8p 0.00000( //r2// ) ii sp3 4s s ii s2p2 9p 0.00000( //r2// ) ii sp3 4s s ii s2p2 4f 0.00000( //r2// ) ii sp3 4s s ii s2p2 5f 0.00000( //r2// ) ii sp3 4s s ii s2p2 6f 0.00000( //r2// ) ii sp3 4s s ii s2p2 7f 0.00000( //r2// ) ii sp3 4s s ii s2p2 8f 0.00000( //r2// ) ii sp3 4s s ii s2p2 9f 0.00000( //r2// ) ii sp3 4s s ii s2p2 6h 0.00000( //r2// ) ii sp3 4s s ii s2p2 7h 0.00000( //r2// ) ii sp3 4s s ii s2p2 8h 0.00000( //r2// ) ii sp3 4s s ii s2p2 9h 0.00000( //r2// ) ii sp3 4s s ii s2p2 8k 0.00000( //r2// ) ii sp3 4s s ii s2p2 9k 0.00000( //r2// ) ii sp3 4s s ii sp3 4s -4.12114( 3p//r2// 3p) ii sp3 4s s ii sp3 5s 0.00000( //r2// ) ii sp3 4s s ii sp3 6s 0.00000( //r2// ) ii sp3 4s s ii sp3 7s 0.00000( //r2// ) ii sp3 4s s ii sp3 8s 0.00000( //r2// ) ii sp3 4s s ii sp3 9s 0.00000( //r2// ) ii sp3 4s s ii sp3 3d -13.75340( 4s//r2// 3d) ii sp3 4s s ii sp3 4d 22.79031( 4s//r2// 4d) ii sp3 4s s ii sp3 5d 5.92030( 4s//r2// 5d) ii sp3 4s s ii sp3 6d 2.79835( 4s//r2// 6d) ii sp3 4s s ii sp3 7d 1.68670( 4s//r2// 7d) ii sp3 4s s ii sp3 8d 1.15576( 4s//r2// 8d) ii sp3 4s s ii sp3 9d 0.85608( 4s//r2// 9d) ii sp3 5s s ii s2p3 0.00000( //r2// ) ii sp3 5s s ii s2p2 4p 0.00000( //r2// ) ii sp3 5s s ii s2p2 5p 0.00000( //r2// ) ii sp3 5s s ii s2p2 6p 0.00000( //r2// ) ii sp3 5s s ii s2p2 7p 0.00000( //r2// ) ii sp3 5s s ii s2p2 8p 0.00000( //r2// ) ii sp3 5s s ii s2p2 9p 0.00000( //r2// ) ii sp3 5s s ii s2p2 4f 0.00000( //r2// ) ii sp3 5s s ii s2p2 5f 0.00000( //r2// ) ii sp3 5s s ii s2p2 6f 0.00000( //r2// ) ii sp3 5s s ii s2p2 7f 0.00000( //r2// ) ii sp3 5s s ii s2p2 8f 0.00000( //r2// ) ii sp3 5s s ii s2p2 9f 0.00000( //r2// ) ii sp3 5s s ii s2p2 6h 0.00000( //r2// ) ii sp3 5s s ii s2p2 7h 0.00000( //r2// ) ii sp3 5s s ii s2p2 8h 0.00000( //r2// ) ii sp3 5s s ii s2p2 9h 0.00000( //r2// ) ii sp3 5s s ii s2p2 8k 0.00000( //r2// ) ii sp3 5s s ii s2p2 9k 0.00000( //r2// ) ii sp3 5s s ii sp3 4s 0.00000( //r2// ) ii sp3 5s s ii sp3 5s -4.02809( 3p//r2// 3p) ii sp3 5s s ii sp3 6s 0.00000( //r2// ) ii sp3 5s s ii sp3 7s 0.00000( //r2// ) ii sp3 5s s ii sp3 8s 0.00000( //r2// ) ii sp3 5s s ii sp3 9s 0.00000( //r2// ) ii sp3 5s s ii sp3 3d 5.50246( 5s//r2// 3d) ii sp3 5s s ii sp3 4d -75.03590( 5s//r2// 4d) ii sp3 5s s ii sp3 5d 68.28918( 5s//r2// 5d) ii sp3 5s s ii sp3 6d 18.77869( 5s//r2// 6d) ii sp3 5s s ii sp3 7d 9.09330( 5s//r2// 7d) ii sp3 5s s ii sp3 8d 5.56431( 5s//r2// 8d) ii sp3 5s s ii sp3 9d 3.85695( 5s//r2// 9d) ii sp3 6s s ii s2p3 0.00000( //r2// ) ii sp3 6s s ii s2p2 4p 0.00000( //r2// ) ii sp3 6s s ii s2p2 5p 0.00000( //r2// ) ii sp3 6s s ii s2p2 6p 0.00000( //r2// ) ii sp3 6s s ii s2p2 7p 0.00000( //r2// ) ii sp3 6s s ii s2p2 8p 0.00000( //r2// ) ii sp3 6s s ii s2p2 9p 0.00000( //r2// ) ii sp3 6s s ii s2p2 4f 0.00000( //r2// ) ii sp3 6s s ii s2p2 5f 0.00000( //r2// ) ii sp3 6s s ii s2p2 6f 0.00000( //r2// ) ii sp3 6s s ii s2p2 7f 0.00000( //r2// ) ii sp3 6s s ii s2p2 8f 0.00000( //r2// ) ii sp3 6s s ii s2p2 9f 0.00000( //r2// ) ii sp3 6s s ii s2p2 6h 0.00000( //r2// ) ii sp3 6s s ii s2p2 7h 0.00000( //r2// ) ii sp3 6s s ii s2p2 8h 0.00000( //r2// ) ii sp3 6s s ii s2p2 9h 0.00000( //r2// ) ii sp3 6s s ii s2p2 8k 0.00000( //r2// ) ii sp3 6s s ii s2p2 9k 0.00000( //r2// ) ii sp3 6s s ii sp3 4s 0.00000( //r2// ) ii sp3 6s s ii sp3 5s 0.00000( //r2// ) ii sp3 6s s ii sp3 6s -4.00801( 3p//r2// 3p) ii sp3 6s s ii sp3 7s 0.00000( //r2// ) ii sp3 6s s ii sp3 8s 0.00000( //r2// ) ii sp3 6s s ii sp3 9s 0.00000( //r2// ) ii sp3 6s s ii sp3 3d 1.60100( 6s//r2// 3d) ii sp3 6s s ii sp3 4d 31.33886( 6s//r2// 4d) ii sp3 6s s ii sp3 5d -225.71160( 6s//r2// 5d) ii sp3 6s s ii sp3 6d 158.28570( 6s//r2// 6d) ii sp3 6s s ii sp3 7d 43.78881( 6s//r2// 7d) ii sp3 6s s ii sp3 8d 21.20842( 6s//r2// 8d) ii sp3 6s s ii sp3 9d 12.96752( 6s//r2// 9d) ii sp3 7s s ii s2p3 0.00000( //r2// ) ii sp3 7s s ii s2p2 4p 0.00000( //r2// ) ii sp3 7s s ii s2p2 5p 0.00000( //r2// ) ii sp3 7s s ii s2p2 6p 0.00000( //r2// ) ii sp3 7s s ii s2p2 7p 0.00000( //r2// ) ii sp3 7s s ii s2p2 8p 0.00000( //r2// ) ii sp3 7s s ii s2p2 9p 0.00000( //r2// ) ii sp3 7s s ii s2p2 4f 0.00000( //r2// ) ii sp3 7s s ii s2p2 5f 0.00000( //r2// ) ii sp3 7s s ii s2p2 6f 0.00000( //r2// ) ii sp3 7s s ii s2p2 7f 0.00000( //r2// ) ii sp3 7s s ii s2p2 8f 0.00000( //r2// ) ii sp3 7s s ii s2p2 9f 0.00000( //r2// ) ii sp3 7s s ii s2p2 6h 0.00000( //r2// ) ii sp3 7s s ii s2p2 7h 0.00000( //r2// ) ii sp3 7s s ii s2p2 8h 0.00000( //r2// ) ii sp3 7s s ii s2p2 9h 0.00000( //r2// ) ii sp3 7s s ii s2p2 8k 0.00000( //r2// ) ii sp3 7s s ii s2p2 9k 0.00000( //r2// ) ii sp3 7s s ii sp3 4s 0.00000( //r2// ) ii sp3 7s s ii sp3 5s 0.00000( //r2// ) ii sp3 7s s ii sp3 6s 0.00000( //r2// ) ii sp3 7s s ii sp3 7s -4.00096( 3p//r2// 3p) ii sp3 7s s ii sp3 8s 0.00000( //r2// ) ii sp3 7s s ii sp3 9s 0.00000( //r2// ) ii sp3 7s s ii sp3 3d 0.85359( 7s//r2// 3d) ii sp3 7s s ii sp3 4d 8.11942( 7s//r2// 4d) ii sp3 7s s ii sp3 5d 95.10925( 7s//r2// 5d) ii sp3 7s s ii sp3 6d -525.80508( 7s//r2// 6d) ii sp3 7s s ii sp3 7d 314.93878( 7s//r2// 7d) ii sp3 7s s ii sp3 8d 86.44604( 7s//r2// 8d) ii sp3 7s s ii sp3 9d 41.58153( 7s//r2// 9d) ii sp3 8s s ii s2p3 0.00000( //r2// ) ii sp3 8s s ii s2p2 4p 0.00000( //r2// ) ii sp3 8s s ii s2p2 5p 0.00000( //r2// ) ii sp3 8s s ii s2p2 6p 0.00000( //r2// ) ii sp3 8s s ii s2p2 7p 0.00000( //r2// ) ii sp3 8s s ii s2p2 8p 0.00000( //r2// ) ii sp3 8s s ii s2p2 9p 0.00000( //r2// ) ii sp3 8s s ii s2p2 4f 0.00000( //r2// ) ii sp3 8s s ii s2p2 5f 0.00000( //r2// ) ii sp3 8s s ii s2p2 6f 0.00000( //r2// ) ii sp3 8s s ii s2p2 7f 0.00000( //r2// ) ii sp3 8s s ii s2p2 8f 0.00000( //r2// ) ii sp3 8s s ii s2p2 9f 0.00000( //r2// ) ii sp3 8s s ii s2p2 6h 0.00000( //r2// ) ii sp3 8s s ii s2p2 7h 0.00000( //r2// ) ii sp3 8s s ii s2p2 8h 0.00000( //r2// ) ii sp3 8s s ii s2p2 9h 0.00000( //r2// ) ii sp3 8s s ii s2p2 8k 0.00000( //r2// ) ii sp3 8s s ii s2p2 9k 0.00000( //r2// ) ii sp3 8s s ii sp3 4s 0.00000( //r2// ) ii sp3 8s s ii sp3 5s 0.00000( //r2// ) ii sp3 8s s ii sp3 6s 0.00000( //r2// ) ii sp3 8s s ii sp3 7s 0.00000( //r2// ) ii sp3 8s s ii sp3 8s -3.99780( 3p//r2// 3p) ii sp3 8s s ii sp3 9s 0.00000( //r2// ) ii sp3 8s s ii sp3 3d 0.56239( 8s//r2// 3d) ii sp3 8s s ii sp3 4d 4.07979( 8s//r2// 4d) ii sp3 8s s ii sp3 5d 23.19341( 8s//r2// 5d) ii sp3 8s s ii sp3 6d 221.97231( 8s//r2// 6d) ii sp3 8s s ii sp3 7d -1049.85830( 8s//r2// 7d) ii sp3 8s s ii sp3 8d 564.66955( 8s//r2// 8d) ii sp3 8s s ii sp3 9d 153.24711( 8s//r2// 9d) ii sp3 9s s ii s2p3 0.00000( //r2// ) ii sp3 9s s ii s2p2 4p 0.00000( //r2// ) ii sp3 9s s ii s2p2 5p 0.00000( //r2// ) ii sp3 9s s ii s2p2 6p 0.00000( //r2// ) ii sp3 9s s ii s2p2 7p 0.00000( //r2// ) ii sp3 9s s ii s2p2 8p 0.00000( //r2// ) ii sp3 9s s ii s2p2 9p 0.00000( //r2// ) ii sp3 9s s ii s2p2 4f 0.00000( //r2// ) ii sp3 9s s ii s2p2 5f 0.00000( //r2// ) ii sp3 9s s ii s2p2 6f 0.00000( //r2// ) ii sp3 9s s ii s2p2 7f 0.00000( //r2// ) ii sp3 9s s ii s2p2 8f 0.00000( //r2// ) ii sp3 9s s ii s2p2 9f 0.00000( //r2// ) ii sp3 9s s ii s2p2 6h 0.00000( //r2// ) ii sp3 9s s ii s2p2 7h 0.00000( //r2// ) ii sp3 9s s ii s2p2 8h 0.00000( //r2// ) ii sp3 9s s ii s2p2 9h 0.00000( //r2// ) ii sp3 9s s ii s2p2 8k 0.00000( //r2// ) ii sp3 9s s ii s2p2 9k 0.00000( //r2// ) ii sp3 9s s ii sp3 4s 0.00000( //r2// ) ii sp3 9s s ii sp3 5s 0.00000( //r2// ) ii sp3 9s s ii sp3 6s 0.00000( //r2// ) ii sp3 9s s ii sp3 7s 0.00000( //r2// ) ii sp3 9s s ii sp3 8s 0.00000( //r2// ) ii sp3 9s s ii sp3 9s -3.99616( 3p//r2// 3p) ii sp3 9s s ii sp3 3d 0.41156( 9s//r2// 3d) ii sp3 9s s ii sp3 4d 2.59691( 9s//r2// 4d) ii sp3 9s s ii sp3 5d 11.24590( 9s//r2// 5d) ii sp3 9s s ii sp3 6d 51.81968( 9s//r2// 6d) ii sp3 9s s ii sp3 7d 443.09785( 9s//r2// 7d) ii sp3 9s s ii sp3 8d -1887.31684( 9s//r2// 8d) ii sp3 9s s ii sp3 9d 938.27841( 9s//r2// 9d) ii sp3 3d s ii s2p3 3.80387( 3d//r2// 3s) ii sp3 3d s ii s2p2 4p 0.00000( //r2// ) ii sp3 3d s ii s2p2 5p 0.00000( //r2// ) ii sp3 3d s ii s2p2 6p 0.00000( //r2// ) ii sp3 3d s ii s2p2 7p 0.00000( //r2// ) ii sp3 3d s ii s2p2 8p 0.00000( //r2// ) ii sp3 3d s ii s2p2 9p 0.00000( //r2// ) ii sp3 3d s ii s2p2 4f 0.00000( //r2// ) ii sp3 3d s ii s2p2 5f 0.00000( //r2// ) ii sp3 3d s ii s2p2 6f 0.00000( //r2// ) ii sp3 3d s ii s2p2 7f 0.00000( //r2// ) ii sp3 3d s ii s2p2 8f 0.00000( //r2// ) ii sp3 3d s ii s2p2 9f 0.00000( //r2// ) ii sp3 3d s ii s2p2 6h 0.00000( //r2// ) ii sp3 3d s ii s2p2 7h 0.00000( //r2// ) ii sp3 3d s ii s2p2 8h 0.00000( //r2// ) ii sp3 3d s ii s2p2 9h 0.00000( //r2// ) ii sp3 3d s ii s2p2 8k 0.00000( //r2// ) ii sp3 3d s ii s2p2 9k 0.00000( //r2// ) ii sp3 3d s ii sp3 4s -13.75340( 3d//r2// 4s) ii sp3 3d s ii sp3 5s 5.50246( 3d//r2// 5s) ii sp3 3d s ii sp3 6s 1.60100( 3d//r2// 6s) ii sp3 3d s ii sp3 7s 0.85359( 3d//r2// 7s) ii sp3 3d s ii sp3 8s 0.56239( 3d//r2// 8s) ii sp3 3d s ii sp3 9s 0.41156( 3d//r2// 9s) ii sp3 3d s ii sp3 3d -12.85221( 3d//r2// 3d) ii sp3 3d s ii sp3 4d 12.42283( 3d//r2// 4d) ii sp3 3d s ii sp3 5d 3.58232( 3d//r2// 5d) ii sp3 3d s ii sp3 6d 1.87097( 3d//r2// 6d) ii sp3 3d s ii sp3 7d 1.21201( 3d//r2// 7d) ii sp3 3d s ii sp3 8d 0.87477( 3d//r2// 8d) ii sp3 3d s ii sp3 9d 0.67333( 3d//r2// 9d) ii sp3 4d s ii s2p3 0.63323( 4d//r2// 3s) ii sp3 4d s ii s2p2 4p 0.00000( //r2// ) ii sp3 4d s ii s2p2 5p 0.00000( //r2// ) ii sp3 4d s ii s2p2 6p 0.00000( //r2// ) ii sp3 4d s ii s2p2 7p 0.00000( //r2// ) ii sp3 4d s ii s2p2 8p 0.00000( //r2// ) ii sp3 4d s ii s2p2 9p 0.00000( //r2// ) ii sp3 4d s ii s2p2 4f 0.00000( //r2// ) ii sp3 4d s ii s2p2 5f 0.00000( //r2// ) ii sp3 4d s ii s2p2 6f 0.00000( //r2// ) ii sp3 4d s ii s2p2 7f 0.00000( //r2// ) ii sp3 4d s ii s2p2 8f 0.00000( //r2// ) ii sp3 4d s ii s2p2 9f 0.00000( //r2// ) ii sp3 4d s ii s2p2 6h 0.00000( //r2// ) ii sp3 4d s ii s2p2 7h 0.00000( //r2// ) ii sp3 4d s ii s2p2 8h 0.00000( //r2// ) ii sp3 4d s ii s2p2 9h 0.00000( //r2// ) ii sp3 4d s ii s2p2 8k 0.00000( //r2// ) ii sp3 4d s ii s2p2 9k 0.00000( //r2// ) ii sp3 4d s ii sp3 4s 22.79031( 4d//r2// 4s) ii sp3 4d s ii sp3 5s -75.03590( 4d//r2// 5s) ii sp3 4d s ii sp3 6s 31.33886( 4d//r2// 6s) ii sp3 4d s ii sp3 7s 8.11942( 4d//r2// 7s) ii sp3 4d s ii sp3 8s 4.07979( 4d//r2// 8s) ii sp3 4d s ii sp3 9s 2.59691( 4d//r2// 9s) ii sp3 4d s ii sp3 3d 12.42283( 4d//r2// 3d) ii sp3 4d s ii sp3 4d -83.51393( 4d//r2// 4d) ii sp3 4d s ii sp3 5d 53.98166( 4d//r2// 5d) ii sp3 4d s ii sp3 6d 14.41815( 4d//r2// 6d) ii sp3 4d s ii sp3 7d 7.16094( 4d//r2// 7d) ii sp3 4d s ii sp3 8d 4.50197( 4d//r2// 8d) ii sp3 4d s ii sp3 9d 3.19246( 4d//r2// 9d) ii sp3 5d s ii s2p3 0.23707( 5d//r2// 3s) ii sp3 5d s ii s2p2 4p 0.00000( //r2// ) ii sp3 5d s ii s2p2 5p 0.00000( //r2// ) ii sp3 5d s ii s2p2 6p 0.00000( //r2// ) ii sp3 5d s ii s2p2 7p 0.00000( //r2// ) ii sp3 5d s ii s2p2 8p 0.00000( //r2// ) ii sp3 5d s ii s2p2 9p 0.00000( //r2// ) ii sp3 5d s ii s2p2 4f 0.00000( //r2// ) ii sp3 5d s ii s2p2 5f 0.00000( //r2// ) ii sp3 5d s ii s2p2 6f 0.00000( //r2// ) ii sp3 5d s ii s2p2 7f 0.00000( //r2// ) ii sp3 5d s ii s2p2 8f 0.00000( //r2// ) ii sp3 5d s ii s2p2 9f 0.00000( //r2// ) ii sp3 5d s ii s2p2 6h 0.00000( //r2// ) ii sp3 5d s ii s2p2 7h 0.00000( //r2// ) ii sp3 5d s ii s2p2 8h 0.00000( //r2// ) ii sp3 5d s ii s2p2 9h 0.00000( //r2// ) ii sp3 5d s ii s2p2 8k 0.00000( //r2// ) ii sp3 5d s ii s2p2 9k 0.00000( //r2// ) ii sp3 5d s ii sp3 4s 5.92030( 5d//r2// 4s) ii sp3 5d s ii sp3 5s 68.28918( 5d//r2// 5s) ii sp3 5d s ii sp3 6s -225.71160( 5d//r2// 6s) ii sp3 5d s ii sp3 7s 95.10925( 5d//r2// 7s) ii sp3 5d s ii sp3 8s 23.19341( 5d//r2// 8s) ii sp3 5d s ii sp3 9s 11.24590( 5d//r2// 9s) ii sp3 5d s ii sp3 3d 3.58232( 5d//r2// 3d) ii sp3 5d s ii sp3 4d 53.98166( 5d//r2// 4d) ii sp3 5d s ii sp3 5d -259.95123( 5d//r2// 5d) ii sp3 5d s ii sp3 6d 145.20527( 5d//r2// 6d) ii sp3 5d s ii sp3 7d 37.54656( 5d//r2// 7d) ii sp3 5d s ii sp3 8d 18.19519( 5d//r2// 8d) ii sp3 5d s ii sp3 9d 11.24407( 5d//r2// 9d) ii sp3 6d s ii s2p3 0.12093( 6d//r2// 3s) ii sp3 6d s ii s2p2 4p 0.00000( //r2// ) ii sp3 6d s ii s2p2 5p 0.00000( //r2// ) ii sp3 6d s ii s2p2 6p 0.00000( //r2// ) ii sp3 6d s ii s2p2 7p 0.00000( //r2// ) ii sp3 6d s ii s2p2 8p 0.00000( //r2// ) ii sp3 6d s ii s2p2 9p 0.00000( //r2// ) ii sp3 6d s ii s2p2 4f 0.00000( //r2// ) ii sp3 6d s ii s2p2 5f 0.00000( //r2// ) ii sp3 6d s ii s2p2 6f 0.00000( //r2// ) ii sp3 6d s ii s2p2 7f 0.00000( //r2// ) ii sp3 6d s ii s2p2 8f 0.00000( //r2// ) ii sp3 6d s ii s2p2 9f 0.00000( //r2// ) ii sp3 6d s ii s2p2 6h 0.00000( //r2// ) ii sp3 6d s ii s2p2 7h 0.00000( //r2// ) ii sp3 6d s ii s2p2 8h 0.00000( //r2// ) ii sp3 6d s ii s2p2 9h 0.00000( //r2// ) ii sp3 6d s ii s2p2 8k 0.00000( //r2// ) ii sp3 6d s ii s2p2 9k 0.00000( //r2// ) ii sp3 6d s ii sp3 4s 2.79835( 6d//r2// 4s) ii sp3 6d s ii sp3 5s 18.77869( 6d//r2// 5s) ii sp3 6d s ii sp3 6s 158.28570( 6d//r2// 6s) ii sp3 6d s ii sp3 7s -525.80508( 6d//r2// 7s) ii sp3 6d s ii sp3 8s 221.97231( 6d//r2// 8s) ii sp3 6d s ii sp3 9s 51.81968( 6d//r2// 9s) ii sp3 6d s ii sp3 3d 1.87097( 6d//r2// 3d) ii sp3 6d s ii sp3 4d 14.41815( 6d//r2// 4d) ii sp3 6d s ii sp3 5d 145.20527( 6d//r2// 5d) ii sp3 6d s ii sp3 6d -615.01833( 6d//r2// 6d) ii sp3 6d s ii sp3 7d 314.74569( 6d//r2// 7d) ii sp3 6d s ii sp3 8d 79.26040( 6d//r2// 8d) ii sp3 6d s ii sp3 9d 37.65299( 6d//r2// 9d) ii sp3 7d s ii s2p3 0.07310( 7d//r2// 3s) ii sp3 7d s ii s2p2 4p 0.00000( //r2// ) ii sp3 7d s ii s2p2 5p 0.00000( //r2// ) ii sp3 7d s ii s2p2 6p 0.00000( //r2// ) ii sp3 7d s ii s2p2 7p 0.00000( //r2// ) ii sp3 7d s ii s2p2 8p 0.00000( //r2// ) ii sp3 7d s ii s2p2 9p 0.00000( //r2// ) ii sp3 7d s ii s2p2 4f 0.00000( //r2// ) ii sp3 7d s ii s2p2 5f 0.00000( //r2// ) ii sp3 7d s ii s2p2 6f 0.00000( //r2// ) ii sp3 7d s ii s2p2 7f 0.00000( //r2// ) ii sp3 7d s ii s2p2 8f 0.00000( //r2// ) ii sp3 7d s ii s2p2 9f 0.00000( //r2// ) ii sp3 7d s ii s2p2 6h 0.00000( //r2// ) ii