1 87272877770 1 3 1000.0000 7 0 0 s 2 p 3 p 0 f 0 h 0 k 0 s 0 d 0 n i s2p3 e= -11965.96874 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 3p e= -11882.84061 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 4p e= -11871.28927 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 5p e= -11867.04362 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 6p e= -11864.99319 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 7p e= -11863.84502 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 8p e= -11863.13732 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 9p e= -11862.67013 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 10p e= -11862.34572 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 11p e= -11862.11131 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 12p e= -11861.93635 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 n i s2p2 13p e= -11861.80230 s 0 p 5 p 0 f 0 h 0 k 0 s 0 d 0 n i p5 e= -11727.72688 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 3p e= -11657.20194 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 4p e= -11645.10982 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 5p e= -11640.73120 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 6p e= -11638.63123 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 7p e= -11637.46035 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 8p e= -11636.74072 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 9p e= -11636.26672 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 10p e= -11635.93811 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 11p e= -11635.70098 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 12p e= -11635.52418 s 0 p 4 p 1 f 0 h 0 k 0 s 0 d 0 n i p4 13p e= -11635.38884 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 4f e= -11867.95254 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 5f e= -11865.47883 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 6f e= -11864.13352 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 7f e= -11863.32224 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 8f e= -11862.79567 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 9f e= -11862.43479 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 10f e= -11862.17659 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 11f e= -11861.98559 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 12f e= -11861.84038 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 n i s2p2 13f e= -11861.72742 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 4f e= -11641.53832 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 5f e= -11639.06349 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 6f e= -11637.71729 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 7f e= -11636.90544 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 8f e= -11636.37852 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 9f e= -11636.01742 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 10f e= -11635.75906 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 11f e= -11635.56795 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 12f e= -11635.42267 s 0 p 4 p 0 f 1 h 0 k 0 s 0 d 0 n i p4 13f e= -11635.30965 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 n i s2p2 6h e= -11864.12543 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 n i s2p2 7h e= -11863.31667 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 n i s2p2 8h e= -11862.79183 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 n i s2p2 9h e= -11862.43193 s 0 p 4 p 0 f 0 h 1 k 0 s 0 d 0 n i p4 6h e= -11637.70749 s 0 p 4 p 0 f 0 h 1 k 0 s 0 d 0 n i p4 7h e= -11636.89870 s 0 p 4 p 0 f 0 h 1 k 0 s 0 d 0 n i p4 8h e= -11636.37386 s 0 p 4 p 0 f 0 h 1 k 0 s 0 d 0 n i p4 9h e= -11636.01396 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 n i s2p2 8k e= -11862.79179 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 n i s2p2 9k e= -11862.43193 s 0 p 4 p 0 f 0 h 0 k 1 s 0 d 0 n i p4 8k e= -11636.37385 s 0 p 4 p 0 f 0 h 0 k 1 s 0 d 0 n i p4 9k e= -11636.01395 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 n i sp3 3s e= -11794.62890 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 n i sp3 4s e= -11775.07792 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 n i sp3 5s e= -11768.98329 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 n i sp3 6s e= -11766.26929 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 n i sp3 7s e= -11764.82493 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 n i sp3 8s e= -11763.96538 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 n i sp3 9s e= -11763.41239 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 n i sp3 10s e= -11763.03591 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 n i sp3 3d e= -11774.31996 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 n i sp3 4d e= -11768.73457 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 n i sp3 5d e= -11766.15679 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 n i sp3 6d e= -11764.76421 