sp3 7d s ii s2p2 7h 0.00000( //r2// ) ii sp3 7d s ii s2p2 8h 0.00000( //r2// ) ii sp3 7d s ii s2p2 9h 0.00000( //r2// ) ii sp3 7d s ii s2p2 8k 0.00000( //r2// ) ii sp3 7d s ii s2p2 9k 0.00000( //r2// ) ii sp3 7d s ii sp3 4s 1.68670( 7d//r2// 4s) ii sp3 7d s ii sp3 5s 9.09330( 7d//r2// 5s) ii sp3 7d s ii sp3 6s 43.78881( 7d//r2// 6s) ii sp3 7d s ii sp3 7s 314.93878( 7d//r2// 7s) ii sp3 7d s ii sp3 8s -1049.85830( 7d//r2// 8s) ii sp3 7d s ii sp3 9s 443.09785( 7d//r2// 9s) ii sp3 7d s ii sp3 3d 1.21201( 7d//r2// 3d) ii sp3 7d s ii sp3 4d 7.16094( 7d//r2// 4d) ii sp3 7d s ii sp3 5d 37.54656( 7d//r2// 5d) ii sp3 7d s ii sp3 6d 314.74569( 7d//r2// 6d) ii sp3 7d s ii sp3 7d -1238.34116( 7d//r2// 7d) ii sp3 7d s ii sp3 8d 597.30408( 7d//r2// 8d) ii sp3 7d s ii sp3 9d 147.14081( 7d//r2// 9d) ii sp3 8d s ii s2p3 0.04921( 8d//r2// 3s) ii sp3 8d s ii s2p2 4p 0.00000( //r2// ) ii sp3 8d s ii s2p2 5p 0.00000( //r2// ) ii sp3 8d s ii s2p2 6p 0.00000( //r2// ) ii sp3 8d s ii s2p2 7p 0.00000( //r2// ) ii sp3 8d s ii s2p2 8p 0.00000( //r2// ) ii sp3 8d s ii s2p2 9p 0.00000( //r2// ) ii sp3 8d s ii s2p2 4f 0.00000( //r2// ) ii sp3 8d s ii s2p2 5f 0.00000( //r2// ) ii sp3 8d s ii s2p2 6f 0.00000( //r2// ) ii sp3 8d s ii s2p2 7f 0.00000( //r2// ) ii sp3 8d s ii s2p2 8f 0.00000( //r2// ) ii sp3 8d s ii s2p2 9f 0.00000( //r2// ) ii sp3 8d s ii s2p2 6h 0.00000( //r2// ) ii sp3 8d s ii s2p2 7h 0.00000( //r2// ) ii sp3 8d s ii s2p2 8h 0.00000( //r2// ) ii sp3 8d s ii s2p2 9h 0.00000( //r2// ) ii sp3 8d s ii s2p2 8k 0.00000( //r2// ) ii sp3 8d s ii s2p2 9k 0.00000( //r2// ) ii sp3 8d s ii sp3 4s 1.15576( 8d//r2// 4s) ii sp3 8d s ii sp3 5s 5.56431( 8d//r2// 5s) ii sp3 8d s ii sp3 6s 21.20842( 8d//r2// 6s) ii sp3 8d s ii sp3 7s 86.44604( 8d//r2// 7s) ii sp3 8d s ii sp3 8s 564.66955( 8d//r2// 8s) ii sp3 8d s ii sp3 9s -1887.31684( 8d//r2// 9s) ii sp3 8d s ii sp3 3d 0.87477( 8d//r2// 3d) ii sp3 8d s ii sp3 4d 4.50197( 8d//r2// 4d) ii sp3 8d s ii sp3 5d 18.19519( 8d//r2// 5d) ii sp3 8d s ii sp3 6d 79.26040( 8d//r2// 6d) ii sp3 8d s ii sp3 7d 597.30408( 8d//r2// 7d) ii sp3 8d s ii sp3 8d -2237.41181( 8d//r2// 8d) ii sp3 8d s ii sp3 9d 1033.87402( 8d//r2// 9d) ii sp3 9d s ii s2p3 0.03566( 9d//r2// 3s) ii sp3 9d s ii s2p2 4p 0.00000( //r2// ) ii sp3 9d s ii s2p2 5p 0.00000( //r2// ) ii sp3 9d s ii s2p2 6p 0.00000( //r2// ) ii sp3 9d s ii s2p2 7p 0.00000( //r2// ) ii sp3 9d s ii s2p2 8p 0.00000( //r2// ) ii sp3 9d s ii s2p2 9p 0.00000( //r2// ) ii sp3 9d s ii s2p2 4f 0.00000( //r2// ) ii sp3 9d s ii s2p2 5f 0.00000( //r2// ) ii sp3 9d s ii s2p2 6f 0.00000( //r2// ) ii sp3 9d s ii s2p2 7f 0.00000( //r2// ) ii sp3 9d s ii s2p2 8f 0.00000( //r2// ) ii sp3 9d s ii s2p2 9f 0.00000( //r2// ) ii sp3 9d s ii s2p2 6h 0.00000( //r2// ) ii sp3 9d s ii s2p2 7h 0.00000( //r2// ) ii sp3 9d s ii s2p2 8h 0.00000( //r2// ) ii sp3 9d s ii s2p2 9h 0.00000( //r2// ) ii sp3 9d s ii s2p2 8k 0.00000( //r2// ) ii sp3 9d s ii s2p2 9k 0.00000( //r2// ) ii sp3 9d s ii sp3 4s 0.85608( 9d//r2// 4s) ii sp3 9d s ii sp3 5s 3.85695( 9d//r2// 5s) ii sp3 9d s ii sp3 6s 12.96752( 9d//r2// 6s) ii sp3 9d s ii sp3 7s 41.58153( 9d//r2// 7s) ii sp3 9d s ii sp3 8s 153.24711( 9d//r2// 8s) ii sp3 9d s ii sp3 9s 938.27841( 9d//r2// 9s) ii sp3 9d s ii sp3 3d 0.67333( 9d//r2// 3d) ii sp3 9d s ii sp3 4d 3.19246( 9d//r2// 4d) ii sp3 9d s ii sp3 5d 11.24407( 9d//r2// 5d) ii sp3 9d s ii sp3 6d 37.65299( 9d//r2// 6d) ii sp3 9d s ii sp3 7d 147.14081( 9d//r2// 7d) ii sp3 9d s ii sp3 8d 1033.87402( 9d//r2// 8d) ii sp3 9d s ii sp3 9d -3737.60634( 9d//r2// 9d) ii s2p2 4s s ii s2p2 4s -4.18345( 3p//r2// 3p) ii s2p2 4s s ii s2p2 5s 0.00000( //r2// ) ii s2p2 4s s ii s2p2 6s 0.00000( //r2// ) ii s2p2 4s s ii s2p2 7s 0.00000( //r2// ) ii s2p2 4s s ii s2p2 8s 0.00000( //r2// ) ii s2p2 4s s ii s2p2 9s 0.00000( //r2// ) ii s2p2 4s s ii s2p2 3d -14.67149( 4s//r2// 3d) ii s2p2 4s s ii s2p2 4d 22.87847( 4s//r2// 4d) ii s2p2 4s s ii s2p2 5d 6.07681( 4s//r2// 5d) ii s2p2 4s s ii s2p2 6d 2.89496( 4s//r2// 6d) ii s2p2 4s s ii s2p2 7d 1.75413( 4s//r2// 7d) ii s2p2 4s s ii s2p2 8d 1.20702( 4s//r2// 8d) ii s2p2 4s s ii s2p2 9d 0.89722( 4s//r2// 9d) ii s2p2 4s s ii s2p2 5g 0.00000( //r2// ) ii s2p2 4s s ii s2p2 6g 0.00000( //r2// ) ii s2p2 4s s ii s2p2 7g 0.00000( //r2// ) ii s2p2 4s s ii s2p2 8g 0.00000( //r2// ) ii s2p2 4s s ii s2p2 9g 0.00000( //r2// ) ii s2p2 4s s ii s2p2 7i 0.00000( //r2// ) ii s2p2 4s s ii s2p2 8i 0.00000( //r2// ) ii s2p2 4s s ii s2p2 9i 0.00000( //r2// ) ii s2p2 4s s ii sp4 0.00000( //r2// ) ii s2p2 4s s ii sp3 4p 0.00000( //r2// ) ii s2p2 4s s ii sp3 5p 0.00000( //r2// ) ii s2p2 4s s ii sp3 6p 0.00000( //r2// ) ii s2p2 4s s ii sp3 7p 0.00000( //r2// ) ii s2p2 4s s ii sp3 8p 0.00000( //r2// ) ii s2p2 4s s ii sp3 9p 0.00000( //r2// ) ii s2p2 4s s ii sp3 4f 0.00000( //r2// ) ii s2p2 4s s ii sp3 5f 0.00000( //r2// ) ii s2p2 4s s ii sp3 6f 0.00000( //r2// ) ii s2p2 4s s ii sp3 7f 0.00000( //r2// ) ii s2p2 4s s ii sp3 8f 0.00000( //r2// ) ii s2p2 4s s ii sp3 9f 0.00000( //r2// ) ii s2p2 5s s ii s2p2 4s 0.00000( //r2// ) ii s2p2 5s s ii s2p2 5s -4.08425( 3p//r2// 3p) ii s2p2 5s s ii s2p2 6s 0.00000( //r2// ) ii s2p2 5s s ii s2p2 7s 0.00000( //r2// ) ii s2p2 5s s ii s2p2 8s 0.00000( //r2// ) ii s2p2 5s s ii s2p2 9s 0.00000( //r2// ) ii s2p2 5s s ii s2p2 3d 6.40571( 5s//r2// 3d) ii s2p2 5s s ii s2p2 4d -76.73879( 5s//r2// 4d) ii s2p2 5s s ii s2p2 5d 68.23502( 5s//r2// 5d) ii s2p2 5s s ii s2p2 6d 19.07136( 5s//r2// 6d) ii s2p2 5s s ii s2p2 7d 9.29822( 5s//r2// 7d) ii s2p2 5s s ii s2p2 8d 5.71387( 5s//r2// 8d) ii s2p2 5s s ii s2p2 9d 3.97279( 5s//r2// 9d) ii s2p2 5s s ii s2p2 5g 0.00000( //r2// ) ii s2p2 5s s ii s2p2 6g 0.00000( //r2// ) ii s2p2 5s s ii s2p2 7g 0.00000( //r2// ) ii s2p2 5s s ii s2p2 8g 0.00000( //r2// ) ii s2p2 5s s ii s2p2 9g 0.00000( //r2// ) ii s2p2 5s s ii s2p2 7i 0.00000( //r2// ) ii s2p2 5s s ii s2p2 8i 0.00000( //r2// ) ii s2p2 5s s ii s2p2 9i 0.00000( //r2// ) ii s2p2 5s s ii sp4 0.00000( //r2// ) ii s2p2 5s s ii sp3 4p 0.00000( //r2// ) ii s2p2 5s s ii sp3 5p 0.00000( //r2// ) ii s2p2 5s s ii sp3 6p 0.00000( //r2// ) ii s2p2 5s s ii sp3 7p 0.00000( //r2// ) ii s2p2 5s s ii sp3 8p 0.00000( //r2// ) ii s2p2 5s s ii sp3 9p 0.00000( //r2// ) ii s2p2 5s s ii sp3 4f 0.00000( //r2// ) ii s2p2 5s s ii sp3 5f 0.00000( //r2// ) ii s2p2 5s s ii sp3 6f 0.00000( //r2// ) ii s2p2 5s s ii sp3 7f 0.00000( //r2// ) ii s2p2 5s s ii sp3 8f 0.00000( //r2// ) ii s2p2 5s s ii sp3 9f 0.00000( //r2// ) ii s2p2 6s s ii s2p2 4s 0.00000( //r2// ) ii s2p2 6s s ii s2p2 5s 0.00000( //r2// ) ii s2p2 6s s ii s2p2 6s -4.06308( 3p//r2// 3p) ii s2p2 6s s ii s2p2 7s 0.00000( //r2// ) ii s2p2 6s s ii s2p2 8s 0.00000( //r2// ) ii s2p2 6s s ii s2p2 9s 0.00000( //r2// ) ii s2p2 6s s ii s2p2 3d 1.76701( 6s//r2// 3d) ii s2p2 6s s ii s2p2 4d 32.94110( 6s//r2// 4d) ii s2p2 6s s ii s2p2 5d -229.15832( 6s//r2// 5d) ii s2p2 6s s ii s2p2 6d 157.49105( 6s//r2// 6d) ii s2p2 6s s ii s2p2 7d 44.23723( 6s//r2// 7d) ii s2p2 6s s ii s2p2 8d 21.56775( 6s//r2// 8d) ii s2p2 6s s ii s2p2 9d 13.24044( 6s//r2// 9d) ii s2p2 6s s ii s2p2 5g 0.00000( //r2// ) ii s2p2 6s s ii s2p2 6g 0.00000( //r2// ) ii s2p2 6s s ii s2p2 7g 0.00000( //r2// ) ii s2p2 6s s ii s2p2 8g 0.00000( //r2// ) ii s2p2 6s s ii s2p2 9g 0.00000( //r2// ) ii s2p2 6s s ii s2p2 7i 0.00000( //r2// ) ii s2p2 6s s ii s2p2 8i 0.00000( //r2// ) ii s2p2 6s s ii s2p2 9i 0.00000( //r2// ) ii s2p2 6s s ii sp4 0.00000( //r2// ) ii s2p2 6s s ii sp3 4p 0.00000( //r2// ) ii s2p2 6s s ii sp3 5p 0.00000( //r2// ) ii s2p2 6s s ii sp3 6p 0.00000( //r2// ) ii s2p2 6s s ii sp3 7p 0.00000( //r2// ) ii s2p2 6s s ii sp3 8p 0.00000( //r2// ) ii s2p2 6s s ii sp3 9p 0.00000( //r2// ) ii s2p2 6s s ii sp3 4f 0.00000( //r2// ) ii s2p2 6s s ii sp3 5f 0.00000( //r2// ) ii s2p2 6s s ii sp3 6f 0.00000( //r2// ) ii s2p2 6s s ii sp3 7f 0.00000( //r2// ) ii s2p2 6s s ii sp3 8f 0.00000( //r2// ) ii s2p2 6s s ii sp3 9f 0.00000( //r2// ) ii s2p2 7s s ii s2p2 4s 0.00000( //r2// ) ii s2p2 7s s ii s2p2 5s 0.00000( //r2// ) ii s2p2 7s s ii s2p2 6s 0.00000( //r2// ) ii s2p2 7s s ii s2p2 7s -4.05569( 3p//r2// 3p) ii s2p2 7s s ii s2p2 8s 0.00000( //r2// ) ii s2p2 7s s ii s2p2 9s 0.00000( //r2// ) ii s2p2 7s s ii s2p2 3d 0.92747( 7s//r2// 3d) ii s2p2 7s s ii s2p2 4d 8.38710( 7s//r2// 4d) ii s2p2 7s s ii s2p2 5d 98.61939( 7s//r2// 5d) ii s2p2 7s s ii s2p2 6d -532.00223( 7s//r2// 6d) ii s2p2 7s s ii s2p2 7d 312.35481( 7s//r2// 7d) ii s2p2 7s s ii s2p2 8d 87.03502( 7s//r2// 8d) ii s2p2 7s s ii s2p2 9d 42.13805( 7s//r2// 9d) ii s2p2 7s s ii s2p2 5g 0.00000( //r2// ) ii s2p2 7s s ii s2p2 6g 0.00000( //r2// ) ii s2p2 7s s ii s2p2 7g 0.00000( //r2// ) ii s2p2 7s s ii s2p2 8g 0.00000( //r2// ) ii s2p2 7s s ii s2p2 9g 0.00000( //r2// ) ii s2p2 7s s ii s2p2 7i 0.00000( //r2// ) ii s2p2 7s s ii s2p2 8i 0.00000( //r2// ) ii s2p2 7s s ii s2p2 9i 0.00000( //r2// ) ii s2p2 7s s ii sp4 0.00000( //r2// ) ii s2p2 7s s ii sp3 4p 0.00000( //r2// ) ii s2p2 7s s ii sp3 5p 0.00000( //r2// ) ii s2p2 7s s ii sp3 6p 0.00000( //r2// ) ii s2p2 7s s ii sp3 7p 0.00000( //r2// ) ii s2p2 7s s ii sp3 8p 0.00000( //r2// ) ii s2p2 7s s ii sp3 9p 0.00000( //r2// ) ii s2p2 7s s ii sp3 4f 0.00000( //r2// ) ii s2p2 7s s ii sp3 5f 0.00000( //r2// ) ii s2p2 7s s ii sp3 6f 0.00000( //r2// ) ii s2p2 7s s ii sp3 7f 0.00000( //r2// ) ii s2p2 7s s ii sp3 8f 0.00000( //r2// ) ii s2p2 7s s ii sp3 9f 0.00000( //r2// ) ii s2p2 8s s ii s2p2 4s 0.00000( //r2// ) ii s2p2 8s s ii s2p2 5s 0.00000( //r2// ) ii s2p2 8s s ii s2p2 6s 0.00000( //r2// ) ii s2p2 8s s ii s2p2 7s 0.00000( //r2// ) ii s2p2 8s s ii s2p2 8s -4.05240( 3p//r2// 3p) ii s2p2 8s s ii s2p2 9s 0.00000( //r2// ) ii s2p2 8s s ii s2p2 3d 0.60670( 8s//r2// 3d) ii s2p2 8s s ii s2p2 4d 4.19236( 8s//r2// 4d) ii s2p2 8s s ii s2p2 5d 23.69878( 8s//r2// 5d) ii s2p2 8s s ii s2p2 6d 229.06160( 8s//r2// 6d) ii s2p2 8s s ii s2p2 7d -1059.98621( 8s//r2// 7d) ii s2p2 8s s ii s2p2 8d 558.67008( 8s//r2// 8d) ii s2p2 8s s ii s2p2 9d 153.91764( 8s//r2// 9d) ii s2p2 8s s ii s2p2 5g 0.00000( //r2// ) ii s2p2 8s s ii s2p2 6g 0.00000( //r2// ) ii s2p2 8s s ii s2p2 7g 0.00000( //r2// ) ii s2p2 8s s ii s2p2 8g 0.00000( //r2// ) ii s2p2 8s s ii s2p2 9g 0.00000( //r2// ) ii s2p2 8s s ii s2p2 7i 0.00000( //r2// ) ii s2p2 8s s ii s2p2 8i 0.00000( //r2// ) ii s2p2 8s s ii s2p2 9i 0.00000( //r2// ) ii s2p2 8s s ii sp4 0.00000( //r2// ) ii s2p2 8s s ii sp3 4p 0.00000( //r2// ) ii s2p2 8s s ii sp3 5p 0.00000( //r2// ) ii s2p2 8s s ii sp3 6p 0.00000( //r2// ) ii s2p2 8s s ii sp3 7p 0.00000( //r2// ) ii s2p2 8s s ii sp3 8p 0.00000( //r2// ) ii s2p2 8s s ii sp3 9p 0.00000( //r2// ) ii s2p2 8s s ii sp3 4f 0.00000( //r2// ) ii s2p2 8s s ii sp3 5f 0.00000( //r2// ) ii s2p2 8s s ii sp3 6f 0.00000( //r2// ) ii s2p2 8s s ii sp3 7f 0.00000( //r2// ) ii s2p2 8s s ii sp3 8f 0.00000( //r2// ) ii s2p2 8s s ii sp3 9f 0.00000( //r2// ) ii s2p2 9s s ii s2p2 4s 0.00000( //r2// ) ii s2p2 9s s ii s2p2 5s 0.00000( //r2// ) ii s2p2 9s s ii s2p2 6s 0.00000( //r2// ) ii s2p2 9s s ii s2p2 7s 0.00000( //r2// ) ii s2p2 9s s ii s2p2 8s 0.00000( //r2// ) ii s2p2 9s s ii s2p2 9s -4.05069( 3p//r2// 3p) ii s2p2 9s s ii s2p2 3d 0.44223( 9s//r2// 3d) ii s2p2 9s s ii s2p2 4d 2.66206( 9s//r2// 4d) ii s2p2 9s s ii s2p2 5d 11.43957( 9s//r2// 5d) ii s2p2 9s s ii s2p2 6d 52.70359( 9s//r2// 6d) ii s2p2 9s s ii s2p2 7d 456.17652( 9s//r2// 7d) ii s2p2 9s s ii s2p2 8d -1902.71880( 9s//r2// 8d) ii s2p2 9s s ii s2p2 9d 926.52114( 9s//r2// 9d) ii s2p2 9s s ii s2p2 5g 0.00000( //r2// ) ii s2p2 9s s ii s2p2 6g 0.00000( //r2// ) ii s2p2 9s s ii s2p2 7g 0.00000( //r2// ) ii s2p2 9s s ii s2p2 8g 0.00000( //r2// ) ii s2p2 9s s ii s2p2 9g 0.00000( //r2// ) ii s2p2 9s s ii s2p2 7i 0.00000( //r2// ) ii s2p2 9s s ii s2p2 8i 0.00000( //r2// ) ii s2p2 9s s ii s2p2 9i 0.00000( //r2// ) ii s2p2 9s s ii sp4 0.00000( //r2// ) ii s2p2 9s s ii sp3 4p 0.00000( //r2// ) ii s2p2 9s s ii sp3 5p 0.00000( //r2// ) ii s2p2 9s s ii sp3 6p 0.00000( //r2// ) ii s2p2 9s s ii sp3 7p 0.00000( //r2// ) ii s2p2 9s s ii sp3 8p 0.00000( //r2// ) ii s2p2 9s s ii sp3 9p 0.00000( //r2// ) ii s2p2 9s s ii sp3 4f 0.00000( //r2// ) ii s2p2 9s s ii sp3 5f 0.00000( //r2// ) ii s2p2 9s s ii sp3 6f 0.00000( //r2// ) ii s2p2 9s s ii sp3 7f 0.00000( //r2// ) ii s2p2 9s s ii sp3 8f 0.00000( //r2// ) ii s2p2 9s s ii sp3 9f 0.00000( //r2// ) ii s2p2 3d s ii s2p2 4s -14.67149( 3d//r2// 4s) ii s2p2 3d s ii s2p2 5s 6.40571( 3d//r2// 5s) ii s2p2 3d s ii s2p2 6s 1.76701( 3d//r2// 6s) ii s2p2 3d s ii s2p2 7s 0.92747( 3d//r2// 7s) ii s2p2 3d s ii s2p2 8s 0.60670( 3d//r2// 8s) ii s2p2 3d s ii s2p2 9s 0.44223( 3d//r2// 9s) ii s2p2 3d s ii s2p2 3d -13.87800( 3d//r2// 3d) ii s2p2 3d s ii s2p2 4d 13.55134( 3d//r2// 4d) ii s2p2 3d s ii s2p2 5d 3.71940( 3d//r2// 5d) ii s2p2 3d s ii s2p2 6d 1.90522( 3d//r2// 6d) ii s2p2 3d s ii s2p2 7d 1.22266( 3d//r2// 7d) ii s2p2 3d s ii s2p2 8d 0.87794( 3d//r2// 8d) ii s2p2 3d s ii s2p2 9d 0.67372( 3d//r2// 9d) ii s2p2 3d s ii s2p2 5g 11.27269( 3d//r2// 5g) ii s2p2 3d s ii s2p2 6g 8.37201( 3d//r2// 6g) ii s2p2 3d s ii s2p2 7g 6.38837( 3d//r2// 7g) ii s2p2 3d s ii s2p2 8g 5.07238( 3d//r2// 8g) ii s2p2 3d s ii s2p2 9g 4.15732( 3d//r2// 9g) ii s2p2 3d s ii s2p2 7i 0.00000( //r2// ) ii s2p2 3d s ii s2p2 8i 0.00000( //r2// ) ii s2p2 3d s ii s2p2 9i 0.00000( //r2// ) ii s2p2 3d s ii sp4 0.00000( //r2// ) ii s2p2 3d s ii sp3 4p 0.00000( //r2// ) ii s2p2 3d s ii sp3 5p 0.00000( //r2// ) ii s2p2 3d s ii sp3 6p 0.00000( //r2// ) ii s2p2 3d s ii sp3 7p 0.00000( //r2// ) ii s2p2 3d s ii sp3 8p 0.00000( //r2// ) ii s2p2 3d s ii sp3 9p 0.00000( //r2// ) ii s2p2 3d s ii sp3 4f 0.00000( //r2// ) ii s2p2 3d s ii sp3 5f 0.00000( //r2// ) ii s2p2 3d s ii sp3 6f 0.00000( //r2// ) ii s2p2 3d s ii sp3 7f 0.00000( //r2// ) ii s2p2 3d s ii sp3 8f 0.00000( //r2// ) ii s2p2 3d s ii sp3 9f 0.00000( //r2// ) ii s2p2 4d s ii s2p2 4s 22.87847( 4d//r2// 4s) ii s2p2 4d s ii s2p2 5s -76.73879( 4d//r2// 5s) ii s2p2 4d s ii s2p2 6s 32.94110( 4d//r2// 6s) ii s2p2 4d s ii s2p2 7s 8.38710( 4d//r2// 7s) ii s2p2 4d s ii s2p2 8s 4.19236( 4d//r2// 8s) ii s2p2 4d s ii s2p2 9s 2.66206( 4d//r2// 9s) ii s2p2 4d s ii s2p2 3d 13.55134( 4d//r2// 3d) ii s2p2 4d s ii s2p2 4d -85.59055( 4d//r2// 4d) ii s2p2 4d s ii s2p2 5d 55.41369( 4d//r2// 5d) ii s2p2 4d s ii s2p2 6d 14.72241( 4d//r2// 6d) ii s2p2 4d s ii s2p2 7d 7.29268( 4d//r2// 7d) ii s2p2 4d s ii s2p2 8d 4.57832( 4d//r2// 8d) ii s2p2 4d s ii s2p2 9d 3.24406( 4d//r2// 9d) ii s2p2 4d s ii s2p2 5g -131.77741( 4d//r2// 5g) ii s2p2 4d s ii s2p2 6g -38.55823( 4d//r2// 6g) ii s2p2 4d s ii s2p2 7g -17.52189( 4d//r2// 7g) ii s2p2 4d s ii s2p2 8g -9.92267( 4d//r2// 8g) ii s2p2 4d s ii s2p2 9g -6.40213( 4d//r2// 9g) ii s2p2 4d s ii s2p2 7i 0.00000( //r2// ) ii s2p2 4d s ii s2p2 8i 0.00000( //r2// ) ii s2p2 4d s ii s2p2 9i 0.00000( //r2// ) ii s2p2 4d s ii sp4 0.00000( //r2// ) ii s2p2 4d s ii sp3 4p 0.00000( //r2// ) ii s2p2 4d s ii sp3 5p 0.00000( //r2// ) ii s2p2 4d s ii sp3 6p 0.00000( //r2// ) ii s2p2 4d s ii sp3 7p 0.00000( //r2// ) ii s2p2 4d s ii sp3 8p 0.00000( //r2// ) ii s2p2 4d s ii sp3 9p 0.00000( //r2// ) ii s2p2 4d s ii sp3 4f 0.00000( //r2// ) ii s2p2 4d s ii sp3 5f 0.00000( //r2// ) ii s2p2 4d s ii sp3 6f 0.00000( //r2// ) ii s2p2 4d s ii sp3 7f 0.00000( //r2// ) ii s2p2 4d s ii sp3 8f 0.00000( //r2// ) ii s2p2 4d s ii sp3 9f 0.00000( //r2// ) ii s2p2 5d s ii s2p2 4s 6.07681( 5d//r2// 4s) ii s2p2 5d s ii s2p2 5s 68.23502( 5d//r2// 5s) ii s2p2 5d s ii s2p2 6s -229.15832( 5d//r2// 6s) ii s2p2 5d s ii s2p2 7s 98.61939( 5d//r2// 7s) ii s2p2 5d s ii s2p2 8s 23.69878( 5d//r2// 8s) ii s2p2 5d s ii s2p2 9s 11.43957( 5d//r2// 9s) ii s2p2 5d s ii s2p2 3d 3.71940( 5d//r2// 3d) ii s2p2 5d s ii s2p2 4d 55.41369( 5d//r2// 4d) ii s2p2 5d s ii s2p2 5d -264.41781( 5d//r2// 5d) ii s2p2 5d s ii s2p2 6d 147.60827( 5d//r2// 6d) ii s2p2 5d s ii s2p2 7d 38.10904( 5d//r2// 7d) ii s2p2 5d s ii s2p2 8d 18.45260( 5d//r2// 8d) ii s2p2 5d s ii s2p2 9d 11.39826( 5d//r2// 9d) ii s2p2 5d s ii s2p2 5g 317.67706( 5d//r2// 5g) ii s2p2 5d s ii s2p2 6g -241.59250( 5d//r2// 6g) ii s2p2 5d s ii s2p2 7g -94.66845( 5d//r2// 7g) ii s2p2 5d s ii s2p2 8g -50.61443( 5d//r2// 8g) ii s2p2 5d s ii s2p2 9g -32.10213( 5d//r2// 9g) ii s2p2 5d s ii s2p2 7i 0.00000( //r2// ) ii s2p2 5d s ii s2p2 8i 0.00000( //r2// ) ii s2p2 5d s ii s2p2 9i 0.00000( //r2// ) ii s2p2 5d s ii sp4 0.00000( //r2// ) ii s2p2 5d s ii sp3 4p 0.00000( //r2// ) ii s2p2 5d s ii sp3 5p 0.00000( //r2// ) ii s2p2 5d s ii sp3 6p 0.00000( //r2// ) ii s2p2 5d s ii sp3 7p 0.00000( //r2// ) ii s2p2 5d s ii sp3 8p 0.00000( //r2// ) ii s2p2 5d s ii sp3 9p 0.00000( //r2// ) ii s2p2 5d s ii sp3 4f 0.00000( //r2// ) ii s2p2 5d s ii sp3 5f 0.00000( //r2// ) ii s2p2 5d s ii sp3 6f 0.00000( //r2// ) ii s2p2 5d s ii sp3 7f 0.00000( //r2// ) ii s2p2 5d s ii sp3 8f 0.00000( //r2// ) ii s2p2 5d s ii sp3 9f 0.00000( //r2// ) ii s2p2 6d s ii s2p2 4s 2.89496( 6d//r2// 4s) ii s2p2 6d s ii s2p2 5s 19.07136( 6d//r2// 5s) ii s2p2 6d s ii s2p2 6s 157.49105( 6d//r2// 6s) ii s2p2 6d s ii s2p2 7s -532.00223( 6d//r2// 7s) ii s2p2 6d s ii s2p2 8s 229.06160( 6d//r2// 8s) ii s2p2 6d s ii s2p2 9s 52.70359( 6d//r2// 9s) ii s2p2 6d s ii s2p2 3d 1.90522( 6d//r2// 3d) ii s2p2 6d s ii s2p2 4d 14.72241( 6d//r2// 4d) ii s2p2 6d s ii s2p2 5d 147.60827( 6d//r2// 5d) ii s2p2 6d s ii s2p2 6d -623.31935( 6d//r2// 6d) ii s2p2 6d s ii s2p2 7d 318.69414( 6d//r2// 7d) ii s2p2 6d s ii s2p2 8d 80.20462( 6d//r2// 8d) ii s2p2 6d s ii s2p2 9d 38.08897( 6d//r2// 9d) ii s2p2 6d s ii s2p2 5g -181.01504( 6d//r2// 5g) ii s2p2 6d s ii s2p2 6g 838.91176( 6d//r2// 6g) ii s2p2 6d s ii s2p2 7g -387.65737( 6d//r2// 7g) ii s2p2 6d s ii s2p2 8g -168.30232( 6d//r2// 8g) ii s2p2 6d s ii s2p2 9g -94.98812( 6d//r2// 9g) ii s2p2 6d s ii s2p2 7i 0.00000( //r2// ) ii s2p2 6d s ii s2p2 8i 0.00000( //r2// ) ii s2p2 6d s ii s2p2 9i 0.00000( //r2// ) ii s2p2 6d s ii sp4 0.00000( //r2// ) ii s2p2 6d s ii sp3 4p 0.00000( //r2// ) ii s2p2 6d s ii sp3 5p 0.00000( //r2// ) ii s2p2 6d s ii sp3 6p 0.00000( //r2// ) ii s2p2 6d s ii sp3 7p 0.00000( //r2// ) ii s2p2 6d s ii sp3 8p 0.00000( //r2// ) ii s2p2 6d s ii sp3 9p 0.00000( //r2// ) ii s2p2 6d s ii sp3 4f 0.00000( //r2// ) ii s2p2 6d s ii sp3 5f 0.00000( //r2// ) ii s2p2 6d s ii sp3 6f 0.00000( //r2// ) ii s2p2 6d s ii sp3 7f 0.00000( //r2// ) ii s2p2 6d s ii sp3 8f 0.00000( //r2// ) ii 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s2p2 9i 0.00000( //r2// ) ii s2p2 7d s ii sp4 0.00000( //r2// ) ii s2p2 7d s ii sp3 4p 0.00000( //r2// ) ii s2p2 7d s ii sp3 5p 0.00000( //r2// ) ii s2p2 7d s ii sp3 6p 0.00000( //r2// ) ii s2p2 7d s ii sp3 7p 0.00000( //r2// ) ii s2p2 7d s ii sp3 8p 0.00000( //r2// ) ii s2p2 7d s ii sp3 9p 0.00000( //r2// ) ii s2p2 7d s ii sp3 4f 0.00000( //r2// ) ii s2p2 7d s ii sp3 5f 0.00000( //r2// ) ii s2p2 7d s ii sp3 6f 0.00000( //r2// ) ii s2p2 7d s ii sp3 7f 0.00000( //r2// ) ii s2p2 7d s ii sp3 8f 0.00000( //r2// ) ii s2p2 7d s ii sp3 9f 0.00000( //r2// ) ii s2p2 8d s ii s2p2 4s 1.20702( 8d//r2// 4s) ii s2p2 8d s ii s2p2 5s 5.71387( 8d//r2// 5s) ii s2p2 8d s ii s2p2 6s 21.56775( 8d//r2// 6s) ii s2p2 8d s ii s2p2 7s 87.03502( 8d//r2// 7s) ii s2p2 8d s ii s2p2 8s 558.67008( 8d//r2// 8s) ii s2p2 8d s ii s2p2 9s -1902.71880( 8d//r2// 9s) ii s2p2 8d s ii s2p2 3d 0.87794( 8d//r2// 3d) ii s2p2 8d s ii s2p2 4d 4.57832( 8d//r2// 4d) ii s2p2 8d s ii s2p2 5d 18.45260( 8d//r2// 5d) ii s2p2 8d s ii s2p2 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0.00000( //r2// ) ii s2p2 9d s ii s2p2 9i 0.00000( //r2// ) ii s2p2 9d s ii sp4 0.00000( //r2// ) ii s2p2 9d s ii sp3 4p 0.00000( //r2// ) ii s2p2 9d s ii sp3 5p 0.00000( //r2// ) ii s2p2 9d s ii sp3 6p 0.00000( //r2// ) ii s2p2 9d s ii sp3 7p 0.00000( //r2// ) ii s2p2 9d s ii sp3 8p 0.00000( //r2// ) ii s2p2 9d s ii sp3 9p 0.00000( //r2// ) ii s2p2 9d s ii sp3 4f 0.00000( //r2// ) ii s2p2 9d s ii sp3 5f 0.00000( //r2// ) ii s2p2 9d s ii sp3 6f 0.00000( //r2// ) ii s2p2 9d s ii sp3 7f 0.00000( //r2// ) ii s2p2 9d s ii sp3 8f 0.00000( //r2// ) ii s2p2 9d s ii sp3 9f 0.00000( //r2// ) ii s2p2 5g s ii s2p2 4s 0.00000( //r2// ) ii s2p2 5g s ii s2p2 5s 0.00000( //r2// ) ii s2p2 5g s ii s2p2 6s 0.00000( //r2// ) ii s2p2 5g s ii s2p2 7s 0.00000( //r2// ) ii s2p2 5g s ii s2p2 8s 0.00000( //r2// ) ii s2p2 5g s ii s2p2 9s 0.00000( //r2// ) ii s2p2 5g s ii s2p2 3d 11.27269( 5g//r2// 3d) ii s2p2 5g s ii s2p2 4d -131.77741( 5g//r2// 4d) ii s2p2 5g s ii s2p2 5d 317.67706( 5g//r2// 5d) ii s2p2 5g s ii s2p2 6d -181.01504( 5g//r2// 6d) ii s2p2 5g s ii s2p2 7d -15.59363( 5g//r2// 7d) ii s2p2 5g s ii s2p2 8d -5.99933( 5g//r2// 8d) ii s2p2 5g s ii s2p2 9d -3.37599( 5g//r2// 9d) ii s2p2 5g s ii s2p2 5g -315.12285( 5g//r2// 5g) ii s2p2 5g s ii s2p2 6g 188.24348( 5g//r2// 6g) ii s2p2 5g s ii s2p2 7g 40.66935( 5g//r2// 7g) ii s2p2 5g s ii s2p2 8g 17.77764( 5g//r2// 8g) ii s2p2 5g s ii s2p2 9g 10.28737( 5g//r2// 9g) ii s2p2 5g s ii s2p2 7i 396.23305( 5g//r2// 7i) ii s2p2 5g s ii s2p2 8i 199.87448( 5g//r2// 8i) ii s2p2 5g s ii s2p2 9i 122.62321( 5g//r2// 9i) ii s2p2 5g s ii sp4 0.00000( //r2// ) ii s2p2 5g s ii sp3 4p 0.00000( //r2// ) ii s2p2 5g s ii sp3 5p 0.00000( //r2// ) ii s2p2 5g s ii sp3 6p 0.00000( //r2// ) ii s2p2 5g s ii sp3 7p 0.00000( //r2// ) ii s2p2 5g s ii sp3 8p 0.00000( //r2// ) ii s2p2 5g s ii sp3 9p 0.00000( //r2// ) ii s2p2 5g s ii sp3 4f 0.00000( //r2// ) ii s2p2 5g s ii sp3 5f 0.00000( //r2// ) ii s2p2 5g s ii sp3 6f 0.00000( //r2// ) ii s2p2 5g s ii sp3 7f 0.00000( //r2// ) ii s2p2 5g s ii sp3 8f 0.00000( //r2// ) ii s2p2 5g s ii sp3 9f 0.00000( //r2// ) ii s2p2 6g s ii s2p2 4s 0.00000( //r2// ) ii s2p2 6g s ii s2p2 5s 0.00000( //r2// ) ii s2p2 6g s ii s2p2 6s 0.00000( //r2// ) ii s2p2 6g s ii s2p2 7s 0.00000( //r2// ) ii s2p2 6g s ii s2p2 8s 0.00000( //r2// ) ii s2p2 6g s ii s2p2 9s 0.00000( //r2// ) ii s2p2 6g s ii s2p2 3d 8.37201( 6g//r2// 3d) ii s2p2 6g s ii s2p2 4d -38.55823( 6g//r2// 4d) ii s2p2 6g s ii s2p2 5d -241.59250( 6g//r2// 5d) ii s2p2 6g s ii s2p2 6d 838.91176( 6g//r2// 6d) ii s2p2 6g s ii s2p2 7d -527.15264( 6g//r2// 7d) ii s2p2 6g s ii s2p2 8d -40.93259( 6g//r2// 8d) ii s2p2 6g s ii s2p2 9d -15.21322( 6g//r2// 9d) ii s2p2 6g s ii s2p2 5g 188.24348( 6g//r2// 5g) ii s2p2 6g s ii s2p2 6g -831.57065( 6g//r2// 6g) ii s2p2 6g s ii s2p2 7g 452.90914( 6g//r2// 7g) ii s2p2 6g s ii s2p2 8g 101.70974( 6g//r2// 8g) ii s2p2 6g s ii s2p2 9g 44.98099( 6g//r2// 9g) ii s2p2 6g s ii s2p2 7i -1197.71629( 6g//r2// 7i) ii s2p2 6g s ii s2p2 8i 283.40502( 6g//r2// 8i) ii s2p2 6g s ii s2p2 9i 222.33871( 6g//r2// 9i) ii s2p2 6g s ii sp4 0.00000( //r2// ) ii s2p2 6g s ii sp3 4p 0.00000( //r2// ) ii s2p2 6g s ii sp3 5p 0.00000( //r2// ) ii s2p2 6g s ii sp3 6p 0.00000( //r2// ) ii s2p2 6g s ii sp3 7p 0.00000( //r2// ) ii s2p2 6g s ii sp3 8p 0.00000( //r2// ) ii s2p2 6g s ii sp3 9p 0.00000( //r2// ) ii s2p2 6g s ii sp3 4f 0.00000( //r2// ) ii s2p2 6g s ii sp3 5f 0.00000( //r2// ) ii s2p2 6g s ii sp3 6f 0.00000( //r2// ) ii s2p2 6g s ii sp3 7f 0.00000( //r2// ) ii s2p2 6g s ii sp3 8f 0.00000( //r2// ) ii s2p2 6g s ii sp3 9f 0.00000( //r2// ) ii s2p2 7g s ii s2p2 4s 0.00000( //r2// ) ii s2p2 7g s ii s2p2 5s 0.00000( //r2// ) ii s2p2 7g s ii s2p2 6s 0.00000( //r2// ) ii s2p2 7g s ii s2p2 7s 0.00000( //r2// ) ii s2p2 7g s ii s2p2 8s 0.00000( //r2// ) ii s2p2 7g s ii s2p2 9s 0.00000( //r2// ) ii s2p2 7g s ii s2p2 3d 6.38837( 7g//r2// 3d) ii s2p2 7g s ii s2p2 4d -17.52189( 7g//r2// 4d) ii s2p2 7g s ii s2p2 5d -94.66845( 7g//r2// 5d) ii s2p2 7g s ii s2p2 6d -387.65737( 7g//r2// 6d) ii s2p2 7g s ii s2p2 7d 1724.06825( 7g//r2// 7d) ii s2p2 7g s ii s2p2 8d -1155.97341( 7g//r2// 8d) ii s2p2 7g s ii s2p2 9d -81.37335( 7g//r2// 9d) ii s2p2 7g s ii s2p2 5g 40.66935( 7g//r2// 5g) ii s2p2 7g s ii s2p2 6g 452.90914( 7g//r2// 6g) ii s2p2 7g s ii s2p2 7g -1739.52538( 7g//r2// 7g) ii s2p2 7g s ii s2p2 8g 880.19100( 7g//r2// 8g) ii s2p2 7g s ii s2p2 9g 200.00024( 7g//r2// 9g) ii s2p2 7g s ii s2p2 7i 1095.19699( 7g//r2// 7i) ii s2p2 7g s ii s2p2 8i -2393.14285( 7g//r2// 8i) ii s2p2 7g s ii s2p2 9i 104.79355( 7g//r2// 9i) ii s2p2 7g s ii sp4 0.00000( //r2// ) ii s2p2 7g s ii sp3 4p 0.00000( //r2// ) ii s2p2 7g s ii sp3 5p 0.00000( //r2// ) ii s2p2 7g s ii sp3 6p 0.00000( //r2// ) ii s2p2 7g s ii sp3 7p 0.00000( //r2// ) ii s2p2 7g s ii sp3 8p 0.00000( //r2// ) ii s2p2 7g s ii sp3 9p 0.00000( //r2// ) ii s2p2 7g s ii sp3 4f 0.00000( //r2// ) ii s2p2 7g s ii sp3 5f 0.00000( //r2// ) ii s2p2 7g s ii sp3 6f 0.00000( //r2// ) ii s2p2 7g s ii sp3 7f 0.00000( //r2// ) ii s2p2 7g s ii sp3 8f 0.00000( //r2// ) ii s2p2 7g s ii sp3 9f 0.00000( //r2// ) ii s2p2 8g s ii s2p2 4s 0.00000( //r2// ) ii s2p2 8g s ii s2p2 5s 0.00000( //r2// ) ii s2p2 8g s ii s2p2 6s 0.00000( //r2// ) ii s2p2 8g s ii s2p2 7s 0.00000( //r2// ) ii s2p2 8g s ii s2p2 8s 0.00000( //r2// ) ii s2p2 8g s ii s2p2 9s 0.00000( //r2// ) ii s2p2 8g s ii s2p2 3d 5.07238( 8g//r2// 3d) ii s2p2 8g s ii s2p2 4d -9.92267( 8g//r2// 4d) ii s2p2 8g s ii s2p2 5d -50.61443( 8g//r2// 5d) ii s2p2 8g s ii s2p2 6d -168.30232( 8g//r2// 6d) ii s2p2 8g s ii s2p2 7d -579.94091( 8g//r2// 7d) ii s2p2 8g s ii s2p2 8d 3107.41079( 8g//r2// 8d) ii s2p2 8g s ii s2p2 9d -2183.17593( 8g//r2// 9d) ii s2p2 8g s ii s2p2 5g 17.77764( 8g//r2// 5g) ii s2p2 8g s ii s2p2 6g 101.70974( 8g//r2// 6g) ii s2p2 8g s ii s2p2 7g 880.19100( 8g//r2// 7g) ii s2p2 8g s ii s2p2 8g -3187.87460( 8g//r2// 8g) ii s2p2 8g s ii s2p2 9g 1528.44303( 8g//r2// 9g) ii s2p2 8g s ii s2p2 7i -160.74316( 8g//r2// 7i) ii s2p2 8g s ii s2p2 8i 2676.63413( 8g//r2// 8i) ii s2p2 8g s ii s2p2 9i -4017.79436( 8g//r2// 9i) ii s2p2 8g s ii sp4 0.00000( //r2// ) ii s2p2 8g s ii sp3 4p 0.00000( //r2// ) ii s2p2 8g s ii sp3 5p 0.00000( //r2// ) ii s2p2 8g s ii sp3 6p 0.00000( //r2// ) ii s2p2 8g s ii sp3 7p 0.00000( //r2// ) ii s2p2 8g s ii sp3 8p 0.00000( //r2// ) ii s2p2 8g s ii sp3 9p 0.00000( //r2// ) ii s2p2 8g s ii sp3 4f 0.00000( //r2// ) ii s2p2 8g s ii sp3 5f 0.00000( //r2// ) ii s2p2 8g s ii sp3 6f 0.00000( //r2// ) ii s2p2 8g s ii sp3 7f 0.00000( //r2// ) ii s2p2 8g s ii sp3 8f 0.00000( //r2// ) ii s2p2 8g s ii sp3 9f 0.00000( //r2// ) ii s2p2 9g s ii s2p2 4s 0.00000( //r2// ) ii s2p2 9g s ii s2p2 5s 0.00000( //r2// ) ii s2p2 9g s ii s2p2 6s 0.00000( //r2// ) ii s2p2 9g s ii s2p2 7s 0.00000( //r2// ) ii s2p2 9g s ii s2p2 8s 0.00000( //r2// ) ii s2p2 9g s ii s2p2 9s 0.00000( //r2// ) ii s2p2 9g s ii s2p2 3d 4.15732( 9g//r2// 3d) ii s2p2 9g s ii s2p2 4d -6.40213( 9g//r2// 4d) ii s2p2 9g s ii s2p2 5d -32.10213( 9g//r2// 5d) ii s2p2 9g s ii s2p2 6d -94.98812( 9g//r2// 6d) ii s2p2 9g s ii s2p2 7d -264.73121( 9g//r2// 7d) ii s2p2 9g s ii s2p2 8d -827.23191( 9g//r2// 8d) ii s2p2 9g s ii s2p2 9d 5141.22230( 9g//r2// 9d) ii s2p2 9g s ii s2p2 5g 10.28737( 9g//r2// 5g) ii s2p2 9g s ii s2p2 6g 44.98099( 9g//r2// 6g) ii s2p2 9g s ii s2p2 7g 200.00024( 9g//r2// 7g) ii s2p2 9g s ii s2p2 8g 1528.44303( 9g//r2// 8g) ii s2p2 9g s ii s2p2 9g -5348.40532( 9g//r2// 9g) ii s2p2 9g s ii s2p2 7i -35.40481( 9g//r2// 7i) ii s2p2 9g s ii s2p2 8i -444.89275( 9g//r2// 8i) ii s2p2 9g s ii s2p2 9i 5146.68951( 9g//r2// 9i) ii s2p2 9g s ii sp4 0.00000( //r2// ) ii s2p2 9g s ii sp3 4p 0.00000( //r2// ) ii s2p2 9g s ii sp3 5p 0.00000( //r2// ) ii s2p2 9g s ii sp3 6p 0.00000( //r2// ) ii s2p2 9g s ii sp3 7p 0.00000( //r2// ) ii s2p2 9g s ii sp3 8p 0.00000( //r2// ) ii s2p2 9g s ii sp3 9p 0.00000( //r2// ) ii s2p2 9g s ii sp3 4f 0.00000( //r2// ) ii s2p2 9g s ii sp3 5f 0.00000( //r2// ) ii s2p2 9g s ii sp3 6f 0.00000( //r2// ) ii s2p2 9g s ii sp3 7f 0.00000( //r2// ) ii s2p2 9g s ii sp3 8f 0.00000( //r2// ) ii s2p2 9g s ii sp3 9f 0.00000( //r2// ) ii s2p2 7i s ii s2p2 4s 0.00000( //r2// ) ii s2p2 7i s ii s2p2 5s 0.00000( //r2// ) ii s2p2 7i s ii s2p2 6s 0.00000( //r2// ) ii s2p2 7i s ii s2p2 7s 0.00000( //r2// ) ii s2p2 7i s ii s2p2 8s 0.00000( //r2// ) ii