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 n i sp3 7d e= -11763.92867 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 n i sp3 8d e= -11763.38846 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 n i sp3 9d e= -11763.01936 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 n i sp3 10d e= -11762.75592 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 3s e= -11894.68766 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 4s e= -11874.69383 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 5s e= -11868.49203 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 6s e= -11865.74112 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 7s e= -11864.28081 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 8s e= -11863.41326 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 9s e= -11862.85586 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 10s e= -11862.47672 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 11s e= -11862.20699 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 12s e= -11862.00830 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 n i s2p2 13s e= -11861.85778 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 3s e= -11666.95918 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 4s e= -11647.89908 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 5s e= -11641.92081 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 6s e= -11639.24650 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 7s e= -11637.81922 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 8s e= -11636.96815 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 9s e= -11636.41986 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 10s e= -11636.04618 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 11s e= -11635.77991 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 12s e= -11635.58353 s 0 p 4 s 1 d 0 g 0 i 0 p 0 f 0 n i p4 13s e= -11635.43460 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 3d e= -11873.70724 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 4d e= -11868.14661 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 5d e= -11865.57939 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 6d e= -11864.19174 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 7d e= -11863.35881 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 8d e= -11862.82008 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 9d e= -11862.45190 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 10d e= -11862.18906 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 11d e= -11861.99489 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 n i s2p2 12d e= -11861.84750 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 3d e= -11647.38480 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 4d e= -11641.77580 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 5d e= -11639.18691 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 6d e= -11637.78889 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 7d e= -11636.95048 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 8d e= -11636.40863 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 9d e= -11636.03850 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 10d e= -11635.77440 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 11d e= -11635.57942 s 0 p 4 s 0 d 1 g 0 i 0 p 0 f 0 n i p4 12d e= -11635.43146 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 n i s2p2 5g e= -11865.46712 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 n i s2p2 6g e= -11864.12591 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 n i s2p2 7g e= -11863.31707 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 n i s2p2 8g e= -11862.79209 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 n i s2p2 9g e= -11862.43216 s 0 p 4 s 0 d 0 g 1 i 0 p 0 f 0 n i p4 5g e= -11639.04935 s 0 p 4 s 0 d 0 g 1 i 0 p 0 f 0 n i p4 6g e= -11637.70806 s 0 p 4 s 0 d 0 g 1 i 0 p 0 f 0 n i p4 7g e= -11636.89920 s 0 p 4 s 0 d 0 g 1 i 0 p 0 f 0 n i p4 8g e= -11636.37419 s 0 p 4 s 0 d 0 g 1 i 0 p 0 f 0 n i p4 9g e= -11636.01425 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 n i s2p2 7i e= -11863.31669 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 n i s2p2 8i e= -11862.79182 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 n i s2p2 9i e= -11862.43190 s 0 p 4 s 0 d 0 g 0 i 1 p 0 f 0 n i p4 7i e= -11636.89875 s 0 p 4 s 0 d 0 g 0 i 1 p 0 f 0 n i p4 8i e= -11636.37385 s 0 p 4 s 0 d 0 g 0 i 1 p 0 f 0 n i p4 9i e= -11636.01393 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 0 n i sp4 e= -11859.80345 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 3p e= -11783.77259 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 4p e= -11771.96537 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 5p e= -11767.65785 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 6p e= -11765.58443 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 7p e= -11764.42575 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 8p e= -11763.71254 