s2p2 7i s ii s2p2 9s 0.00000( //r2// ) ii s2p2 7i s ii s2p2 3d 0.00000( //r2// ) ii s2p2 7i s ii s2p2 4d 0.00000( //r2// ) ii s2p2 7i s ii s2p2 5d 0.00000( //r2// ) ii s2p2 7i s ii s2p2 6d 0.00000( //r2// ) ii s2p2 7i s ii s2p2 7d 0.00000( //r2// ) ii s2p2 7i s ii s2p2 8d 0.00000( //r2// ) ii s2p2 7i s ii s2p2 9d 0.00000( //r2// ) ii s2p2 7i s ii s2p2 5g 396.23305( 7i//r2// 5g) ii s2p2 7i s ii s2p2 6g -1197.71629( 7i//r2// 6g) ii s2p2 7i s ii s2p2 7g 1095.19699( 7i//r2// 7g) ii s2p2 7i s ii s2p2 8g -160.74316( 7i//r2// 8g) ii s2p2 7i s ii s2p2 9g -35.40481( 7i//r2// 9g) ii s2p2 7i s ii s2p2 7i -1337.02522( 7i//r2// 7i) ii s2p2 7i s ii s2p2 8i 686.58845( 7i//r2// 8i) ii s2p2 7i s ii s2p2 9i 127.39211( 7i//r2// 9i) ii s2p2 7i s ii sp4 0.00000( //r2// ) ii s2p2 7i s ii sp3 4p 0.00000( //r2// ) ii s2p2 7i s ii sp3 5p 0.00000( //r2// ) ii s2p2 7i s ii sp3 6p 0.00000( //r2// ) ii s2p2 7i s ii sp3 7p 0.00000( //r2// ) ii s2p2 7i s ii sp3 8p 0.00000( //r2// ) ii s2p2 7i s ii sp3 9p 0.00000( //r2// ) ii s2p2 7i s ii sp3 4f 0.00000( //r2// ) ii s2p2 7i s ii sp3 5f 0.00000( //r2// ) ii s2p2 7i s ii sp3 6f 0.00000( //r2// ) ii s2p2 7i s ii sp3 7f 0.00000( //r2// ) ii s2p2 7i s ii sp3 8f 0.00000( //r2// ) ii s2p2 7i s ii sp3 9f 0.00000( //r2// ) ii s2p2 8i s ii s2p2 4s 0.00000( //r2// ) ii s2p2 8i s ii s2p2 5s 0.00000( //r2// ) ii s2p2 8i s ii s2p2 6s 0.00000( //r2// ) ii s2p2 8i s ii s2p2 7s 0.00000( //r2// ) ii s2p2 8i s ii s2p2 8s 0.00000( //r2// ) ii s2p2 8i s ii s2p2 9s 0.00000( //r2// ) ii s2p2 8i s ii s2p2 3d 0.00000( //r2// ) ii s2p2 8i s ii s2p2 4d 0.00000( //r2// ) ii s2p2 8i s ii s2p2 5d 0.00000( //r2// ) ii s2p2 8i s ii s2p2 6d 0.00000( //r2// ) ii s2p2 8i s ii s2p2 7d 0.00000( //r2// ) ii s2p2 8i s ii s2p2 8d 0.00000( //r2// ) ii s2p2 8i s ii s2p2 9d 0.00000( //r2// ) ii s2p2 8i s ii s2p2 5g 199.87448( 8i//r2// 5g) ii s2p2 8i s ii s2p2 6g 283.40502( 8i//r2// 6g) ii s2p2 8i s ii s2p2 7g -2393.14285( 8i//r2// 7g) ii s2p2 8i s ii s2p2 8g 2676.63413( 8i//r2// 8g) ii s2p2 8i s ii s2p2 9g -444.89275( 8i//r2// 9g) ii s2p2 8i s ii s2p2 7i 686.58845( 8i//r2// 7i) ii s2p2 8i s ii s2p2 8i -2837.77364( 8i//r2// 8i) ii s2p2 8i s ii s2p2 9i 1436.70016( 8i//r2// 9i) ii s2p2 8i s ii sp4 0.00000( //r2// ) ii s2p2 8i s ii sp3 4p 0.00000( //r2// ) ii s2p2 8i s ii sp3 5p 0.00000( //r2// ) ii s2p2 8i s ii sp3 6p 0.00000( //r2// ) ii s2p2 8i s ii sp3 7p 0.00000( //r2// ) ii s2p2 8i s ii sp3 8p 0.00000( //r2// ) ii s2p2 8i s ii sp3 9p 0.00000( //r2// ) ii s2p2 8i s ii sp3 4f 0.00000( //r2// ) ii s2p2 8i s ii sp3 5f 0.00000( //r2// ) ii s2p2 8i s ii sp3 6f 0.00000( //r2// ) ii s2p2 8i s ii sp3 7f 0.00000( //r2// ) ii s2p2 8i s ii sp3 8f 0.00000( //r2// ) ii s2p2 8i s ii sp3 9f 0.00000( //r2// ) ii s2p2 9i s ii s2p2 4s 0.00000( //r2// ) ii s2p2 9i s ii s2p2 5s 0.00000( //r2// ) ii s2p2 9i s ii s2p2 6s 0.00000( //r2// ) ii s2p2 9i s ii s2p2 7s 0.00000( //r2// ) ii s2p2 9i s ii s2p2 8s 0.00000( //r2// ) ii s2p2 9i s ii s2p2 9s 0.00000( //r2// ) ii s2p2 9i s ii s2p2 3d 0.00000( //r2// ) ii s2p2 9i s ii s2p2 4d 0.00000( //r2// ) ii s2p2 9i s ii s2p2 5d 0.00000( //r2// ) ii s2p2 9i s ii s2p2 6d 0.00000( //r2// ) ii s2p2 9i s ii s2p2 7d 0.00000( //r2// ) ii s2p2 9i s ii s2p2 8d 0.00000( //r2// ) ii s2p2 9i s ii s2p2 9d 0.00000( //r2// ) ii s2p2 9i s ii s2p2 5g 122.62321( 9i//r2// 5g) ii s2p2 9i s ii s2p2 6g 222.33871( 9i//r2// 6g) ii s2p2 9i s ii s2p2 7g 104.79355( 9i//r2// 7g) ii s2p2 9i s ii s2p2 8g -4017.79436( 9i//r2// 8g) ii s2p2 9i s ii s2p2 9g 5146.68951( 9i//r2// 9g) ii s2p2 9i s ii s2p2 7i 127.39211( 9i//r2// 7i) ii s2p2 9i s ii s2p2 8i 1436.70016( 9i//r2// 8i) ii s2p2 9i s ii s2p2 9i -5157.08644( 9i//r2// 9i) ii s2p2 9i s ii sp4 0.00000( //r2// ) ii s2p2 9i s ii sp3 4p 0.00000( //r2// ) ii s2p2 9i s ii sp3 5p 0.00000( //r2// ) ii s2p2 9i s ii sp3 6p 0.00000( //r2// ) ii s2p2 9i s ii sp3 7p 0.00000( //r2// ) ii s2p2 9i s ii sp3 8p 0.00000( //r2// ) ii s2p2 9i s ii sp3 9p 0.00000( //r2// ) ii s2p2 9i s ii sp3 4f 0.00000( //r2// ) ii s2p2 9i s ii sp3 5f 0.00000( //r2// ) ii s2p2 9i s ii sp3 6f 0.00000( //r2// ) ii s2p2 9i s ii sp3 7f 0.00000( //r2// ) ii s2p2 9i s ii sp3 8f 0.00000( //r2// ) ii s2p2 9i s ii sp3 9f 0.00000( //r2// ) ii sp4 s ii s2p2 4s 0.00000( //r2// ) ii sp4 s ii s2p2 5s 0.00000( //r2// ) ii sp4 s ii s2p2 6s 0.00000( //r2// ) ii sp4 s ii s2p2 7s 0.00000( //r2// ) ii sp4 s ii s2p2 8s 0.00000( //r2// ) ii sp4 s ii s2p2 9s 0.00000( //r2// ) ii sp4 s ii s2p2 3d 0.00000( //r2// ) ii sp4 s ii s2p2 4d 0.00000( //r2// ) ii sp4 s ii s2p2 5d 0.00000( //r2// ) ii sp4 s ii s2p2 6d 0.00000( //r2// ) ii sp4 s ii s2p2 7d 0.00000( //r2// ) ii sp4 s ii s2p2 8d 0.00000( //r2// ) ii sp4 s ii s2p2 9d 0.00000( //r2// ) ii sp4 s ii s2p2 5g 0.00000( //r2// ) ii sp4 s ii s2p2 6g 0.00000( //r2// ) ii sp4 s ii s2p2 7g 0.00000( //r2// ) ii sp4 s ii s2p2 8g 0.00000( //r2// ) ii sp4 s ii s2p2 9g 0.00000( //r2// ) ii sp4 s ii s2p2 7i 0.00000( //r2// ) ii sp4 s ii s2p2 8i 0.00000( //r2// ) ii sp4 s ii s2p2 9i 0.00000( //r2// ) ii sp4 s ii sp4 -4.60201( 3p//r2// 3p) ii sp4 s ii sp3 4p 3.24651( 3p//r2// 4p) ii sp4 s ii sp3 5p 1.27661( 3p//r2// 5p) ii sp4 s ii sp3 6p 0.74596( 3p//r2// 6p) ii sp4 s ii sp3 7p 0.50959( 3p//r2// 7p) ii sp4 s ii sp3 8p 0.37875( 3p//r2// 8p) ii sp4 s ii sp3 9p 0.29679( 3p//r2// 9p) ii sp4 s ii sp3 4f -2.68781( 3p//r2// 4f) ii sp4 s ii sp3 5f -2.06071( 3p//r2// 5f) ii sp4 s ii sp3 6f -1.58862( 3p//r2// 6f) ii sp4 s ii sp3 7f -1.26249( 3p//r2// 7f) ii sp4 s ii sp3 8f -1.03148( 3p//r2// 8f) ii sp4 s ii sp3 9f -0.86215( 3p//r2// 9f) ii sp3 4p s ii s2p2 4s 0.00000( //r2// ) ii sp3 4p s ii s2p2 5s 0.00000( //r2// ) ii sp3 4p s ii s2p2 6s 0.00000( //r2// ) ii sp3 4p s ii s2p2 7s 0.00000( //r2// ) ii sp3 4p s ii s2p2 8s 0.00000( //r2// ) ii sp3 4p s ii s2p2 9s 0.00000( //r2// ) ii sp3 4p s ii s2p2 3d 0.00000( //r2// ) ii sp3 4p s ii s2p2 4d 0.00000( //r2// ) ii sp3 4p s ii s2p2 5d 0.00000( //r2// ) ii sp3 4p s ii s2p2 6d 0.00000( //r2// ) ii sp3 4p s ii s2p2 7d 0.00000( //r2// ) ii sp3 4p s ii s2p2 8d 0.00000( //r2// ) ii sp3 4p s ii s2p2 9d 0.00000( //r2// ) ii sp3 4p s ii s2p2 5g 0.00000( //r2// ) ii sp3 4p s ii s2p2 6g 0.00000( //r2// ) ii sp3 4p s ii s2p2 7g 0.00000( //r2// ) ii sp3 4p s ii s2p2 8g 0.00000( //r2// ) ii sp3 4p s ii s2p2 9g 0.00000( //r2// ) ii sp3 4p s ii s2p2 7i 0.00000( //r2// ) ii sp3 4p s ii s2p2 8i 0.00000( //r2// ) ii sp3 4p s ii s2p2 9i 0.00000( //r2// ) ii sp3 4p s ii sp4 3.24651( 4p//r2// 3p) ii sp3 4p s ii sp3 4p -36.11216( 4p//r2// 4p) ii sp3 4p s ii sp3 5p 23.14469( 4p//r2// 5p) ii sp3 4p s ii sp3 6p 6.98384( 4p//r2// 6p) ii sp3 4p s ii sp3 7p 3.70550( 4p//r2// 7p) ii sp3 4p s ii sp3 8p 2.42446( 4p//r2// 8p) ii sp3 4p s ii sp3 9p 1.76434( 4p//r2// 9p) ii sp3 4p s ii sp3 4f 52.26944( 4p//r2// 4f) ii sp3 4p s ii sp3 5f 9.88460( 4p//r2// 5f) ii sp3 4p s ii sp3 6f 3.00246( 4p//r2// 6f) ii sp3 4p s ii sp3 7f 1.01236( 4p//r2// 7f) ii sp3 4p s ii sp3 8f 0.26723( 4p//r2// 8f) ii sp3 4p s ii sp3 9f -0.05158( 4p//r2// 9f) ii sp3 5p s ii s2p2 4s 0.00000( //r2// ) ii sp3 5p s ii s2p2 5s 0.00000( //r2// ) ii sp3 5p s ii s2p2 6s 0.00000( //r2// ) ii sp3 5p s ii s2p2 7s 0.00000( //r2// ) ii sp3 5p s ii s2p2 8s 0.00000( //r2// ) ii sp3 5p s ii s2p2 9s 0.00000( //r2// ) ii sp3 5p s ii s2p2 3d 0.00000( //r2// ) ii sp3 5p s ii s2p2 4d 0.00000( //r2// ) ii sp3 5p s ii s2p2 5d 0.00000( //r2// ) ii sp3 5p s ii s2p2 6d 0.00000( //r2// ) ii sp3 5p s ii s2p2 7d 0.00000( //r2// ) ii sp3 5p s ii s2p2 8d 0.00000( //r2// ) ii sp3 5p s ii s2p2 9d 0.00000( //r2// ) ii sp3 5p s ii s2p2 5g 0.00000( //r2// ) ii sp3 5p s ii s2p2 6g 0.00000( //r2// ) ii sp3 5p s ii s2p2 7g 0.00000( //r2// ) ii sp3 5p s ii s2p2 8g 0.00000( //r2// ) ii sp3 5p s ii s2p2 9g 0.00000( //r2// ) ii sp3 5p s ii s2p2 7i 0.00000( //r2// ) ii sp3 5p s ii s2p2 8i 0.00000( //r2// ) ii sp3 5p s ii s2p2 9i 0.00000( //r2// ) ii sp3 5p s ii sp4 1.27661( 5p//r2// 3p) ii sp3 5p s ii sp3 4p 23.14469( 5p//r2// 4p) ii sp3 5p s ii sp3 5p -131.98511( 5p//r2// 5p) ii sp3 5p s ii sp3 6p 74.10296( 5p//r2// 6p) ii sp3 5p s ii sp3 7p 20.64857( 5p//r2// 7p) ii sp3 5p s ii sp3 8p 10.47687( 5p//r2// 8p) ii sp3 5p s ii sp3 9p 6.67361( 5p//r2// 9p) ii sp3 5p s ii sp3 4f -122.44686( 5p//r2// 4f) ii sp3 5p s ii sp3 5f 139.77176( 5p//r2// 5f) ii sp3 5p s ii sp3 6f 35.91866( 5p//r2// 6f) ii sp3 5p s ii sp3 7f 15.19993( 5p//r2// 7f) ii sp3 5p s ii sp3 8f 8.12034( 5p//r2// 8f) ii sp3 5p s ii sp3 9f 4.96348( 5p//r2// 9f) ii sp3 6p s ii s2p2 4s 0.00000( //r2// ) ii sp3 6p s ii s2p2 5s 0.00000( //r2// ) ii sp3 6p s ii s2p2 6s 0.00000( //r2// ) ii sp3 6p s ii s2p2 7s 0.00000( //r2// ) ii sp3 6p s ii s2p2 8s 0.00000( //r2// ) ii sp3 6p s ii s2p2 9s 0.00000( //r2// ) ii sp3 6p s ii s2p2 3d 0.00000( //r2// ) ii sp3 6p s ii s2p2 4d 0.00000( //r2// ) ii sp3 6p s ii s2p2 5d 0.00000( //r2// ) ii sp3 6p s ii s2p2 6d 0.00000( //r2// ) ii sp3 6p s ii s2p2 7d 0.00000( //r2// ) ii sp3 6p s ii s2p2 8d 0.00000( //r2// ) ii sp3 6p s ii s2p2 9d 0.00000( //r2// ) ii sp3 6p s ii s2p2 5g 0.00000( //r2// ) ii sp3 6p s ii s2p2 6g 0.00000( //r2// ) ii sp3 6p s ii s2p2 7g 0.00000( //r2// ) ii sp3 6p s ii s2p2 8g 0.00000( //r2// ) ii sp3 6p s ii s2p2 9g 0.00000( //r2// ) ii sp3 6p s ii s2p2 7i 0.00000( //r2// ) ii sp3 6p s ii s2p2 8i 0.00000( //r2// ) ii sp3 6p s ii s2p2 9i 0.00000( //r2// ) ii sp3 6p s ii sp4 0.74596( 6p//r2// 3p) ii sp3 6p s ii sp3 4p 6.98384( 6p//r2// 4p) ii sp3 6p s ii sp3 5p 74.10296( 6p//r2// 5p) ii sp3 6p s ii sp3 6p -345.77798( 6p//r2// 6p) ii sp3 6p s ii sp3 7p 177.95663( 6p//r2// 7p) ii sp3 6p s ii sp3 8p 47.24833( 6p//r2// 8p) ii sp3 6p s ii sp3 9p 23.24282( 6p//r2// 9p) ii sp3 6p s ii sp3 4f 50.04325( 6p//r2// 4f) ii sp3 6p s ii sp3 5f -375.29418( 6p//r2// 5f) ii sp3 6p s ii sp3 6f 296.78019( 6p//r2// 6f) ii sp3 6p s ii sp3 7f 82.56353( 6p//r2// 7f) ii sp3 6p s ii sp3 8f 37.61812( 6p//r2// 8f) ii sp3 6p s ii sp3 9f 21.51401( 6p//r2// 9f) ii sp3 7p s ii s2p2 4s 0.00000( //r2// ) ii sp3 7p s ii s2p2 5s 0.00000( //r2// ) ii sp3 7p s ii s2p2 6s 0.00000( //r2// ) ii sp3 7p s ii s2p2 7s 0.00000( //r2// ) ii sp3 7p s ii s2p2 8s 0.00000( //r2// ) ii sp3 7p s ii s2p2 9s 0.00000( //r2// ) ii sp3 7p s ii s2p2 3d 0.00000( //r2// ) ii sp3 7p s ii s2p2 4d 0.00000( //r2// ) ii sp3 7p s ii s2p2 5d 0.00000( //r2// ) ii sp3 7p s ii s2p2 6d 0.00000( //r2// ) ii sp3 7p s ii s2p2 7d 0.00000( //r2// ) ii sp3 7p s ii s2p2 8d 0.00000( //r2// ) ii sp3 7p s ii s2p2 9d 0.00000( //r2// ) ii sp3 7p s ii s2p2 5g 0.00000( //r2// ) ii sp3 7p s ii s2p2 6g 0.00000( //r2// ) ii sp3 7p s ii s2p2 7g 0.00000( //r2// ) ii sp3 7p s ii s2p2 8g 0.00000( //r2// ) ii sp3 7p s ii s2p2 9g 0.00000( //r2// ) ii sp3 7p s ii s2p2 7i 0.00000( //r2// ) ii sp3 7p s ii s2p2 8i 0.00000( //r2// ) ii sp3 7p s ii s2p2 9i 0.00000( //r2// ) ii sp3 7p s ii sp4 0.50959( 7p//r2// 3p) ii sp3 7p s ii sp3 4p 3.70550( 7p//r2// 4p) ii sp3 7p s ii sp3 5p 20.64857( 7p//r2// 5p) ii sp3 7p s ii sp3 6p 177.95663( 7p//r2// 6p) ii sp3 7p s ii sp3 7p -747.81643( 7p//r2// 7p) ii sp3 7p s ii sp3 8p 362.43391( 7p//r2// 8p) ii sp3 7p s ii sp3 9p 92.91731( 7p//r2// 9p) ii sp3 7p s ii sp3 4f 10.22394( 7p//r2// 4f) ii sp3 7p s ii sp3 5f 156.60811( 7p//r2// 5f) ii sp3 7p s ii sp3 6f -860.21439( 7p//r2// 6f) ii sp3 7p s ii sp3 7f 553.43979( 7p//r2// 7f) ii sp3 7p s ii sp3 8f 157.74555( 7p//r2// 8f) ii sp3 7p s ii sp3 9f 73.75386( 7p//r2// 9f) ii sp3 8p s ii s2p2 4s 0.00000( //r2// ) ii sp3 8p s ii s2p2 5s 0.00000( //r2// ) ii sp3 8p s ii s2p2 6s 0.00000( //r2// ) ii sp3 8p s ii s2p2 7s 0.00000( //r2// ) ii sp3 8p s ii s2p2 8s 0.00000( //r2// ) ii sp3 8p s ii s2p2 9s 0.00000( //r2// ) ii sp3 8p s ii s2p2 3d 0.00000( //r2// ) ii sp3 8p s ii s2p2 4d 0.00000( //r2// ) ii sp3 8p s ii s2p2 5d 0.00000( //r2// ) ii sp3 8p s ii s2p2 6d 0.00000( //r2// ) ii sp3 8p s ii s2p2 7d 0.00000( //r2// ) ii sp3 8p s ii s2p2 8d 0.00000( //r2// ) ii sp3 8p s ii s2p2 9d 0.00000( //r2// ) ii sp3 8p s ii s2p2 5g 0.00000( //r2// ) ii sp3 8p s ii s2p2 6g 0.00000( //r2// ) ii sp3 8p s ii s2p2 7g 0.00000( //r2// ) ii sp3 8p s ii s2p2 8g 0.00000( //r2// ) ii sp3 8p s ii s2p2 9g 0.00000( //r2// ) ii sp3 8p s ii s2p2 7i 0.00000( //r2// ) ii sp3 8p s ii s2p2 8i 0.00000( //r2// ) ii sp3 8p s ii s2p2 9i 0.00000( //r2// ) ii sp3 8p s ii sp4 0.37875( 8p//r2// 3p) ii sp3 8p s ii sp3 4p 2.42446( 8p//r2// 4p) ii sp3 8p s ii sp3 5p 10.47687( 8p//r2// 5p) ii sp3 8p s ii sp3 6p 47.24833( 8p//r2// 6p) ii sp3 8p s ii sp3 7p 362.43391( 8p//r2// 7p) ii sp3 8p s ii sp3 8p -1424.85112( 8p//r2// 8p) ii sp3 8p s ii sp3 9p 661.01957( 8p//r2// 9p) ii sp3 8p s ii sp3 4f 4.74127( 8p//r2// 4f) ii sp3 8p s ii sp3 5f 31.38228( 8p//r2// 5f) ii sp3 8p s ii sp3 6f 363.03965( 8p//r2// 6f) ii sp3 8p s ii sp3 7f -1685.22245( 8p//r2// 7f) ii sp3 8p s ii sp3 8f 944.81521( 8p//r2// 8f) ii sp3 8p s ii sp3 9f 270.70935( 8p//r2// 9f) ii sp3 9p s ii s2p2 4s 0.00000( //r2// ) ii sp3 9p s ii s2p2 5s 0.00000( //r2// ) ii sp3 9p s ii s2p2 6s 0.00000( //r2// ) ii sp3 9p s ii s2p2 7s 0.00000( //r2// ) ii sp3 9p s ii s2p2 8s 0.00000( //r2// ) ii sp3 9p s ii s2p2 9s 0.00000( //r2// ) ii sp3 9p s ii s2p2 3d 0.00000( //r2// ) ii sp3 9p s ii s2p2 4d 0.00000( //r2// ) ii sp3 9p s ii s2p2 5d 0.00000( //r2// ) ii sp3 9p s ii s2p2 6d 0.00000( //r2// ) ii sp3 9p s ii s2p2 7d 0.00000( //r2// ) ii sp3 9p s ii s2p2 8d 0.00000( //r2// ) ii sp3 9p s ii s2p2 9d 0.00000( //r2// ) ii sp3 9p s ii s2p2 5g 0.00000( //r2// ) ii sp3 9p s ii s2p2 6g 0.00000( //r2// ) ii sp3 9p s ii s2p2 7g 0.00000( //r2// ) ii sp3 9p s ii s2p2 8g 0.00000( //r2// ) ii sp3 9p s ii s2p2 9g 0.00000( //r2// ) ii sp3 9p s ii s2p2 7i 0.00000( //r2// ) ii sp3 9p s ii s2p2 8i 0.00000( //r2// ) ii sp3 9p s ii s2p2 9i 0.00000( //r2// ) ii sp3 9p s ii sp4 0.29679( 9p//r2// 3p) ii sp3 9p s ii sp3 4p 1.76434( 9p//r2// 4p) ii sp3 9p s ii sp3 5p 6.67361( 9p//r2// 5p) ii sp3 9p s ii sp3 6p 23.24282( 9p//r2// 6p) ii sp3 9p s ii sp3 7p 92.91731( 9p//r2// 7p) ii sp3 9p s ii sp3 8p 661.01957( 9p//r2// 8p) ii sp3 9p s ii sp3 9p -2480.01932( 9p//r2// 9p) ii sp3 9p s ii sp3 4f 2.89391( 9p//r2// 4f) ii sp3 9p s ii sp3 5f 14.23811( 9p//r2// 5f) ii sp3 9p s ii sp3 6f 71.48629( 9p//r2// 6f) ii sp3 9p s ii sp3 7f 716.91615( 9p//r2// 7f) ii sp3 9p s ii sp3 8f -2977.82874( 9p//r2// 8f) ii sp3 9p s ii sp3 9f 1511.02030( 9p//r2// 9f) ii sp3 4f s ii s2p2 4s 0.00000( //r2// ) ii sp3 4f s ii s2p2 5s 0.00000( //r2// ) ii sp3 4f s ii s2p2 6s 0.00000( //r2// ) ii sp3 4f s ii s2p2 7s 0.00000( //r2// ) ii sp3 4f s ii s2p2 8s 0.00000( //r2// ) ii sp3 4f s ii s2p2 9s 0.00000( //r2// ) ii sp3 4f s ii s2p2 3d 0.00000( //r2// ) ii sp3 4f s ii s2p2 4d 0.00000( //r2// ) ii sp3 4f s ii s2p2 5d 0.00000( //r2// ) ii sp3 4f s ii s2p2 6d 0.00000( //r2// ) ii sp3 4f s ii s2p2 7d 0.00000( //r2// ) ii sp3 4f s ii s2p2 8d 0.00000( //r2// ) ii sp3 4f s ii s2p2 9d 0.00000( //r2// ) ii sp3 4f s ii s2p2 5g 0.00000( //r2// ) ii sp3 4f s ii s2p2 6g 0.00000( //r2// ) ii sp3 4f s ii s2p2 7g 0.00000( //r2// ) ii sp3 4f s ii s2p2 8g 0.00000( //r2// ) ii sp3 4f s ii s2p2 9g 0.00000( //r2// ) ii sp3 4f s ii s2p2 7i 0.00000( //r2// ) ii sp3 4f s ii s2p2 8i 0.00000( //r2// ) ii sp3 4f s ii s2p2 9i 0.00000( //r2// ) ii sp3 4f s ii sp4 -2.68781( 4f//r2// 3p) ii sp3 4f s ii sp3 4p 52.26944( 4f//r2// 4p) ii sp3 4f s ii sp3 5p -122.44686( 4f//r2// 5p) ii sp3 4f s ii sp3 6p 50.04325( 4f//r2// 6p) ii sp3 4f s ii sp3 7p 10.22394( 4f//r2// 7p) ii sp3 4f s ii sp3 8p 4.74127( 4f//r2// 8p) ii sp3 4f s ii sp3 9p 2.89391( 4f//r2// 9p) ii sp3 4f s ii sp3 4f -119.15472( 4f//r2// 4f) ii sp3 4f s ii sp3 5f 80.63243( 4f//r2// 5f) ii sp3 4f s ii sp3 6f 18.38895( 4f//r2// 6f) ii sp3 4f s ii sp3 7f 8.24392( 4f//r2// 7f) ii sp3 4f s ii sp3 8f 4.82672( 4f//r2// 8f) ii sp3 4f s ii sp3 9f 3.24982( 4f//r2// 9f) ii sp3 5f s ii s2p2 4s 0.00000( //r2// ) ii sp3 5f s ii s2p2 5s 0.00000( //r2// ) ii sp3 5f s ii s2p2 6s 0.00000( //r2// ) ii sp3 5f s ii s2p2 7s 0.00000( //r2// ) ii sp3 5f s ii s2p2 8s 0.00000( //r2// ) ii sp3 5f s ii s2p2 9s 0.00000( //r2// ) ii sp3 5f s ii s2p2 3d 0.00000( //r2// ) ii sp3 5f s ii s2p2 4d 0.00000( //r2// ) ii sp3 5f s ii s2p2 5d 0.00000( //r2// ) ii sp3 5f s ii s2p2 6d 0.00000( //r2// ) ii sp3 5f s ii s2p2 7d 0.00000( //r2// ) ii sp3 5f s ii s2p2 8d 0.00000( //r2// ) ii sp3 5f s ii s2p2 9d 0.00000( //r2// ) ii sp3 5f s ii s2p2 5g 0.00000( //r2// ) ii sp3 5f s ii s2p2 6g 0.00000( //r2// ) ii sp3 5f s ii s2p2 7g 0.00000( //r2// ) ii sp3 5f s ii s2p2 8g 0.00000( //r2// ) ii sp3 5f s ii s2p2 9g 0.00000( //r2// ) ii sp3 5f s ii s2p2 7i 0.00000( //r2// ) ii sp3 5f s ii s2p2 8i 0.00000( //r2// ) ii sp3 5f s ii s2p2 9i 0.00000( //r2// ) ii sp3 5f s ii sp4 -2.06071( 5f//r2// 3p) ii sp3 5f s ii sp3 4p 9.88460( 5f//r2// 4p) ii sp3 5f s ii sp3 5p 139.77176( 5f//r2// 5p) ii sp3 5f s ii sp3 6p -375.29418( 5f//r2// 6p) ii sp3 5f s ii sp3 7p 156.60811( 5f//r2// 7p) ii sp3 5f s ii sp3 8p 31.38228( 5f//r2// 8p) ii sp3 5f s ii sp3 9p 14.23811( 5f//r2// 9p) ii sp3 5f s ii sp3 4f 80.63243( 5f//r2// 4f) ii sp3 5f s ii sp3 5f -370.05677( 5f//r2// 5f) ii sp3 5f s ii sp3 6f 215.95307( 5f//r2// 6f) ii sp3 5f s ii sp3 7f 50.68104( 5f//r2// 7f) ii sp3 5f s ii sp3 8f 22.97299( 5f//r2// 8f) ii sp3 5f s ii sp3 9f 13.52511( 5f//r2// 9f) ii sp3 6f s ii s2p2 4s 0.00000( //r2// ) ii sp3 6f s ii s2p2 5s 0.00000( //r2// ) ii sp3 6f s ii s2p2 6s 0.00000( //r2// ) ii sp3 6f s ii s2p2 7s 0.00000( //r2// ) ii sp3 6f s ii s2p2 8s 0.00000( //r2// ) ii sp3 6f s ii s2p2 9s 0.00000( //r2// ) ii sp3 6f s ii s2p2 3d 0.00000( //r2// ) ii sp3 6f s ii s2p2 4d 0.00000( //r2// ) ii sp3 6f s ii s2p2 5d 0.00000( //r2// ) ii sp3 6f s ii s2p2 6d 0.00000( //r2// ) ii sp3 6f s ii s2p2 7d 0.00000( //r2// ) ii sp3 6f s ii s2p2 8d 0.00000( //r2// ) ii sp3 6f s ii s2p2 9d 0.00000( //r2// ) ii sp3 6f s ii s2p2 5g 0.00000( //r2// ) ii sp3 6f s ii s2p2 6g 0.00000( //r2// ) ii sp3 6f s ii s2p2 7g 0.00000( //r2// ) ii sp3 6f s ii s2p2 8g 0.00000( //r2// ) ii sp3 6f s ii s2p2 9g 0.00000( //r2// ) ii sp3 6f s ii s2p2 7i 0.00000( //r2// ) ii sp3 6f s ii s2p2 8i 0.00000( //r2// ) ii sp3 6f s ii s2p2 9i 0.00000( //r2// ) ii sp3 6f s ii sp4 -1.58862( 6f//r2// 3p) ii sp3 6f s ii sp3 4p 3.00246( 6f//r2// 4p) ii sp3 6f s ii sp3 5p 35.91866( 6f//r2// 5p) ii sp3 6f s ii sp3 6p 296.78019( 6f//r2// 6p) ii sp3 6f s ii sp3 7p -860.21439( 6f//r2// 7p) ii sp3 6f s ii sp3 8p 363.03965( 6f//r2// 8p) ii sp3 6f s ii sp3 9p 71.48629( 6f//r2// 9p) ii sp3 6f s ii sp3 4f 18.38895( 6f//r2// 4f) ii sp3 6f s ii sp3 5f 215.95307( 6f//r2// 5f) ii sp3 6f s ii sp3 6f -858.48834( 6f//r2// 6f) ii sp3 6f s ii sp3 7f 454.23961( 6f//r2// 7f) ii sp3 6f s ii sp3 8f 107.07819( 6f//r2// 8f) ii sp3 6f s ii sp3 9f 48.51396( 6f//r2// 9f) ii sp3 7f s ii s2p2 4s 0.00000( //r2// ) ii sp3 7f s ii s2p2 5s 0.00000( //r2// ) ii sp3 7f s ii s2p2 6s 0.00000( //r2// ) ii sp3 7f s ii s2p2 7s 0.00000( //r2// ) ii sp3 7f s ii s2p2 8s 0.00000( //r2// ) ii sp3 7f s ii s2p2 9s 0.00000( //r2// ) ii sp3 7f s ii s2p2 3d 0.00000( //r2// ) ii sp3 7f s ii s2p2 4d 0.00000( //r2// ) ii sp3 7f s ii s2p2 5d 0.00000( //r2// ) ii sp3 7f s ii s2p2 6d 0.00000( //r2// ) ii sp3 7f s ii s2p2 7d 0.00000( //r2// ) ii sp3 7f s ii s2p2 8d 0.00000( //r2// ) ii sp3 7f s ii s2p2 9d 0.00000( //r2// ) ii sp3 7f s ii s2p2 5g 0.00000( //r2// ) ii sp3 7f s ii s2p2 6g 0.00000( //r2// ) ii sp3 7f s ii s2p2 7g 0.00000( //r2// ) ii sp3 7f s ii s2p2 8g 0.00000( //r2// ) ii sp3 7f s ii s2p2 9g 0.00000( //r2// ) ii sp3 7f s ii s2p2 7i 0.00000( //r2// ) ii sp3 7f s ii s2p2 8i 0.00000( //r2// ) ii sp3 7f s ii s2p2 9i 0.00000( //r2// ) ii sp3 7f s ii sp4 -1.26249( 7f//r2// 3p) ii sp3 7f s ii sp3 4p 1.01236( 7f//r2// 4p) ii sp3 7f s ii sp3 5p 15.19993( 7f//r2// 5p) ii sp3 7f s ii sp3 6p 82.56353( 7f//r2// 6p) ii sp3 7f s ii sp3 7p 553.43979( 7f//r2// 7p) ii sp3 7f s ii sp3 8p -1685.22245( 7f//r2// 8p) ii sp3 7f s ii sp3 9p 716.91615( 7f//r2// 9p) ii sp3 7f s ii sp3 4f 8.24392( 7f//r2// 4f) ii sp3 7f s ii sp3 5f 50.68104( 7f//r2// 5f) ii sp3 7f s ii sp3 6f 454.23961( 7f//r2// 6f) ii sp3 7f s ii sp3 7f -1694.96624( 7f//r2// 7f) ii sp3 7f s ii sp3 8f 838.54110( 7f//r2// 8f) ii sp3 7f s ii sp3 9f 196.87630( 7f//r2// 9f) ii sp3 8f s ii s2p2 4s 0.00000( //r2// ) ii sp3 8f s ii s2p2 5s 0.00000( //r2// ) ii sp3 8f s ii s2p2 6s 0.00000( //r2// ) ii sp3 8f s ii s2p2 7s 0.00000( //r2// ) ii sp3 8f s ii s2p2 8s 0.00000( //r2// ) ii sp3 8f s ii s2p2 9s 0.00000( //r2// ) ii sp3 8f s ii s2p2 3d 0.00000( //r2// ) ii sp3 8f s ii s2p2 4d 0.00000( //r2// ) ii sp3 8f s ii s2p2 5d 0.00000( //r2// ) ii sp3 8f s ii s2p2 6d 0.00000( //r2// ) ii sp3 8f s ii s2p2 7d 0.00000( //r2// ) ii sp3 8f s ii s2p2 8d 0.00000( //r2// ) ii sp3 8f s ii s2p2 9d 0.00000( //r2// ) ii sp3 8f s ii s2p2 5g 0.00000( //r2// ) ii sp3 8f s ii s2p2 6g 0.00000( //r2// ) ii sp3 8f s ii s2p2 7g 0.00000( //r2// ) ii sp3 8f s ii s2p2 8g 0.00000( //r2// ) ii sp3 8f s ii s2p2 9g 0.00000( //r2// ) ii sp3 8f s ii s2p2 7i 0.00000( //r2// ) ii sp3 8f s ii s2p2 8i 0.00000( //r2// ) ii sp3 8f s ii s2p2 9i 0.00000( //r2// ) ii sp3 8f s ii sp4 -1.03148( 8f//r2// 3p) ii sp3 8f s ii sp3 4p 0.26723( 8f//r2// 4p) ii sp3 8f s ii sp3 5p 8.12034( 8f//r2// 5p) ii sp3 8f s ii sp3 6p 37.61812( 8f//r2// 6p) ii sp3 8f s ii sp3 7p 157.74555( 8f//r2// 7p) ii sp3 8f s ii sp3 8p 944.81521( 8f//r2// 8p) ii sp3 8f s ii sp3 9p -2977.82874( 8f//r2// 9p) ii sp3 8f s ii sp3 4f 4.82672( 8f//r2// 4f) ii sp3 8f s ii sp3 5f 22.97299( 8f//r2// 5f) ii sp3 8f s ii sp3 6f 107.07819( 8f//r2// 6f) ii sp3 8f s ii sp3 7f 838.54110( 8f//r2// 7f) ii sp3 8f s ii sp3 8f -3010.42898( 8f//r2// 8f) ii sp3 8f s ii sp3 9f 1418.72858( 8f//r2// 9f) ii sp3 9f s ii s2p2 4s 0.00000( //r2// ) ii sp3 9f s ii s2p2 5s 0.00000( //r2// ) ii sp3 9f s ii s2p2 6s 0.00000( //r2// ) ii sp3 9f s ii s2p2 7s 0.00000( //r2// ) ii sp3 9f s ii s2p2 8s 0.00000( //r2// ) ii sp3 9f s ii s2p2 9s 0.00000( //r2// ) ii sp3 9f s ii s2p2 3d 0.00000( //r2// ) ii sp3 9f s ii s2p2 4d 0.00000( //r2// ) ii sp3 9f s ii s2p2 5d 0.00000( //r2// ) ii sp3 9f s ii s2p2 6d 0.00000( //r2// ) ii sp3 9f s ii s2p2 7d 0.00000( //r2// ) ii sp3 9f s ii s2p2 8d 0.00000( //r2// ) ii sp3 9f s ii s2p2 9d 0.00000( //r2// ) ii sp3 9f s ii s2p2 5g 0.00000( //r2// ) ii sp3 9f s ii s2p2 6g 0.00000( //r2// ) ii sp3 9f s ii s2p2 7g 0.00000( //r2// ) ii sp3 9f s ii s2p2 8g 0.00000( //r2// ) ii sp3 9f s ii s2p2 9g 0.00000( //r2// ) ii sp3 9f s ii s2p2 7i 0.00000( //r2// ) ii sp3 9f s ii s2p2 8i 0.00000( //r2// ) ii sp3 9f s ii s2p2 9i 0.00000( //r2// ) ii sp3 9f s ii sp4 -0.86215( 9f//r2// 3p) ii sp3 9f s ii sp3 4p -0.05158( 9f//r2// 4p) ii sp3 9f s ii sp3 5p 4.96348( 9f//r2// 5p) ii sp3 9f s ii sp3 6p 21.51401( 9f//r2// 6p) ii sp3 9f s ii sp3 7p 73.75386( 9f//r2// 7p) ii sp3 9f s ii sp3 8p 270.70935( 9f//r2// 8p) ii sp3 9f s ii sp3 9p 1511.02030( 9f//r2// 9p) ii sp3 9f s ii sp3 4f 3.24982( 9f//r2// 4f) ii sp3 9f s ii sp3 5f 13.52511( 9f//r2// 5f) ii sp3 9f s ii sp3 6f 48.51396( 9f//r2// 6f) ii sp3 9f s ii sp3 7f 196.87630( 9f//r2// 7f) ii sp3 9f s ii sp3 8f 1418.72858( 9f//r2// 8f) ii sp3 9f s ii sp3 9f -4956.28412( 9f//r2// 9f) ii s2p3 s ii s2p2 4s 0.95591( 3p//r1// 4s) ii s2p3 s ii s2p2 5s 0.32047( 3p//r1// 5s) ii s2p3 s ii s2p2 6s 0.18009( 3p//r1// 6s) ii s2p3 s ii s2p2 7s 0.12120( 3p//r1// 7s) ii s2p3 s ii s2p2 8s 0.08940( 3p//r1// 8s) ii s2p3 s ii s2p2 9s 0.06972( 3p//r1// 9s) ii s2p3 s ii s2p2 3d 2.80098( 3p//r1// 3d) ii s2p3 s ii s2p2 4d 0.50756( 3p//r1// 4d) ii s2p3 s ii s2p2 5d 0.21182( 3p//r1// 5d) ii s2p3 s ii s2p2 6d 0.12037( 3p//r1// 6d) ii s2p3 s ii s2p2 7d 0.07993( 3p//r1// 7d) ii s2p3 s ii s2p2 8d 0.05818( 3p//r1// 8d) ii s2p3 s ii s2p2 9d 0.04495( 3p//r1// 9d) ii s2p3 s ii s2p2 5g 0.00000( //r1// ) ii s2p3 s ii s2p2 6g 0.00000( //r1// ) ii s2p3 s ii s2p2 7g 0.00000( //r1// ) ii s2p3 s ii s2p2 8g 0.00000( //r1// ) ii s2p3 s ii s2p2 9g 0.00000( //r1// ) ii s2p3 s ii s2p2 7i 0.00000( //r1// ) ii s2p3 s ii s2p2 8i 0.00000( //r1// ) ii s2p3 s ii s2p2 9i 0.00000( //r1// ) ii s2p3 s ii sp4 1.72329( 3s//r1// 3p) ii s2p3 s ii sp3 4p -0.11885( 3s//r1// 4p) ii s2p3 s ii sp3 5p -0.07619( 3s//r1// 5p) ii s2p3 s ii sp3 6p -0.05292( 3s//r1// 6p) ii s2p3 s ii sp3 7p -0.03937( 3s//r1// 7p) ii s2p3 s ii sp3 8p -0.03074( 3s//r1// 8p) ii s2p3 s ii sp3 9p -0.02486( 3s//r1// 9p) ii s2p3 s ii sp3 4f 0.00000( //r1// ) ii s2p3 s ii sp3 5f 0.00000( //r1// ) ii s2p3 s ii sp3 6f 0.00000( //r1// ) ii s2p3 s ii sp3 7f 0.00000( //r1// ) ii s2p3 s ii sp3 8f 0.00000( //r1// ) ii s2p3 s ii sp3 9f 0.00000( //r1// ) ii s2p2 4p s ii s2p2 4s -4.68596( 4p//r1// 4s) ii s2p2 4p s ii s2p2 5s 3.21411( 4p//r1// 5s) ii s2p2 4p s ii s2p2 6s 0.84945( 4p//r1// 6s) ii s2p2 4p s ii s2p2 7s 0.45421( 4p//r1// 7s) ii s2p2 4p s ii s2p2 8s 0.30115( 4p//r1// 8s) ii s2p2 4p s ii s2p2 9s 0.22140( 4p//r1// 9s) ii s2p2 4p s ii s2p2 3d -3.90235( 4p//r1// 3d) ii s2p2 4p s ii s2p2 4d 6.99805( 4p//r1// 4d) ii s2p2 4p s ii s2p2 5d 1.60603( 4p//r1// 5d) ii s2p2 4p s ii s2p2 6d 0.76650( 4p//r1// 6d) ii s2p2 4p s ii s2p2 7d 0.47135( 4p//r1// 7d) ii s2p2 4p s ii s2p2 8d 0.32887( 4p//r1// 8d) ii s2p2 4p s ii s2p2 9d 0.24724( 4p//r1// 9d) ii s2p2 4p s ii s2p2 5g 0.00000( //r1// ) ii s2p2 4p s ii s2p2 6g 0.00000( //r1// ) ii s2p2 4p s ii s2p2 7g 0.00000( //r1// ) ii s2p2 4p s ii s2p2 8g 0.00000( //r1// ) ii s2p2 4p s ii s2p2 9g 0.00000( //r1// ) ii s2p2 4p s ii s2p2 7i 0.00000( //r1// ) ii s2p2 4p s ii s2p2 8i 0.00000( //r1// ) ii s2p2 4p s ii s2p2 9i 0.00000( //r1// ) ii s2p2 4p s ii sp4 0.00000( //r1// ) ii s2p2 4p s ii sp3 4p 0.00000( //r1// ) ii s2p2 4p s ii sp3 5p 0.00000( //r1// ) ii s2p2 4p s ii sp3 6p 0.00000( //r1// ) ii s2p2 4p s ii sp3 7p 0.00000( //r1// ) ii s2p2 4p s ii sp3 8p 0.00000( //r1// ) ii s2p2 4p s ii sp3 9p 0.00000( //r1// ) ii s2p2 4p s ii sp3 4f 0.00000( //r1// ) ii s2p2 4p s ii sp3 5f 0.00000( //r1// ) ii s2p2 4p s ii sp3 6f 0.00000( //r1// ) ii s2p2 4p s ii sp3 7f 0.00000( //r1// ) ii s2p2 4p s ii sp3 8f 0.00000( //r1// ) ii s2p2 4p s ii sp3 9f 0.00000( //r1// ) ii s2p2 5p s ii s2p2 4s 0.01284( 5p//r1// 4s) ii s2p2 5p s ii s2p2 5s -8.90076( 5p//r1// 5s) ii s2p2 5p s ii s2p2 6s 6.24752( 5p//r1// 6s) ii s2p2 5p s ii s2p2 7s 1.53812( 5p//r1// 7s) ii s2p2 5p s ii s2p2 8s 0.80002( 5p//r1// 8s) ii s2p2 5p s ii s2p2 9s 0.52344( 5p//r1// 9s) ii s2p2 5p s ii s2p2 3d -0.27950( 5p//r1// 3d) ii s2p2 5p s ii s2p2 4d -9.69906( 5p//r1// 4d) ii s2p2 5p s ii s2p2 5d 11.77931( 5p//r1// 5d) ii s2p2 5p s ii s2p2 6d 2.85538( 5p//r1// 6d) ii s2p2 5p s ii s2p2 7d 1.40347( 5p//r1// 7d) ii s2p2 5p s ii s2p2 8d 0.87911( 5p//r1// 8d) ii s2p2 5p s ii s2p2 9d 0.62164( 5p//r1// 9d) ii s2p2 5p s ii s2p2 5g 0.00000( //r1// ) ii s2p2 5p s ii s2p2 6g 0.00000( //r1// ) ii s2p2 5p s ii s2p2 7g 0.00000( //r1// ) ii s2p2 5p s ii s2p2 8g 0.00000( //r1// ) ii s2p2 5p s ii s2p2 9g 0.00000( //r1// ) ii s2p2 5p s ii s2p2 7i 0.00000( //r1// ) ii s2p2 5p s ii s2p2 8i 0.00000( //r1// ) ii s2p2 5p s ii s2p2 9i 0.00000( //r1// ) ii s2p2 5p s ii sp4 0.00000( //r1// ) ii s2p2 5p s ii sp3 4p 0.00000( //r1// ) ii s2p2 5p s ii sp3 5p 0.00000( //r1// ) ii s2p2 5p s ii sp3 6p 0.00000( //r1// ) ii s2p2 5p s ii sp3 7p 0.00000( //r1// ) ii s2p2 5p s ii sp3 8p 0.00000( //r1// ) ii s2p2 5p s ii sp3 9p 0.00000( //r1// ) ii s2p2 5p s ii sp3 4f 0.00000( //r1// ) ii s2p2 5p s ii sp3 5f 0.00000( //r1// ) ii s2p2 5p s ii sp3 6f 0.00000( //r1// ) ii s2p2 5p s ii sp3 7f 0.00000( //r1// ) ii s2p2 5p s ii sp3 8f 0.00000( //r1// ) ii s2p2 5p s ii sp3 9f 0.00000( //r1// ) ii s2p2 6p s ii s2p2 4s 0.07903( 6p//r1// 4s) ii s2p2 6p s ii s2p2 5s -0.15633( 6p//r1// 5s) ii s2p2 6p s ii s2p2 6s -14.39753( 6p//r1// 6s) ii s2p2 6p s ii s2p2 7s 10.12317( 6p//r1// 7s) ii s2p2 6p s ii s2p2 8s 2.40160( 6p//r1// 8s) ii s2p2 6p s ii s2p2 9s 1.22600( 6p//r1// 9s) ii s2p2 6p s ii s2p2 3d -0.13499( 6p//r1// 3d) ii s2p2 6p s ii s2p2 4d -0.53063( 6p//r1// 4d) ii s2p2 6p s ii s2p2 5d -17.37822( 6p//r1// 5d) ii s2p2 6p s ii s2p2 6d 17.54974( 6p//r1// 6d) ii s2p2 6p s ii s2p2 7d 4.33991( 6p//r1// 7d) ii s2p2 6p s ii s2p2 8d 2.15549( 6p//r1// 8d) ii s2p2 6p s ii s2p2 9d 1.35901( 6p//r1// 9d) ii s2p2 6p s ii s2p2 5g 0.00000( //r1// ) ii s2p2 6p s ii s2p2 6g 0.00000( //r1// ) ii s2p2 6p s ii s2p2 7g 0.00000( //r1// ) ii s2p2 6p s ii s2p2 8g 0.00000( //r1// ) ii s2p2 6p s ii s2p2 9g 0.00000( //r1// ) ii s2p2 6p s ii s2p2 7i 0.00000( //r1// ) ii s2p2 6p s ii s2p2 8i 0.00000( //r1// ) ii s2p2 6p s ii s2p2 9i 0.00000( //r1// ) ii s2p2 6p s ii sp4 0.00000( //r1// ) ii s2p2 6p s ii sp3 4p 0.00000( //r1// ) ii s2p2 6p s ii sp3 5p 0.00000( //r1// ) ii s2p2 6p s ii sp3 6p 0.00000( //r1// ) ii s2p2 6p s ii sp3 7p 0.00000( //r1// ) ii s2p2 6p s ii sp3 8p 0.00000( //r1// ) ii s2p2 6p s ii sp3 9p 0.00000( //r1// ) ii s2p2 6p s ii sp3 4f 0.00000( //r1// ) ii s2p2 6p s ii sp3 5f 0.00000( //r1// ) ii s2p2 6p s ii sp3 6f 0.00000( //r1// ) ii s2p2 6p s ii sp3 7f 0.00000( //r1// ) ii s2p2 6p s ii sp3 8f 0.00000( //r1// ) ii s2p2 6p s ii sp3 9f 0.00000( //r1// ) ii s2p2 7p s ii s2p2 4s 0.07225( 7p//r1// 4s) ii s2p2 7p s ii s2p2 5s 0.04798( 7p//r1// 5s) ii s2p2 7p s ii s2p2 6s -0.39420( 7p//r1// 6s) ii s2p2 7p s ii s2p2 7s -21.18688( 7p//r1// 7s) ii s2p2 7p s ii s2p2 8s 14.86724( 7p//r1// 8s) ii s2p2 7p s ii s2p2 9s 3.44198( 7p//r1// 9s) ii s2p2 7p s ii s2p2 3d -0.08477( 7p//r1// 3d) ii s2p2 7p s ii s2p2 4d -0.23709( 7p//r1// 4d) ii s2p2 7p s ii s2p2 5d -0.79400( 7p//r1// 5d) ii s2p2 7p s ii s2p2 6d -26.98294( 7p//r1// 6d) ii s2p2 7p s ii s2p2 7d 24.36249( 7p//r1// 7d) ii s2p2 7p s ii s2p2 8d 6.06614( 7p//r1// 8d) ii s2p2 7p s ii s2p2 9d 3.02192( 7p//r1// 9d) ii s2p2 7p s ii s2p2 5g 0.00000( //r1// ) ii s2p2 7p s ii s2p2 6g 0.00000( //r1// ) ii s2p2 7p s ii s2p2 7g 0.00000( //r1// ) ii s2p2 7p s ii s2p2 8g 0.00000( //r1// ) ii s2p2 7p s ii s2p2 9g 0.00000( //r1// ) ii s2p2 7p s ii s2p2 7i 0.00000( //r1// ) ii s2p2 7p s ii s2p2 8i 0.00000( //r1// ) ii s2p2 7p s ii s2p2 9i 0.00000( //r1// ) ii s2p2 7p s ii sp4 0.00000( //r1// ) ii s2p2 7p s ii sp3 4p 0.00000( //r1// ) ii s2p2 7p s ii sp3 5p 0.00000( //r1// ) ii s2p2 7p s ii sp3 6p 0.00000( //r1// ) ii s2p2 7p s ii sp3 7p 0.00000( //r1// ) ii s2p2 7p s ii sp3 8p 0.00000( //r1// ) ii s2p2 7p s ii sp3 9p 0.00000( //r1// ) ii s2p2 7p s ii sp3 4f 0.00000( //r1// ) ii s2p2 7p s ii sp3 5f 0.00000( //r1// ) ii s2p2 7p s ii sp3 6f 0.00000( //r1// ) ii s2p2 7p s ii sp3 7f 0.00000( //r1// ) ii s2p2 7p s ii sp3 8f 0.00000( //r1// ) ii s2p2 7p s ii sp3 9f 0.00000( //r1// ) ii s2p2 8p s ii s2p2 4s 0.06124( 8p//r1// 4s) ii s2p2 8p s ii s2p2 5s 0.06693( 8p//r1// 5s) ii s2p2 8p s ii s2p2 6s -0.00729( 8p//r1// 6s) ii s2p2 8p s ii s2p2 7s -0.69548( 8p//r1// 7s) ii s2p2 8p s ii s2p2 8s -29.26877( 8p//r1// 8s) ii s2p2 8p s ii s2p2 9s 20.48857( 8p//r1// 9s) ii s2p2 8p s ii s2p2 3d -0.05975( 8p//r1// 3d) ii s2p2 8p s ii s2p2 4d -0.14783( 8p//r1// 4d) ii s2p2 8p s ii s2p2 5d -0.33355( 8p//r1// 5d) ii s2p2 8p s ii s2p2 6d -1.06419( 8p//r1// 6d) ii s2p2 8p s ii s2p2 7d -38.51856( 8p//r1// 7d) ii s2p2 8p s ii s2p2 8d 32.23388( 8p//r1// 8d) ii s2p2 8p s ii s2p2 9d 8.03770( 8p//r1// 9d) ii s2p2 8p s ii s2p2 5g 0.00000( //r1// ) ii s2p2 8p s ii s2p2 6g 0.00000( //r1// ) ii s2p2 8p s ii s2p2 7g 0.00000( //r1// ) ii s2p2 8p s ii s2p2 8g 0.00000( //r1// ) ii s2p2 8p s ii s2p2 9g 0.00000( //r1// ) ii s2p2 8p s ii s2p2 7i 0.00000( //r1// ) ii s2p2 8p s ii s2p2 8i 0.00000( //r1// ) ii s2p2 8p s ii s2p2 9i 0.00000( //r1// ) ii s2p2 8p s ii sp4 0.00000( //r1// ) ii s2p2 8p s ii sp3 4p 0.00000( //r1// ) ii s2p2 8p s ii sp3 5p 0.00000( //r1// ) ii s2p2 8p s ii sp3 6p 0.00000( //r1// ) ii s2p2 8p s ii sp3 7p 0.00000( //r1// ) ii s2p2 8p s ii sp3 8p 0.00000( //r1// ) ii s2p2 8p s ii sp3 9p 0.00000( //r1// ) ii s2p2 8p s ii sp3 4f 0.00000( //r1// ) ii s2p2 8p s ii sp3 5f 0.00000( //r1// ) ii s2p2 8p s ii sp3 6f 0.00000( //r1// ) ii s2p2 8p s ii sp3 7f 0.00000( //r1// ) ii s2p2 8p s ii sp3 8f 0.00000( //r1// ) ii s2p2 8p s ii sp3 9f 0.00000( //r1// ) ii s2p2 9p s ii s2p2 4s 0.05188( 9p//r1// 4s) ii s2p2 9p s ii s2p2 5s 0.06351( 9p//r1// 5s) ii s2p2 9p s ii s2p2 6s 0.04880( 9p//r1// 6s) ii s2p2 9p s ii s2p2 7s -0.08303( 9p//r1// 7s) ii s2p2 9p s ii s2p2 8s -1.06129( 9p//r1// 8s) ii s2p2 9p s ii s2p2 9s -38.64308( 9p//r1// 9s) ii s2p2 9p s ii s2p2 3d -0.04505( 9p//r1// 3d) ii s2p2 9p s ii s2p2 4d -0.10524( 9p//r1// 4d) ii s2p2 9p s ii s2p2 5d -0.20371( 9p//r1// 5d) ii s2p2 9p s ii s2p2 6d -0.42291( 9p//r1// 6d) ii s2p2 9p s ii s2p2 7d -1.33971( 9p//r1// 7d) ii s2p2 9p s ii s2p2 8d -51.98858( 9p//r1// 8d) ii s2p2 9p s ii s2p2 9d 41.16902( 9p//r1// 9d) ii s2p2 9p s ii s2p2 5g 0.00000( //r1// ) ii s2p2 9p s ii s2p2 6g 0.00000( //r1// ) ii s2p2 9p s ii s2p2 7g 0.00000( //r1// ) ii s2p2 9p s ii s2p2 8g 0.00000( //r1// ) ii s2p2 9p s ii s2p2 9g 0.00000( //r1// ) ii s2p2 9p s ii s2p2 7i 0.00000( //r1// ) ii s2p2 9p s ii s2p2 8i 0.00000( //r1// ) ii s2p2 9p s ii s2p2 9i 0.00000( //r1// ) ii s2p2 9p s ii sp4 0.00000( //r1// ) ii s2p2 9p s ii sp3 4p 0.00000( //r1// ) ii s2p2 9p s ii sp3 5p 0.00000( //r1// ) ii s2p2 9p s ii sp3 6p 0.00000( //r1// ) ii s2p2 9p s ii sp3 7p 0.00000( //r1// ) ii s2p2 9p s ii sp3 8p 0.00000( //r1// ) ii s2p2 9p s ii sp3 9p 0.00000( //r1// ) ii s2p2 9p s ii sp3 4f 0.00000( //r1// ) ii s2p2 9p s ii sp3 5f 0.00000( //r1// ) ii s2p2 9p s ii sp3 6f 0.00000( //r1// ) ii s2p2 9p s ii sp3 7f 0.00000( //r1// ) ii s2p2 9p s ii sp3 8f 0.00000( //r1// ) ii s2p2 9p s ii sp3 9f 0.00000( //r1// ) ii s2p2 4f s ii s2p2 4s 0.00000( //r1// ) ii s2p2 4f s ii s2p2 5s 0.00000( //r1// ) ii s2p2 4f s ii s2p2 6s 0.00000( //r1// ) ii s2p2 4f s ii s2p2 7s 0.00000( //r1// ) ii s2p2 4f s ii s2p2 8s 0.00000( //r1// ) ii s2p2 4f s ii s2p2 9s 0.00000( //r1// ) ii s2p2 4f s ii s2p2 3d 3.86083( 4f//r1// 3d) ii s2p2 4f s ii s2p2 4d -13.95321( 4f//r1// 4d) ii s2p2 4f s ii s2p2 5d 7.29264( 4f//r1// 5d) ii s2p2 4f s ii s2p2 6d 1.39169( 4f//r1// 6d) ii s2p2 4f s ii s2p2 7d 0.66533( 4f//r1// 7d) ii s2p2 4f s ii s2p2 8d 0.41598( 4f//r1// 8d) ii s2p2 4f s ii s2p2 9d 0.29539( 4f//r1// 9d) ii s2p2 4f s ii s2p2 5g -17.37804( 4f//r1// 5g) ii s2p2 4f s ii s2p2 6g -5.30010( 4f//r1// 6g) ii s2p2 4f s ii s2p2 7g -2.75805( 4f//r1// 7g) ii s2p2 4f s ii s2p2 8g -1.77462( 4f//r1// 8g) ii s2p2 4f s ii s2p2 9g -1.27609( 4f//r1// 9g) ii s2p2 4f s ii s2p2 7i 0.00000( //r1// ) ii s2p2 4f s ii s2p2 8i 0.00000( //r1// ) ii s2p2 4f s ii s2p2 9i 0.00000( //r1// ) ii s2p2 4f s ii sp4 0.00000( //r1// ) ii s2p2 4f s ii sp3 4p 0.00000( //r1// ) ii s2p2 4f s ii sp3 5p 0.00000( //r1// ) ii s2p2 4f s ii sp3 6p 0.00000( //r1// ) ii s2p2 4f s ii sp3 7p 0.00000( //r1// ) ii s2p2 4f s ii sp3 8p 0.00000( //r1// ) ii s2p2 4f s ii sp3 9p 0.00000( //r1// ) ii s2p2 4f s ii sp3 4f 0.00000( //r1// ) ii s2p2 4f s ii sp3 5f 0.00000( //r1// ) ii s2p2 4f s ii sp3 6f 0.00000( //r1// ) ii s2p2 4f s ii sp3 7f 0.00000( //r1// ) ii s2p2 4f s ii sp3 8f 0.00000( //r1// ) ii s2p2 4f s ii sp3 9f 0.00000( //r1// ) ii s2p2 5f s ii s2p2 4s 0.00000( //r1// ) ii s2p2 5f s ii s2p2 5s 0.00000( //r1// ) ii s2p2 5f s ii s2p2 6s 0.00000( //r1// ) ii s2p2 5f s ii s2p2 7s 0.00000( //r1// ) ii s2p2 5f s ii s2p2 8s 0.00000( //r1// ) ii s2p2 5f s ii s2p2 9s 0.00000( //r1// ) ii s2p2 5f s ii s2p2 3d 2.14784( 5f//r1// 3d) ii s2p2 5f s ii s2p2 4d 2.25757( 5f//r1// 4d) ii s2p2 5f s ii s2p2 5d -24.41065( 5f//r1// 5d) ii s2p2 5f s ii s2p2 6d 14.22372( 5f//r1// 6d) ii s2p2 5f s ii s2p2 7d 2.78173( 5f//r1// 7d) ii s2p2 5f s ii s2p2 8d 1.33350( 5f//r1// 8d) ii s2p2 5f s ii s2p2 9d 0.83354( 5f//r1// 9d) ii s2p2 5f s ii s2p2 5g 22.77986( 5f//r1// 5g) ii s2p2 5f s ii s2p2 6g -21.36882( 5f//r1// 6g) ii s2p2 5f s ii s2p2 7g -7.77580( 5f//r1// 7g) ii s2p2 5f s ii s2p2 8g -4.32251( 5f//r1// 8g) ii s2p2 5f s ii s2p2 9g -2.87496( 5f//r1// 9g) ii s2p2 5f s ii s2p2 7i 0.00000( //r1// ) ii s2p2 5f s ii s2p2 8i 0.00000( //r1// ) ii s2p2 5f s ii s2p2 9i 0.00000( //r1// ) ii s2p2 5f s ii sp4 0.00000( //r1// ) ii s2p2 5f s ii sp3 4p 0.00000( //r1// ) ii s2p2 5f s ii sp3 5p 0.00000( //r1// ) ii s2p2 5f s ii sp3 6p 0.00000( //r1// ) ii s2p2 5f s ii sp3 7p 0.00000( //r1// ) ii s2p2 5f s ii sp3 8p 0.00000( //r1// ) ii s2p2 5f s ii sp3 9p 0.00000( //r1// ) ii s2p2 5f s ii sp3 4f 0.00000( //r1// ) ii s2p2 5f s ii sp3 5f 0.00000( //r1// ) ii s2p2 5f s ii sp3 6f 0.00000( //r1// ) ii s2p2 5f s ii sp3 7f 0.00000( //r1// ) ii s2p2 5f s ii sp3 8f 0.00000( //r1// ) ii s2p2 5f s ii sp3 9f 0.00000( //r1// ) ii s2p2 6f s ii s2p2 4s 0.00000( //r1// ) ii s2p2 6f s ii s2p2 5s 0.00000( //r1// ) ii s2p2 6f s ii s2p2 6s 0.00000( //r1// ) ii s2p2 6f s ii s2p2 7s 0.00000( //r1// ) ii s2p2 6f s ii s2p2 8s 0.00000( //r1// ) ii s2p2 6f s ii s2p2 9s 0.00000( //r1// ) ii s2p2 6f s ii s2p2 3d 1.43614( 6f//r1// 3d) ii s2p2 6f s ii s2p2 4d 1.73499( 6f//r1// 4d) ii s2p2 6f s ii s2p2 5d 1.39683( 6f//r1// 5d) ii s2p2 6f s ii s2p2 6d -36.75921( 6f//r1// 6d) ii s2p2 6f s ii s2p2 7d 22.57103( 6f//r1// 7d) ii s2p2 6f s ii s2p2 8d 4.46186( 6f//r1// 8d) ii s2p2 6f s ii s2p2 9d 2.13646( 6f//r1// 9d) ii s2p2 6f s ii s2p2 5g -2.62226( 6f//r1// 5g) ii s2p2 6f s ii s2p2 6g 40.78563( 6f//r1// 6g) ii s2p2 6f s ii s2p2 7g -25.68945( 6f//r1// 7g) ii s2p2 6f s ii s2p2 8g -9.99710( 6f//r1// 8g) ii s2p2 6f s ii s2p2 9g -5.73003( 6f//r1// 9g) ii s2p2 6f s ii s2p2 7i 0.00000( //r1// ) ii s2p2 6f s ii s2p2 8i 0.00000( //r1// ) ii s2p2 6f s ii s2p2 9i 0.00000( //r1// ) ii s2p2 6f s ii sp4 0.00000( //r1// ) ii s2p2 6f s ii sp3 4p 0.00000( //r1// ) ii s2p2 6f s ii sp3 5p 0.00000( //r1// ) ii s2p2 6f s ii sp3 6p 0.00000( //r1// ) ii s2p2 6f s ii sp3 7p 0.00000( //r1// ) ii s2p2 6f s ii sp3 8p 0.00000( //r1// ) ii s2p2 6f s ii sp3 9p 0.00000( //r1// ) ii s2p2 6f s ii sp3 4f 0.00000( //r1// ) ii s2p2 6f s ii sp3 5f 0.00000( //r1// ) ii s2p2 6f s ii sp3 6f 0.00000( //r1// ) ii s2p2 6f s ii sp3 7f 0.00000( //r1// ) ii s2p2 6f s ii sp3 8f 0.00000( //r1// ) ii s2p2 6f s ii sp3 9f 0.00000( //r1// ) ii s2p2 7f s ii s2p2 4s 0.00000( //r1// ) ii s2p2 7f s ii s2p2 5s 0.00000( //r1// ) ii s2p2 7f s ii s2p2 6s 0.00000( //r1// ) ii s2p2 7f s ii s2p2 7s 0.00000( //r1// ) ii s2p2 7f s ii s2p2 8s 0.00000( //r1// ) ii s2p2 7f s ii s2p2 9s 0.00000( //r1// ) ii s2p2 7f s ii s2p2 3d 1.05544( 7f//r1// 3d) ii s2p2 7f s ii s2p2 4d 1.29382( 7f//r1// 4d) ii s2p2 7f s ii s2p2 5d 1.52268( 7f//r1// 5d) ii s2p2 7f s ii s2p2 6d 0.57173( 7f//r1// 6d) ii s2p2 7f s ii s2p2 7d -51.21095( 7f//r1// 7d) ii s2p2 7f s ii s2p2 8d 32.44917( 7f//r1// 8d) ii s2p2 7f s ii s2p2 9d 6.44169( 7f//r1// 9d) ii s2p2 7f s ii s2p2 5g -0.84434( 7f//r1// 5g) ii s2p2 7f s ii s2p2 6g -5.68148( 7f//r1// 6g) ii s2p2 7f s ii s2p2 7g 61.09330( 7f//r1// 7g) ii s2p2 7f s ii s2p2 8g -30.37799( 7f//r1// 8g) ii s2p2 7f s ii s2p2 9g -12.20132( 7f//r1// 9g) ii s2p2 7f s ii s2p2 7i 0.00000( //r1// ) ii s2p2 7f s ii s2p2 8i 0.00000( //r1// ) ii s2p2 7f s ii s2p2 9i 0.00000( //r1// ) ii s2p2 7f s ii sp4 0.00000( //r1// ) ii s2p2 7f s ii sp3 4p 0.00000( //r1// ) ii s2p2 7f s ii sp3 5p 0.00000( //r1// ) ii s2p2 7f s ii sp3 6p 0.00000( //r1// ) ii s2p2 7f s ii sp3 7p 0.00000( //r1// ) ii s2p2 7f s ii sp3 8p 0.00000( //r1// ) ii s2p2 7f s ii sp3 9p 0.00000( //r1// ) ii s2p2 7f s ii sp3 4f 0.00000( //r1// ) ii s2p2 7f s ii sp3 5f 0.00000( //r1// ) ii s2p2 7f s ii sp3 6f 0.00000( //r1// ) ii s2p2 7f s ii sp3 7f 0.00000( //r1// ) ii s2p2 7f s ii sp3 8f 0.00000( //r1// ) ii s2p2 7f s ii sp3 9f 0.00000( //r1// ) ii s2p2 8f s ii s2p2 4s 0.00000( //r1// ) ii s2p2 8f s ii s2p2 5s 0.00000( //r1// ) ii s2p2 8f s ii s2p2 6s 0.00000( //r1// ) ii s2p2 8f s ii s2p2 7s 0.00000( //r1// ) ii s2p2 8f s ii s2p2 8s 0.00000( //r1// ) ii s2p2 8f s ii s2p2 9s 0.00000( //r1// ) ii s2p2 8f s ii s2p2 3d 0.82147( 8f//r1// 3d) ii s2p2 8f s ii s2p2 4d 1.00853( 8f//r1// 4d) ii s2p2 8f s ii s2p2 5d 1.23807( 8f//r1// 5d) ii s2p2 8f s ii s2p2 6d 1.30828( 8f//r1// 6d) ii s2p2 8f s ii s2p2 7d -0.33320( 8f//r1// 7d) ii s2p2 8f s ii s2p2 8d -67.81197( 8f//r1// 8d) ii s2p2 8f s ii s2p2 9d 43.89739( 8f//r1// 9d) ii s2p2 8f s ii s2p2 5g -0.44890( 8f//r1// 5g) ii s2p2 8f s ii s2p2 6g -1.83945( 8f//r1// 6g) ii s2p2 8f s ii s2p2 7g -9.64730( 8f//r1// 7g) ii s2p2 8f s ii s2p2 8g 84.12423( 8f//r1// 8g) ii s2p2 8f s ii s2p2 9g -35.45036( 8f//r1// 9g) ii s2p2 8f s ii s2p2 7i 0.00000( //r1// ) ii s2p2 8f s ii s2p2 8i 0.00000( //r1// ) ii s2p2 8f s ii s2p2 9i 0.00000( //r1// ) ii s2p2 8f s ii sp4 0.00000( //r1// ) ii s2p2 8f s ii sp3 4p 0.00000( //r1// ) ii s2p2 8f s ii sp3 5p 0.00000( //r1// ) ii s2p2 8f s ii sp3 6p 0.00000( //r1// ) ii s2p2 8f s ii sp3 7p 0.00000( //r1// ) ii s2p2 8f s ii sp3 8p 0.00000( //r1// ) ii s2p2 8f s ii sp3 9p 0.00000( //r1// ) ii s2p2 8f s ii sp3 4f 0.00000( //r1// ) ii s2p2 8f s ii sp3 5f 0.00000( //r1// ) ii s2p2 8f s ii sp3 6f 0.00000( //r1// ) ii s2p2 8f s ii sp3 7f 0.00000( //r1// ) ii s2p2 8f s ii sp3 8f 0.00000( //r1// ) ii s2p2 8f s ii sp3 9f 0.00000( //r1// ) ii s2p2 9f s ii s2p2 4s 0.00000( //r1// ) ii s2p2 9f s ii s2p2 5s 0.00000( //r1// ) ii s2p2 9f s ii s2p2 6s 0.00000( //r1// ) ii s2p2 9f s ii s2p2 7s 0.00000( //r1// ) ii s2p2 9f s ii s2p2 8s 0.00000( //r1// ) ii s2p2 9f s ii s2p2 9s 0.00000( //r1// ) ii s2p2 9f s ii s2p2 3d 0.66458( 9f//r1// 3d) ii s2p2 9f s ii s2p2 4d 0.81597( 9f//r1// 4d) ii s2p2 9f s ii s2p2 5d 1.00759( 9f//r1// 5d) ii s2p2 9f s ii s2p2 6d 1.16977( 9f//r1// 6d) ii s2p2 9f s ii s2p2 7d 1.06144( 9f//r1// 7d) ii s2p2 9f s ii s2p2 8d -1.35331( 9f//r1// 8d) ii s2p2 9f s ii s2p2 9d -86.57704( 9f//r1// 9d) ii s2p2 9f s ii s2p2 5g -0.29273( 9f//r1// 5g) ii s2p2 9f s ii s2p2 6g -0.97657( 9f//r1// 6g) ii s2p2 9f s ii s2p2 7g -3.12572( 9f//r1// 7g) ii s2p2 9f s ii s2p2 8g -14.53654( 9f//r1// 8g) ii s2p2 9f s ii s2p2 9g 110.00432( 9f//r1// 9g) ii s2p2 9f s ii s2p2 7i 0.00000( //r1// ) ii s2p2 9f s ii s2p2 8i 0.00000( //r1// ) ii s2p2 9f s ii s2p2 9i 0.00000( //r1// ) ii s2p2 9f s ii sp4 0.00000( //r1// ) ii s2p2 9f s ii sp3 4p 0.00000( //r1// ) ii s2p2 9f s ii sp3 5p 0.00000( //r1// ) ii s2p2 9f s ii sp3 6p 0.00000( //r1// ) ii s2p2 9f s ii sp3 7p 0.00000( //r1// ) ii s2p2 9f s ii sp3 8p 0.00000( //r1// ) ii s2p2 9f s ii sp3 9p 0.00000( //r1// ) ii s2p2 9f s ii sp3 4f 0.00000( //r1// ) ii s2p2 9f s ii sp3 5f 0.00000( //r1// ) ii s2p2 9f s ii sp3 6f 0.00000( //r1// ) ii s2p2 9f s ii sp3 7f 0.00000( //r1// ) ii s2p2 9f s ii sp3 8f 0.00000( //r1// ) ii s2p2 9f s ii sp3 9f 0.00000( //r1// ) ii s2p2 6h s ii s2p2 4s 0.00000( //r1// ) ii s2p2 6h s ii s2p2 5s 0.00000( //r1// ) ii s2p2 6h s ii s2p2 6s 0.00000( //r1// ) ii s2p2 6h s ii s2p2 7s 0.00000( //r1// ) ii s2p2 6h s ii s2p2 8s 0.00000( //r1// ) ii s2p2 6h s ii s2p2 9s 0.00000( //r1// ) ii s2p2 6h s ii s2p2 3d 0.00000( //r1// ) ii s2p2 6h s ii s2p2 4d 0.00000( //r1// ) ii s2p2 6h s ii s2p2 5d 0.00000( //r1// ) ii s2p2 6h s ii s2p2 6d 0.00000( //r1// ) ii s2p2 6h s ii s2p2 7d 0.00000( //r1// ) ii s2p2 6h s ii s2p2 8d 0.00000( //r1// ) ii s2p2 6h s ii s2p2 9d 0.00000( //r1// ) ii s2p2 6h s ii s2p2 5g 30.41213( 6h//r1// 5g) ii s2p2 6h s ii s2p2 6g -33.38967( 6h//r1// 6g) ii s2p2 6h s ii s2p2 7g 2.68628( 6h//r1// 7g) ii s2p2 6h s ii s2p2 8g 0.79411( 6h//r1// 8g) ii s2p2 6h s ii s2p2 9g 0.39295( 6h//r1// 9g) ii s2p2 6h s ii s2p2 7i -47.40981( 6h//r1// 7i) ii s2p2 6h s ii s2p2 8i -12.13312( 6h//r1// 8i) ii s2p2 6h s ii s2p2 9i -5.65388( 6h//r1// 9i) ii s2p2 6h s ii sp4 0.00000( //r1// ) ii s2p2 6h s ii sp3 4p 0.00000( //r1// ) ii s2p2 6h s ii sp3 5p 0.00000( //r1// ) ii s2p2 6h s ii sp3 6p 0.00000( //r1// ) ii s2p2 6h s ii sp3 7p 0.00000( //r1// ) ii s2p2 6h s ii sp3 8p 0.00000( //r1// ) ii s2p2 6h s ii sp3 9p 0.00000( //r1// ) ii s2p2 6h s ii sp3 4f 0.00000( //r1// ) ii s2p2 6h s ii sp3 5f 0.00000( //r1// ) ii s2p2 6h s ii sp3 6f 0.00000( //r1// ) ii s2p2 6h s ii sp3 7f 0.00000( //r1// ) ii s2p2 6h s ii sp3 8f 0.00000( //r1// ) ii s2p2 6h s ii sp3 9f 0.00000( //r1// ) ii s2p2 7h s ii s2p2 4s 0.00000( //r1// ) ii s2p2 7h s ii s2p2 5s 0.00000( //r1// ) ii s2p2 7h s ii s2p2 6s 0.00000( //r1// ) ii s2p2 7h s ii s2p2 7s 0.00000( //r1// ) ii s2p2 7h s ii s2p2 8s 0.00000( //r1// ) ii s2p2 7h s ii s2p2 9s 0.00000( //r1// ) ii s2p2 7h s ii s2p2 3d 0.00000( //r1// ) ii s2p2 7h s ii s2p2 4d 0.00000( //r1// ) ii s2p2 7h s ii s2p2 5d 0.00000( //r1// ) ii s2p2 7h s ii s2p2 6d 0.00000( //r1// ) ii s2p2 7h s ii s2p2 7d 0.00000( //r1// ) ii s2p2 7h s ii s2p2 8d 0.00000( //r1// ) ii s2p2 7h s ii s2p2 9d 0.00000( //r1// ) ii s2p2 7h s ii s2p2 5g 8.34102( 7h//r1// 5g) ii s2p2 7h s ii s2p2 6g 36.90551( 7h//r1// 6g) ii s2p2 7h s ii s2p2 7g -57.55048( 7h//r1// 7g) ii s2p2 7h s ii s2p2 8g 5.52508( 7h//r1// 8g) ii s2p2 7h s ii s2p2 9g 1.70007( 7h//r1// 9g) ii s2p2 7h s ii s2p2 7i 46.36715( 7h//r1// 7i) ii s2p2 7h s ii s2p2 8i -55.80316( 7h//r1// 8i) ii s2p2 7h s ii s2p2 9i -17.45328( 7h//r1// 9i) ii s2p2 7h s ii sp4 0.00000( //r1// ) ii s2p2 7h s ii sp3 4p 0.00000( //r1// ) ii s2p2 7h s ii sp3 5p 0.00000( //r1// ) ii s2p2 7h s ii sp3 6p 0.00000( //r1// ) ii s2p2 7h s ii sp3 7p 0.00000( //r1// ) ii s2p2 7h s ii sp3 8p 0.00000( //r1// ) ii s2p2 7h s ii sp3 9p 0.00000( //r1// ) ii s2p2 7h s ii sp3 4f 0.00000( //r1// ) ii s2p2 7h s ii sp3 5f 0.00000( //r1// ) ii s2p2 7h s ii sp3 6f 0.00000( //r1// ) ii s2p2 7h s ii sp3 7f 0.00000( //r1// ) ii s2p2 7h s ii sp3 8f 0.00000( //r1// ) ii s2p2 7h s ii sp3 9f 0.00000( //r1// ) ii s2p2 8h s ii s2p2 4s 0.00000( //r1// ) ii s2p2 8h s ii s2p2 5s 0.00000( //r1// ) ii s2p2 8h s ii s2p2 6s 0.00000( //r1// ) ii s2p2 8h s ii s2p2 7s 0.00000( //r1// ) ii s2p2 8h s ii s2p2 8s 0.00000( //r1// ) ii s2p2 8h s ii s2p2 9s 0.00000( //r1// ) ii s2p2 8h s ii s2p2 3d 0.00000( //r1// ) ii s2p2 8h s ii s2p2 4d 0.00000( //r1// ) ii s2p2 8h s ii s2p2 5d 0.00000( //r1// ) ii s2p2 8h s ii s2p2 6d 0.00000( //r1// ) ii s2p2 8h s ii s2p2 7d 0.00000( //r1// ) ii s2p2 8h s ii s2p2 8d 0.00000( //r1// ) ii s2p2 8h s ii s2p2 9d 0.00000( //r1// ) ii s2p2 8h s ii s2p2 5g 4.07682( 8h//r1// 5g) ii s2p2 8h s ii s2p2 6g 12.15083( 8h//r1// 6g) ii s2p2 8h s ii s2p2 7g 44.17818( 8h//r1// 7g) ii s2p2 8h s ii s2p2 8g -83.85323( 8h//r1// 8g) ii s2p2 8h s ii s2p2 9g 9.06283( 8h//r1// 9g) ii s2p2 8h s ii s2p2 7i -3.34381( 8h//r1// 7i) ii s2p2 8h s ii s2p2 8i 77.77028( 8h//r1// 8i) ii s2p2 8h s ii s2p2 9i -65.10433( 8h//r1// 9i) ii s2p2 8h s ii sp4 0.00000( //r1// ) ii s2p2 8h s ii sp3 4p 0.00000( //r1// ) ii s2p2 8h s ii sp3 5p 0.00000( //r1// ) ii s2p2 8h s ii sp3 6p 0.00000( //r1// ) ii s2p2 8h s ii sp3 7p 0.00000( //r1// ) ii s2p2 8h s ii sp3 8p 0.00000( //r1// ) ii s2p2 8h s ii sp3 9p 0.00000( //r1// ) ii s2p2 8h s ii sp3 4f 0.00000( //r1// ) ii s2p2 8h s ii sp3 5f 0.00000( //r1// ) ii s2p2 8h s ii sp3 6f 0.00000( //r1// ) ii s2p2 8h s ii sp3 7f 0.00000( //r1// ) ii s2p2 8h s ii sp3 8f 0.00000( //r1// ) ii s2p2 8h s ii sp3 9f 0.00000( //r1// ) ii s2p2 9h s ii s2p2 4s 0.00000( //r1// ) ii s2p2 9h s ii s2p2 5s 0.00000( //r1// ) ii s2p2 9h s ii s2p2 6s 0.00000( //r1// ) ii s2p2 9h s ii s2p2 7s 0.00000( //r1// ) ii s2p2 9h s ii s2p2 8s 0.00000( //r1// ) ii s2p2 9h s ii s2p2 9s 0.00000( //r1// ) ii s2p2 9h s ii s2p2 3d 0.00000( //r1// ) ii s2p2 9h s ii s2p2 4d 0.00000( //r1// ) ii s2p2 9h s ii s2p2 5d 0.00000( //r1// ) ii s2p2 9h s ii s2p2 6d 0.00000( //r1// ) ii s2p2 9h s ii s2p2 7d 0.00000( //r1// ) ii s2p2 9h s ii s2p2 8d 0.00000( //r1// ) ii s2p2 9h s ii s2p2 9d 0.00000( //r1// ) ii s2p2 9h s ii s2p2 5g 2.51834( 9h//r1// 5g) ii s2p2 9h s ii s2p2 6g 6.38586( 9h//r1// 6g) ii s2p2 9h s ii s2p2 7g 15.59805( 9h//r1// 7g) ii s2p2 9h s ii s2p2 8g 52.19720( 9h//r1// 8g) ii s2p2 9h s ii s2p2 9g -113.04802( 9h//r1// 9g) ii s2p2 9h s ii s2p2 7i -0.92814( 9h//r1// 7i) ii s2p2 9h s ii s2p2 8i -6.71185( 9h//r1// 8i) ii s2p2 9h s ii s2p2 9i 110.91588( 9h//r1// 9i) ii s2p2 9h s ii sp4 0.00000( //r1// ) ii s2p2 9h s ii sp3 4p 0.00000( //r1// ) ii s2p2 9h s ii sp3 5p 0.00000( //r1// ) ii s2p2 9h s ii sp3 6p 0.00000( //r1// ) ii s2p2 9h s ii sp3 7p 0.00000( //r1// ) ii s2p2 9h s ii sp3 8p 0.00000( //r1// ) ii s2p2 9h s ii sp3 9p 0.00000( //r1// ) ii s2p2 9h s ii sp3 4f 0.00000( //r1// ) ii s2p2 9h s ii sp3 5f 0.00000( //r1// ) ii s2p2 9h s ii sp3 6f 0.00000( //r1// ) ii s2p2 9h s ii sp3 7f 0.00000( //r1// ) ii s2p2 9h s ii sp3 8f 0.00000( //r1// ) ii s2p2 9h s ii sp3 9f 0.00000( //r1// ) ii s2p2 8k s ii s2p2 4s 0.00000( //r1// ) ii s2p2 8k s ii s2p2 5s 0.00000( //r1// ) ii s2p2 8k s ii s2p2 6s 0.00000( //r1// ) ii s2p2 8k s ii s2p2 7s 0.00000( //r1// ) ii s2p2 8k s ii s2p2 8s 0.00000( //r1// ) ii s2p2 8k s ii s2p2 9s 0.00000( //r1// ) ii s2p2 8k s ii s2p2 3d 0.00000( //r1// ) ii s2p2 8k s ii s2p2 4d 0.00000( //r1// ) ii s2p2 8k s ii s2p2 5d 0.00000( //r1// ) ii s2p2 8k s ii s2p2 6d 0.00000( //r1// ) ii s2p2 8k s ii s2p2 7d 0.00000( //r1// ) ii s2p2 8k s ii s2p2 8d 0.00000( //r1// ) ii s2p2 8k s ii s2p2 9d 0.00000( //r1// ) ii s2p2 8k s ii s2p2 5g 0.00000( //r1// ) ii s2p2 8k s ii s2p2 6g 0.00000( //r1// ) ii s2p2 8k s ii s2p2 7g 0.00000( //r1// ) ii s2p2 8k s ii s2p2 8g 0.00000( //r1// ) ii s2p2 8k s ii s2p2 9g 0.00000( //r1// ) ii s2p2 8k s ii s2p2 7i 69.06345( 8k//r1// 7i) ii s2p2 8k s ii s2p2 8i -61.48173( 8k//r1// 8i) ii s2p2 8k s ii s2p2 9i 4.08017( 8k//r1// 9i) ii s2p2 8k s ii sp4 0.00000( //r1// ) ii s2p2 8k s ii sp3 4p 0.00000( //r1// ) ii s2p2 8k s ii sp3 5p 0.00000( //r1// ) ii s2p2 8k s ii sp3 6p 0.00000( //r1// ) ii s2p2 8k s ii sp3 7p 0.00000( //r1// ) ii s2p2 8k s ii sp3 8p 0.00000( //r1// ) ii s2p2 8k s ii sp3 9p 0.00000( //r1// ) ii s2p2 8k s ii sp3 4f 0.00000( //r1// ) ii s2p2 8k s ii sp3 5f 0.00000( //r1// ) ii s2p2 8k s ii sp3 6f 0.00000( //r1// ) ii s2p2 8k s ii sp3 7f 0.00000( //r1// ) ii s2p2 8k s ii sp3 8f 0.00000( //r1// ) ii s2p2 8k s ii sp3 9f 0.00000( //r1// ) ii s2p2 9k s ii s2p2 4s 0.00000( //r1// ) ii s2p2 9k s ii s2p2 5s 0.00000( //r1// ) ii s2p2 9k s ii s2p2 6s 0.00000( //r1// ) ii s2p2 9k s ii s2p2 7s 0.00000( //r1// ) ii s2p2 9k s ii s2p2 8s 0.00000( //r1// ) ii s2p2 9k s ii s2p2 9s 0.00000( //r1// ) ii s2p2 9k s ii s2p2 3d 0.00000( //r1// ) ii s2p2 9k s ii s2p2 4d 0.00000( //r1// ) ii s2p2 9k s ii s2p2 5d 0.00000( //r1// ) ii s2p2 9k s ii s2p2 6d 0.00000( //r1// ) ii s2p2 9k s ii s2p2 7d 0.00000( //r1// ) ii s2p2 9k s ii s2p2 8d 0.00000( //r1// ) ii s2p2 9k s ii s2p2 9d 0.00000( //r1// ) ii s2p2 9k s ii s2p2 5g 0.00000( //r1// ) ii s2p2 9k s ii s2p2 6g 0.00000( //r1// ) ii s2p2 9k s ii s2p2 7g 0.00000( //r1// ) ii s2p2 9k s ii s2p2 8g 0.00000( //r1// ) ii s2p2 9k s ii s2p2 9g 0.00000( //r1// ) ii s2p2 9k s ii s2p2 7i 16.63692( 9k//r1// 7i) ii s2p2 9k s ii s2p2 8i 79.45768( 9k//r1// 8i) ii s2p2 9k s ii s2p2 9i -101.02453( 9k//r1// 9i) ii s2p2 9k s ii sp4 0.00000( //r1// ) ii s2p2 9k s ii sp3 4p 0.00000( //r1// ) ii s2p2 9k s ii sp3 5p 0.00000( //r1// ) ii s2p2 9k s ii sp3 6p 0.00000( //r1// ) ii s2p2 9k s ii sp3 7p 0.00000( //r1// ) ii s2p2 9k s ii sp3 8p 0.00000( //r1// ) ii s2p2 9k s ii sp3 9p 0.00000( //r1// ) ii s2p2 9k s ii sp3 4f 0.00000( //r1// ) ii s2p2 9k s ii sp3 5f 0.00000( //r1// ) ii s2p2 9k s ii sp3 6f 0.00000( //r1// ) ii s2p2 9k s ii sp3 7f 0.00000( //r1// ) ii s2p2 9k s ii sp3 8f 0.00000( //r1// ) ii s2p2 9k s ii sp3 9f 0.00000( //r1// ) ii sp3 4s s ii s2p2 4s 0.00000( //r1// ) ii sp3 4s s ii s2p2 5s 0.00000( //r1// ) ii sp3 4s s ii s2p2 6s 0.00000( //r1// ) ii sp3 4s s ii s2p2 7s 0.00000( //r1// ) ii sp3 4s s ii s2p2 8s 0.00000( //r1// ) ii sp3 4s s ii s2p2 9s 0.00000( //r1// ) ii sp3 4s s ii s2p2 3d 0.00000( //r1// ) ii sp3 4s s ii s2p2 4d 0.00000( //r1// ) ii sp3 4s s ii s2p2 5d 0.00000( //r1// ) ii sp3 4s s ii s2p2 6d 0.00000( //r1// ) ii sp3 4s s ii s2p2 7d 0.00000( //r1// ) ii sp3 4s s ii s2p2 8d 0.00000( //r1// ) ii sp3 4s s ii s2p2 9d 0.00000( //r1// ) ii sp3 4s s ii s2p2 5g 0.00000( //r1// ) ii sp3 4s s ii s2p2 6g 0.00000( //r1// ) ii sp3 4s s ii s2p2 7g 0.00000( //r1// ) ii sp3 4s s ii s2p2 8g 0.00000( //r1// ) ii sp3 4s s ii s2p2 9g 0.00000( //r1// ) ii sp3 4s s ii s2p2 7i 0.00000( //r1// ) ii sp3 4s s ii s2p2 8i 0.00000( //r1// ) ii sp3 4s s ii s2p2 9i 0.00000( //r1// ) ii sp3 4s s ii sp4 -0.93342( 4s//r1// 3p) ii sp3 4s s ii sp3 4p 4.64280( 4s//r1// 4p) ii sp3 4s s ii sp3 5p -0.01676( 4s//r1// 5p) ii sp3 4s s ii sp3 6p -0.08154( 4s//r1// 6p) ii sp3 4s s ii sp3 7p -0.07399( 4s//r1// 7p) ii sp3 4s s ii sp3 8p -0.06250( 4s//r1// 8p) ii sp3 4s s ii sp3 9p -0.05284( 4s//r1// 9p) ii sp3 4s s ii sp3 4f 0.00000( //r1// ) ii sp3 4s s ii sp3 5f 0.00000( //r1// ) ii sp3 4s s ii sp3 6f 0.00000( //r1// ) ii sp3 4s s ii sp3 7f 0.00000( //r1// ) ii sp3 4s s ii sp3 8f 0.00000( //r1// ) ii sp3 4s s ii sp3 9f 0.00000( //r1// ) ii sp3 5s s ii s2p2 4s 0.00000( //r1// ) ii sp3 5s s ii s2p2 5s 0.00000( //r1// ) ii sp3 5s s ii s2p2 6s 0.00000( //r1// ) ii sp3 5s s ii s2p2 7s 0.00000( //r1// ) ii sp3 5s s ii s2p2 8s 0.00000( //r1// ) ii sp3 5s s ii s2p2 9s 0.00000( //r1// ) ii sp3 5s s ii s2p2 3d 0.00000( //r1// ) ii sp3 5s s ii s2p2 4d 0.00000( //r1// ) ii sp3 5s s ii s2p2 5d 0.00000( //r1// ) ii sp3 5s s ii s2p2 6d 0.00000( //r1// ) ii sp3 5s s ii s2p2 7d 0.00000( //r1// ) ii sp3 5s s ii s2p2 8d 0.00000( //r1// ) ii sp3 5s s ii s2p2 9d 0.00000( //r1// ) ii sp3 5s s ii s2p2 5g 0.00000( //r1// ) ii sp3 5s s ii s2p2 6g 0.00000( //r1// ) ii sp3 5s s ii s2p2 7g 0.00000( //r1// ) ii sp3 5s s ii s2p2 8g 0.00000( //r1// ) ii sp3 5s s ii s2p2 9g 0.00000( //r1// ) ii sp3 5s s ii s2p2 7i 0.00000( //r1// ) ii sp3 5s s ii s2p2 8i 0.00000( //r1// ) ii sp3 5s s ii s2p2 9i 0.00000( //r1// ) ii sp3 5s s ii sp4 -0.31399( 5s//r1// 3p) ii sp3 5s s ii sp3 4p -3.18494( 5s//r1// 4p) ii sp3 5s s ii sp3 5p 8.85164( 5s//r1// 5p) ii sp3 5s s ii sp3 6p 0.14579( 5s//r1// 6p) ii sp3 5s s ii sp3 7p -0.05293( 5s//r1// 7p) ii sp3 5s s ii sp3 8p -0.06993( 5s//r1// 8p) ii sp3 5s s ii sp3 9p -0.06557( 5s//r1// 9p) ii sp3 5s s ii sp3 4f 0.00000( //r1// ) ii sp3 5s s ii sp3 5f 0.00000( //r1// ) ii sp3 5s s ii sp3 6f 0.00000( //r1// ) ii sp3 5s s ii sp3 7f 0.00000( //r1// ) ii sp3 5s s ii sp3 8f 0.00000( //r1// ) ii sp3 5s s ii sp3 9f 0.00000( //r1// ) ii sp3 6s s ii s2p2 4s 0.00000( //r1// ) ii sp3 6s s ii s2p2 5s 0.00000( //r1// ) ii sp3 6s s ii s2p2 6s 0.00000( //r1// ) ii sp3 6s s ii s2p2 7s 0.00000( //r1// ) ii sp3 6s s ii s2p2 8s 0.00000( //r1// ) ii sp3 6s s ii s2p2 9s 0.00000( //r1// ) ii sp3 6s s ii s2p2 3d 0.00000( //r1// ) ii sp3 6s s ii s2p2 4d 0.00000( //r1// ) ii sp3 6s s ii s2p2 5d 0.00000( //r1// ) ii sp3 6s s ii s2p2 6d 0.00000( //r1// ) ii sp3 6s s ii s2p2 7d 0.00000( //r1// ) ii sp3 6s s ii s2p2 8d 0.00000( //r1// ) ii sp3 6s s ii s2p2 9d 0.00000( //r1// ) ii sp3 6s s ii s2p2 5g 0.00000( //r1// ) ii sp3 6s s ii s2p2 6g 0.00000( //r1// ) ii sp3 6s s ii s2p2 7g 0.00000( //r1// ) ii sp3 6s s ii s2p2 8g 0.00000( //r1// ) ii sp3 6s s ii s2p2 9g 0.00000( //r1// ) ii sp3 6s s ii s2p2 7i 0.00000( //r1// ) ii sp3 6s s ii s2p2 8i 0.00000( //r1// ) ii sp3 6s s ii s2p2 9i 0.00000( //r1// ) ii sp3 6s s ii sp4 -0.17673( 6s//r1// 3p) ii sp3 6s s ii sp3 4p -0.84349( 6s//r1// 4p) ii sp3 6s s ii sp3 5p -6.19139( 6s//r1// 5p) ii sp3 6s s ii sp3 6p 14.34630( 6s//r1// 6p) ii sp3 6s s ii sp3 7p 0.37297( 6s//r1// 7p) ii sp3 6s s ii sp3 8p -0.00241( 6s//r1// 8p) ii sp3 6s s ii sp3 9p -0.05463( 6s//r1// 9p) ii sp3 6s s ii sp3 4f 0.00000( //r1// ) ii sp3 6s s ii sp3 5f 0.00000( //r1// ) ii sp3 6s s ii sp3 6f 0.00000( //r1// ) ii sp3 6s s ii sp3 7f 0.00000( //r1// ) ii sp3 6s s ii sp3 8f 0.00000( //r1// ) ii sp3 6s s ii sp3 9f 0.00000( //r1// ) ii sp3 7s s ii s2p2 4s 0.00000( //r1// ) ii sp3 7s s ii s2p2 5s 0.00000( //r1// ) ii sp3 7s s ii s2p2 6s 0.00000( //r1// ) ii sp3 7s s ii s2p2 7s 0.00000( //r1// ) ii sp3 7s s ii s2p2 8s 0.00000( //r1// ) ii sp3 7s s ii s2p2 9s 0.00000( //r1// ) ii sp3 7s s ii s2p2 3d 0.00000( //r1// ) ii sp3 7s s ii s2p2 4d 0.00000( //r1// ) ii sp3 7s s ii s2p2 5d 0.00000( //r1// ) ii sp3 7s s ii s2p2 6d 0.00000( //r1// ) ii sp3 7s s ii s2p2 7d 0.00000( //r1// ) ii sp3 7s s ii s2p2 8d 0.00000( //r1// ) ii sp3 7s s ii s2p2 9d 0.00000( //r1// ) ii sp3 7s s ii s2p2 5g 0.00000( //r1// ) ii sp3 7s s ii s2p2 6g 0.00000( //r1// ) ii sp3 7s s ii s2p2 7g 0.00000( //r1// ) ii sp3 7s s ii s2p2 8g 0.00000( //r1// ) ii sp3 7s s ii s2p2 9g 0.00000( //r1// ) ii sp3 7s s ii s2p2 7i 0.00000( //r1// ) ii sp3 7s s ii s2p2 8i 0.00000( //r1// ) ii sp3 7s s ii s2p2 9i 0.00000( //r1// ) ii sp3 7s s ii sp4 -0.11909( 7s//r1// 3p) ii sp3 7s s ii sp3 4p -0.45154( 7s//r1// 4p) ii sp3 7s s ii sp3 5p -1.52969( 7s//r1// 5p) ii sp3 7s s ii sp3 6p -10.03573( 7s//r1// 6p) ii sp3 7s s ii sp3 7p 21.13599( 7s//r1// 7p) ii sp3 7s s ii sp3 8p 0.66185( 7s//r1// 8p) ii sp3 7s s ii sp3 9p 0.06764( 7s//r1// 9p) ii sp3 7s s ii sp3 4f 0.00000( //r1// ) ii sp3 7s s ii sp3 5f 0.00000( //r1// ) ii sp3 7s s ii sp3 6f 0.00000( //r1// ) ii sp3 7s s ii sp3 7f 0.00000( //r1// ) ii sp3 7s s ii sp3 8f 0.00000( //r1// ) ii sp3 7s s ii sp3 9f 0.00000( //r1// ) ii sp3 8s s ii s2p2 4s 0.00000( //r1// ) ii sp3 8s s ii s2p2 5s 0.00000( //r1// ) ii sp3 8s s ii s2p2 6s 0.00000( //r1// ) ii sp3 8s s ii s2p2 7s 0.00000( //r1// ) ii sp3 8s s ii s2p2 8s 0.00000( //r1// ) ii sp3 8s s ii s2p2 9s 0.00000( //r1// ) ii sp3 8s s ii s2p2 3d 0.00000( //r1// ) ii sp3 8s s ii s2p2 4d 0.00000( //r1// ) ii sp3 8s s ii s2p2 5d 0.00000( //r1// ) ii sp3 8s s ii s2p2 6d 0.00000( //r1// ) ii sp3 8s s ii s2p2 7d 0.00000( //r1// ) ii sp3 8s s ii s2p2 8d 0.00000( //r1// ) ii sp3 8s s ii s2p2 9d 0.00000( //r1// ) ii sp3 8s s ii s2p2 5g 0.00000( //r1// ) ii sp3 8s s ii s2p2 6g 0.00000( //r1// ) ii sp3 8s s ii s2p2 7g 0.00000( //r1// ) ii sp3 8s s ii s2p2 8g 0.00000( //r1// ) ii sp3 8s s ii s2p2 9g 0.00000( //r1// ) ii sp3 8s s ii s2p2 7i 0.00000( //r1// ) ii sp3 8s s ii s2p2 8i 0.00000( //r1// ) ii sp3 8s s ii s2p2 9i 0.00000( //r1// ) ii sp3 8s s ii sp4 -0.08792( 8s//r1// 3p) ii sp3 8s s ii sp3 4p -0.29957( 8s//r1// 4p) ii sp3 8s s ii sp3 5p -0.79664( 8s//r1// 5p) ii sp3 8s s ii sp3 6p -2.39118( 8s//r1// 6p) ii sp3 8s s ii sp3 7p -14.74641( 8s//r1// 7p) ii sp3 8s s ii sp3 8p 29.22033( 8s//r1// 8p) ii sp3 8s s ii sp3 9p 1.01398( 8s//r1// 9p) ii sp3 8s s ii sp3 4f 0.00000( //r1// ) ii sp3 8s s ii sp3 5f 0.00000( //r1// ) ii sp3 8s s ii sp3 6f 0.00000( //r1// ) ii sp3 8s s ii sp3 7f 0.00000( //r1// ) ii sp3 8s s ii sp3 8f 0.00000( //r1// ) ii sp3 8s s ii sp3 9f 0.00000( //r1// ) ii sp3 9s s ii s2p2 4s 0.00000( //r1// ) ii sp3 9s s ii s2p2 5s 0.00000( //r1// ) ii sp3 9s s ii s2p2 6s 0.00000( //r1// ) ii sp3 9s s ii s2p2 7s 0.00000( //r1// ) ii sp3 9s s ii s2p2 8s 0.00000( //r1// ) ii sp3 9s s ii s2p2 9s 0.00000( //r1// ) ii sp3 9s s ii s2p2 3d 0.00000( //r1// ) ii sp3 9s s ii s2p2 4d 0.00000( //r1// ) ii sp3 9s s ii s2p2 5d 0.00000( //r1// ) ii sp3 9s s ii s2p2 6d 0.00000( //r1// ) ii sp3 9s s ii s2p2 7d 0.00000( //r1// ) ii sp3 9s s ii s2p2 8d 0.00000( //r1// ) ii sp3 9s s ii s2p2 9d 0.00000( //r1// ) ii sp3 9s s ii s2p2 5g 0.00000( //r1// ) ii sp3 9s s ii s2p2 6g 0.00000( //r1// ) ii sp3 9s s ii s2p2 7g 0.00000( //r1// ) ii sp3 9s s ii s2p2 8g 0.00000( //r1// ) ii sp3 9s s ii s2p2 9g 0.00000( //r1// ) ii sp3 9s s ii s2p2 7i 0.00000( //r1// ) ii sp3 9s s ii s2p2 8i 0.00000( //r1// ) ii sp3 9s s ii s2p2 9i 0.00000( //r1// ) ii sp3 9s s ii sp4 -0.06861( 9s//r1// 3p) ii sp3 9s s ii sp3 4p -0.22032( 9s//r1// 4p) ii sp3 9s s ii sp3 5p -0.52158( 9s//r1// 5p) ii sp3 9s s ii sp3 6p -1.22227( 9s//r1// 6p) ii sp3 9s s ii sp3 7p -3.42997( 9s//r1// 7p) ii sp3 9s s ii sp3 8p -20.33185( 9s//r1// 8p) ii sp3 9s s ii sp3 9p 38.59935( 9s//r1// 9p) ii sp3 9s s ii sp3 4f 0.00000( //r1// ) ii sp3 9s s ii sp3 5f 0.00000( //r1// ) ii sp3 9s s ii sp3 6f 0.00000( //r1// ) ii sp3 9s s ii sp3 7f 0.00000( //r1// ) ii sp3 9s s ii sp3 8f 0.00000( //r1// ) ii sp3 9s s ii sp3 9f 0.00000( //r1// ) ii sp3 3d s ii s2p2 4s 0.00000( //r1// ) ii sp3 3d s ii s2p2 5s 0.00000( //r1// ) ii sp3 3d s ii s2p2 6s 0.00000( //r1// ) ii sp3 3d s ii s2p2 7s 0.00000( //r1// ) ii sp3 3d s ii s2p2 8s 0.00000( //r1// ) ii sp3 3d s ii s2p2 9s 0.00000( //r1// ) ii sp3 3d s ii s2p2 3d 0.00000( //r1// ) ii sp3 3d s ii s2p2 4d 0.00000( //r1// ) ii sp3 3d s ii s2p2 5d 0.00000( //r1// ) ii sp3 3d s ii s2p2 6d 0.00000( //r1// ) ii sp3 3d s ii s2p2 7d 0.00000( //r1// ) ii sp3 3d s ii s2p2 8d 0.00000( //r1// ) ii sp3 3d s ii s2p2 9d 0.00000( //r1// ) ii sp3 3d s ii s2p2 5g 0.00000( //r1// ) ii sp3 3d s ii s2p2 6g 0.00000( //r1// ) ii sp3 3d s ii s2p2 7g 0.00000( //r1// ) ii sp3 3d s ii s2p2 8g 0.00000( //r1// ) ii sp3 3d s ii s2p2 9g 0.00000( //r1// ) ii sp3 3d s ii s2p2 7i 0.00000( //r1// ) ii sp3 3d s ii s2p2 8i 0.00000( //r1// ) ii sp3 3d s ii s2p2 9i 0.00000( //r1// ) ii sp3 3d s ii sp4 -2.78335( 3d//r1// 3p) ii sp3 3d s ii sp3 4p 3.67482( 3d//r1// 4p) ii sp3 3d s ii sp3 5p 0.33325( 3d//r1// 5p) ii sp3 3d s ii sp3 6p 0.15989( 3d//r1// 6p) ii sp3 3d s ii sp3 7p 0.10018( 3d//r1// 7p) ii sp3 3d s ii sp3 8p 0.07068( 3d//r1// 8p) ii sp3 3d s ii sp3 9p 0.05340( 3d//r1// 9p) ii sp3 3d s ii sp3 4f -3.57214( 3d//r1// 4f) ii sp3 3d s ii sp3 5f -2.05302( 3d//r1// 5f) ii sp3 3d s ii sp3 6f -1.39091( 3d//r1// 6f) ii sp3 3d s ii sp3 7f -1.02898( 3d//r1// 7f) ii sp3 3d s ii sp3 8f -0.80387( 3d//r1// 8f) ii sp3 3d s ii sp3 9f -0.65185( 3d//r1// 9f) ii sp3 4d s ii s2p2 4s 0.00000( //r1// ) ii sp3 4d s ii s2p2 5s 0.00000( //r1// ) ii sp3 4d s ii s2p2 6s 0.00000( //r1// ) ii sp3 4d s ii s2p2 7s 0.00000( //r1// ) ii sp3 4d s ii s2p2 8s 0.00000( //r1// ) ii sp3 4d s ii s2p2 9s 0.00000( //r1// ) ii sp3 4d s ii s2p2 3d 0.00000( //r1// ) ii sp3 4d s ii s2p2 4d 0.00000( //r1// ) ii sp3 4d s ii s2p2 5d 0.00000( //r1// ) ii sp3 4d s ii s2p2 6d 0.00000( //r1// ) ii sp3 4d s ii s2p2 7d 0.00000( //r1// ) ii sp3 4d s ii s2p2 8d 0.00000( //r1// ) ii sp3 4d s ii s2p2 9d 0.00000( //r1// ) ii sp3 4d s ii s2p2 5g 0.00000( //r1// ) ii sp3 4d s ii s2p2 6g 0.00000( //r1// ) ii sp3 4d s ii s2p2 7g 0.00000( //r1// ) ii sp3 4d s ii s2p2 8g 0.00000( //r1// ) ii sp3 4d s ii s2p2 9g 0.00000( //r1// ) ii sp3 4d s ii s2p2 7i 0.00000( //r1// ) ii sp3 4d s ii s2p2 8i 0.00000( //r1// ) ii sp3 4d s ii s2p2 9i 0.00000( //r1// ) ii sp3 4d s ii sp4 -0.46377( 4d//r1// 3p) ii sp3 4d s ii sp3 4p -7.01980( 4d//r1// 4p) ii sp3 4d s ii sp3 5p 9.50428( 4d//r1// 5p) ii sp3 4d s ii sp3 6p 0.57114( 4d//r1// 6p) ii sp3 4d s ii sp3 7p 0.25607( 4d//r1// 7p) ii sp3 4d s ii sp3 8p 0.15967( 4d//r1// 8p) ii sp3 4d s ii sp3 9p 0.11369( 4d//r1// 9p) ii sp3 4d s ii sp3 4f 13.85897( 4d//r1// 4f) ii sp3 4d s ii sp3 5f -1.96265( 4d//r1// 5f) ii sp3 4d s ii sp3 6f -1.60334( 4d//r1// 6f) ii sp3 4d s ii sp3 7f -1.21795( 4d//r1// 7f) ii sp3 4d s ii sp3 8f -0.95806( 4d//r1// 8f) ii sp3 4d s ii sp3 9f -0.77929( 4d//r1// 9f) ii sp3 5d s ii s2p2 4s 0.00000( //r1// ) ii sp3 5d s ii s2p2 5s 0.00000( //r1// ) ii sp3 5d s ii s2p2 6s 0.00000( //r1// ) ii sp3 5d s ii s2p2 7s 0.00000( //r1// ) ii sp3 5d s ii s2p2 8s 0.00000( //r1// ) ii sp3 5d s ii s2p2 9s 0.00000( //r1// ) ii sp3 5d s ii s2p2 3d 0.00000( //r1// ) ii sp3 5d s ii s2p2 4d 0.00000( //r1// ) ii sp3 5d s ii s2p2 5d 0.00000( //r1// ) ii sp3 5d s ii s2p2 6d 0.00000( //r1// ) ii sp3 5d s ii s2p2 7d 0.00000( //r1// ) ii sp3 5d s ii s2p2 8d 0.00000( //r1// ) ii sp3 5d s ii s2p2 9d 0.00000( //r1// ) ii sp3 5d s ii s2p2 5g 0.00000( //r1// ) ii sp3 5d s ii s2p2 6g 0.00000( //r1// ) ii sp3 5d s ii s2p2 7g 0.00000( //r1// ) ii sp3 5d s ii s2p2 8g 0.00000( //r1// ) ii sp3 5d s ii s2p2 9g 0.00000( //r1// ) ii sp3 5d s ii s2p2 7i 0.00000( //r1// ) ii sp3 5d s ii s2p2 8i 0.00000( //r1// ) ii sp3 5d s ii s2p2 9i 0.00000( //r1// ) ii sp3 5d s ii sp4 -0.19128( 5d//r1// 3p) ii sp3 5d s ii sp3 4p -1.57025( 5d//r1// 4p) ii sp3 5d s ii sp3 5p -11.81171( 5d//r1// 5p) ii sp3 5d s ii sp3 6p 17.14260( 5d//r1// 6p) ii sp3 5d s ii sp3 7p 0.85112( 5d//r1// 7p) ii sp3 5d s ii sp3 8p 0.36024( 5d//r1// 8p) ii sp3 5d s ii sp3 9p 0.22030( 5d//r1// 9p) ii sp3 5d s ii sp3 4f -7.51650( 5d//r1// 4f) ii sp3 5d s ii sp3 5f 24.16412( 5d//r1// 5f) ii sp3 5d s ii sp3 6f -1.06598( 5d//r1// 6f) ii sp3 5d s ii sp3 7f -1.36658( 5d//r1// 7f) ii sp3 5d s ii sp3 8f -1.14543( 5d//r1// 8f) ii sp3 5d s ii sp3 9f -0.94486( 5d//r1// 9f) ii sp3 6d s ii s2p2 4s 0.00000( //r1// ) ii sp3 6d s ii s2p2 5s 0.00000( //r1// ) ii sp3 6d s ii s2p2 6s 0.00000( //r1// ) ii sp3 6d s ii s2p2 7s 0.00000( //r1// ) ii sp3 6d s ii s2p2 8s 0.00000( //r1// ) ii sp3 6d s ii s2p2 9s 0.00000( //r1// ) ii sp3 6d s ii s2p2 3d 0.00000( //r1// ) ii sp3 6d s ii s2p2 4d 0.00000( //r1// ) ii sp3 6d s ii s2p2 5d 0.00000( //r1// ) ii sp3 6d s ii s2p2 6d 0.00000( //r1// ) ii sp3 6d s ii s2p2 7d 0.00000( //r1// ) ii sp3 6d s ii s2p2 8d 0.00000( //r1// ) ii sp3 6d s ii s2p2 9d 0.00000( //r1// ) ii sp3 6d s ii s2p2 5g 0.00000( //r1// ) ii sp3 6d s ii s2p2 6g 0.00000( //r1// ) ii sp3 6d s ii s2p2 7g 0.00000( //r1// ) ii sp3 6d s ii s2p2 8g 0.00000( //r1// ) ii sp3 6d s ii s2p2 9g 0.00000( //r1// ) ii sp3 6d s ii s2p2 7i 0.00000( //r1// ) ii sp3 6d s ii s2p2 8i 0.00000( //r1// ) ii sp3 6d s ii s2p2 9i 0.00000( //r1// ) ii sp3 6d s ii sp4 -0.10786( 6d//r1// 3p) ii sp3 6d s ii sp3 4p -0.74380( 6d//r1// 4p) ii sp3 6d s ii sp3 5p -2.81657( 6d//r1// 5p) ii sp3 6d s ii sp3 6p -17.61367( 6d//r1// 6p) ii sp3 6d s ii sp3 7p 26.68391( 6d//r1// 7p) ii sp3 6d s ii sp3 8p 1.14994( 6d//r1// 8p) ii sp3 6d s ii sp3 9p 0.46245( 6d//r1// 9p) ii sp3 6d s ii sp3 4f -1.38190( 6d//r1// 4f) ii sp3 6d s ii sp3 5f -14.58195( 6d//r1// 5f) ii sp3 6d s ii sp3 6f 36.36938( 6d//r1// 6f) ii sp3 6d s ii sp3 7f -0.17754( 6d//r1// 7f) ii sp3 6d s ii sp3 8f -1.11717( 6d//r1// 8f) ii sp3 6d s ii sp3 9f -1.05427( 6d//r1// 9f) ii sp3 7d s ii s2p2 4s 0.00000( //r1// ) ii sp3 7d s ii s2p2 5s 0.00000( //r1// ) ii sp3 7d s ii s2p2 6s 0.00000( //r1// ) ii sp3 7d s ii s2p2 7s 0.00000( //r1// ) ii sp3 7d s ii s2p2 8s 0.00000( //r1// ) ii sp3 7d s ii s2p2 9s 0.00000( //r1// ) ii sp3 7d s ii s2p2 3d 0.00000( //r1// ) ii sp3 7d s ii s2p2 4d 0.00000( //r1// ) ii sp3 7d s ii s2p2 5d 0.00000( //r1// ) ii sp3 7d s ii s2p2 6d 0.00000( //r1// ) ii sp3 7d s ii s2p2 7d 0.00000( //r1// ) ii sp3 7d s ii s2p2 8d 0.00000( //r1// ) ii sp3 7d s ii s2p2 9d 0.00000( //r1// ) ii sp3 7d s ii s2p2 5g 0.00000( //r1// ) ii sp3 7d s ii s2p2 6g 0.00000( //r1// ) ii sp3 7d s ii s2p2 7g 0.00000( //r1// ) ii sp3 7d s ii s2p2 8g 0.00000( //r1// ) ii sp3 7d s ii s2p2 9g 0.00000( //r1// ) ii sp3 7d s ii s2p2 7i 0.00000( //r1// ) ii sp3 7d s ii s2p2 8i 0.00000( //r1// ) ii sp3 7d s ii s2p2 9i 0.00000( //r1// ) ii sp3 7d s ii sp4 -0.07122( 7d//r1// 3p) ii sp3 7d s ii sp3 4p -0.45520( 7d//r1// 4p) ii sp3 7d s ii sp3 5p -1.37651( 7d//r1// 5p) ii sp3 7d s ii sp3 6p -4.29674( 7d//r1// 6p) ii sp3 7d s ii sp3 7p -24.47905( 7d//r1// 7p) ii sp3 7d s ii sp3 8p 38.14079( 7d//r1// 8p) ii sp3 7d s ii sp3 9p 1.46484( 7d//r1// 9p) ii sp3 7d s ii sp3 4f -0.65648( 7d//r1// 4f) ii sp3 7d s ii sp3 5f -2.76271( 7d//r1// 5f) ii sp3 7d s ii sp3 6f -23.07553( 7d//r1// 6f) ii sp3 7d s ii sp3 7f 50.66715( 7d//r1// 7f) ii sp3 7d s ii sp3 8f 0.80790( 7d//r1// 8f) ii sp3 7d s ii sp3 9f -0.82792( 7d//r1// 9f) ii sp3 8d s ii s2p2 4s 0.00000( //r1// ) ii sp3 8d s ii s2p2 5s 0.00000( //r1// ) ii sp3 8d s ii s2p2 6s 0.00000( //r1// ) ii sp3 8d s ii s2p2 7s 0.00000( //r1// ) ii sp3 8d s ii s2p2 8s 0.00000( //r1// ) ii sp3 8d s ii s2p2 9s 0.00000( //r1// ) ii sp3 8d s ii s2p2 3d 0.00000( //r1// ) ii sp3 8d s ii s2p2 4d 0.00000( //r1// ) ii sp3 8d s ii s2p2 5d 0.00000( //r1// ) ii sp3 8d s ii s2p2 6d 0.00000( //r1// ) ii sp3 8d s ii s2p2 7d 0.00000( //r1// ) ii sp3 8d s ii s2p2 8d 0.00000( //r1// ) ii sp3 8d s ii s2p2 9d 0.00000( //r1// ) ii sp3 8d s ii s2p2 5g 0.00000( //r1// ) ii sp3 8d s ii s2p2 6g 0.00000( //r1// ) ii sp3 8d s ii s2p2 7g 0.00000( //r1// ) ii sp3 8d s ii s2p2 8g 0.00000( //r1// ) ii sp3 8d s ii s2p2 9g 0.00000( //r1// ) ii sp3 8d s ii s2p2 7i 0.00000( //r1// ) ii sp3 8d s ii s2p2 8i 0.00000( //r1// ) ii sp3 8d s ii s2p2 9i 0.00000( //r1// ) ii sp3 8d s ii sp4 -0.05162( 8d//r1// 3p) ii sp3 8d s ii sp3 4p -0.31642( 8d//r1// 4p) ii sp3 8d s ii sp3 5p -0.85925( 8d//r1// 5p) ii sp3 8d s ii sp3 6p -2.12364( 8d//r1// 6p) ii sp3 8d s ii sp3 7p -6.01822( 8d//r1// 7p) ii sp3 8d s ii sp3 8p -32.42320( 8d//r1// 8p) ii sp3 8d s ii sp3 9p 51.51927( 8d//r1// 9p) ii sp3 8d s ii sp3 4f -0.40943( 8d//r1// 4f) ii sp3 8d s ii sp3 5f -1.31685( 8d//r1// 5f) ii sp3 8d s ii sp3 6f -4.43266( 8d//r1// 6f) ii sp3 8d s ii sp3 7f -33.12091( 8d//r1// 7f) ii sp3 8d s ii sp3 8f 67.09783( 8d//r1// 8f) ii sp3 8d s ii sp3 9f 1.92267( 8d//r1// 9f) ii sp3 9d s ii s2p2 4s 0.00000( //r1// ) ii sp3 9d s ii s2p2 5s 0.00000( //r1// ) ii sp3 9d s ii s2p2 6s 0.00000( //r1// ) ii sp3 9d s ii s2p2 7s 0.00000( //r1// ) ii sp3 9d s ii s2p2 8s 0.00000( //r1// ) ii sp3 9d s ii s2p2 9s 0.00000( //r1// ) ii sp3 9d s ii s2p2 3d 0.00000( //r1// ) ii sp3 9d s ii s2p2 4d 0.00000( //r1// ) ii sp3 9d s ii s2p2 5d 0.00000( //r1// ) ii sp3 9d s ii s2p2 6d 0.00000( //r1// ) ii sp3 9d s ii s2p2 7d 0.00000( //r1// ) ii sp3 9d s ii s2p2 8d 0.00000( //r1// ) ii sp3 9d s ii s2p2 9d 0.00000( //r1// ) ii sp3 9d s ii s2p2 5g 0.00000( //r1// ) ii sp3 9d s ii s2p2 6g 0.00000( //r1// ) ii sp3 9d s ii s2p2 7g 0.00000( //r1// ) ii sp3 9d s ii s2p2 8g 0.00000( //r1// ) ii sp3 9d s ii s2p2 9g 0.00000( //r1// ) ii sp3 9d s ii s2p2 7i 0.00000( //r1// ) ii sp3 9d s ii s2p2 8i 0.00000( //r1// ) ii sp3 9d s ii s2p2 9i 0.00000( //r1// ) ii sp3 9d s ii sp4 -0.03976( 9d//r1// 3p) ii sp3 9d s ii sp3 4p -0.23714( 9d//r1// 4p) ii sp3 9d s ii sp3 5p -0.60606( 9d//r1// 5p) ii sp3 9d s ii sp3 6p -1.33505( 9d//r1// 6p) ii sp3 9d s ii sp3 7p -2.98456( 9d//r1// 7p) ii sp3 9d s ii sp3 8p -7.98522( 9d//r1// 8p) ii sp3 9d s ii sp3 9p -41.45035( 9d//r1// 9p) ii sp3 9d s ii sp3 4f -0.29035( 9d//r1// 4f) ii sp3 9d s ii sp3 5f -0.82125( 9d//r1// 5f) ii sp3 9d s ii sp3 6f -2.11123( 9d//r1// 6f) ii sp3 9d s ii sp3 7f -6.40063( 9d//r1// 7f) ii sp3 9d s ii sp3 8f -44.76088( 9d//r1// 8f) ii sp3 9d s ii sp3 9f 85.67374( 9d//r1// 9f)