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 9p e= -11763.24220 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 10p e= -11762.91585 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 11p e= -11762.68018 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 12p e= -11762.50436 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 13p e= -11762.36970 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 n i sp3 14p e= -11762.26430 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 n i sp3 4f e= -11768.52000 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 n i sp3 5f e= -11766.04561 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 n i sp3 6f e= -11764.69984 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 n i sp3 7f e= -11763.88823 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 n i sp3 8f e= -11763.36146 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 n i sp3 9f e= -11763.00045 n i s2p3 3 0.00E 63236.30F 77.99z n i s2p2 3p 7 83128.13E 73493.48F 98.16z 3.87z 4491.42f 3092.30g 2083.86g n i s2p2 4p 7 94679.48E 73741.40F 98.68z 1.35z 1419.78f 986.75g 691.62g n i s2p2 5p 7 98925.13E 73809.44F 98.83z 0.63z 631.92f 441.26g 314.34g n i s2p2 6p 7 100975.55E 73835.66F 98.88z 0.34z 336.30f 235.49g 169.16g n i s2p2 7p 7 102123.72E 73847.90F 98.91z 0.21z 200.25f 140.49g 101.42g n i s2p2 8p 7 102831.42E 73854.38F 98.92z 0.13z 128.88f 90.55g 65.58g n i s2p2 9p 7 103298.61E 73858.13F 98.93z 0.09z 87.83f 61.78g 44.84g n i s2p2 10p 7 103623.02E 73860.45F 98.93z 0.07z 62.54f 44.03g 32.01g n i s2p2 11p 7 103857.43E 73861.97F 98.94z 0.05z 46.11f 32.49g 23.65g n i s2p2 12p 7 104032.39E 73863.00F 98.94z 0.04z 34.98f 24.66g 17.97g n i s2p2 13p 7 104166.45E 73863.72F 98.94z 0.03z 27.16f 19.16g 13.97g n i p5 2 238241.86E 77.82z n i p4 3p 7 308766.81E 72750.12F 94.63z 3.88z 4578.12f 3141.55g 2125.75g n i p4 4p 7 320858.93E 72982.84F 95.08z 1.36z 1452.68f 1009.62g 709.93g n i p4 5p 7 325237.55E 73047.88F 95.21z 0.63z 647.25f 452.46g 323.25g n i p4 6p 7 327337.52E 73073.18F 95.26z 0.34z 344.50f 241.60g 174.04g n i p4 7p 7 328508.40E 73085.05F 95.28z 0.21z 205.09f 144.13g 104.34g n i p4 8p 7 329228.03E 73091.35F 95.30z 0.13z 131.95f 92.87g 67.44g n i p4 9p 7 329702.03E 73095.00F 95.30z 0.09z 89.88f 63.34g 46.09g n i p4 10p 7 330030.63E 73097.27F 95.31z 0.07z 63.98f 45.13g 32.89g n i p4 11p 7 330267.76E 73098.74F 95.31z 0.05z 47.15f 33.29g 24.29g n i p4 12p 7 330444.56E 73099.75F 95.31z 0.04z 35.75f 25.25g 18.44g n i p4 13p 7 330579.91E 73100.45F 95.31z 0.03z 27.75f 19.61g 14.34g n i s2p2 4f 7 98016.20E 73866.12F 98.95z 0.01z 160.77f 0.90g 0.58g n i s2p2 5f 7 100489.92E 73866.14F 98.95z 0.00z 82.46f 0.76g 0.49g n i s2p2 6f 7 101835.22E 73866.18F 98.95z 0.00z 47.80f 0.55g 0.35g n i s2p2 7f 7 102646.51E 73866.20F 98.95z 0.00z 30.14f 0.39g 0.25g n i s2p2 8f 7 103173.07E 73866.21F 98.95z 0.00z 20.22f 0.29g 0.18g n i s2p2 9f 7 103533.95E 73866.23F 98.95z 0.00z 14.22f 0.21g 0.14g n i s2p2 10f 7 103792.16E 73866.23F 98.95z 0.00z 10.37f 0.16g 0.10g n i s2p2 11f 7 103983.16E 73866.24F 98.95z 0.00z 7.80f 0.12g 0.08g n i s2p2 12f 7 104128.36E 73866.24F 98.95z 0.00z 6.01f 0.10g 0.06g n i s2p2 13f 7 104241.33E 73866.24F 98.95z 0.00z 4.73f 0.08g 0.05g n i p4 4f 7 324430.43E 73102.75F 95.32z 0.01z 163.89f 0.95g 0.61g n i p4 5f 7 326905.25E 73102.78F 95.32z 0.00z 84.11f 0.81g 0.52g n i p4 6f 7 328251.45E 73102.82F 95.32z 0.00z 48.79f 0.59g 0.38g n i p4 7f 7 329063.30E 73102.85F 95.32z 0.00z 30.78f 0.42g 0.27g n i p4 8f 7 329590.22E 73102.87F 95.32z 0.00z 20.66f 0.31g 0.20g n i p4 9f 7 329951.33E 73102.88F 95.32z 0.00z 14.53f 0.23g 0.15g n i p4 10f 7 330209.69E 73102.89F 95.32z 0.00z 10.61f 0.17g 0.11g n i p4 11f 7 330400.79E 73102.90F 95.32z 0.00z 7.98f 0.13g 0.09g n i p4 12f 7 330546.07E 73102.91F 95.32z 0.00z 6.15f 0.11g 0.07g n i p4 13f 7 330659.09E 73102.91F 95.32z 0.00z 4.84f 0.08g 0.05g n i s2p2 6h 7 101843.32E 73866.26F 98.95z 0.00z 12.12f 0.00g 0.00g n i s2p2 7h 7 102652.07E 73866.26F 98.95z 0.00z 7.63f 0.00g 0.00g n i s2p2 8h 7 103176.92E 73866.26F 98.95z 0.00z 5.11f 0.00g 0.00g n i s2p2 9h 7 103536.82E 73866.26F 98.95z 0.00z 3.59f 0.00g 0.00g n i p4 6h 7 328261.26E 73102.92F 95.32z 0.00z 12.34f 0.00g 0.00g n i p4 7h 7 329070.04E 73102.92F 95.32z 0.00z 7.77f 0.00g 0.00g n i p4 8h 7 329594.89E 73102.92F 95.32z 0.00z 5.21f 0.00g 0.00g n i p4 9h 7 329954.79E 73102.92F 95.32z 0.00z 3.66f 0.00g 0.00g n i s2p2 8k 7 103176.95E 73866.26F 98.95z 0.00z 2.01f 0.00g 0.00g n i s2p2 9k 7 103536.81E 73866.26F 98.95z 0.00z 1.41f 0.00g 0.00g n i p4 8k 7 329594.89E 73102.92F 95.32z 0.00z 2.05f 0.00g 0.00g n i p4 9k 7 329954.79E 73102.92F 95.32z 0.00z 1.44f 0.00g 0.00g n i sp3 3s 6 171339.84E 72753.59F 95.71z 97320.04g 2956.68g 2915.65g n i sp3 4s 6 190890.82E 73191.40F 96.46z 97681.25g 783.11g 778.62g n i sp3 5s 6 196985.46E 73284.29F 96.62z 97759.84g 315.69g 315.59g n i sp3 6s 6 199699.46E 73315.56F 96.68z 97786.52g 157.60g 158.02g n i sp3 7s 6 201143.81E 73328.98F 96.70z 97798.01g 89.74g 90.14g n i sp3 8s 6 202003.36E 73335.68F 96.71z 97803.76g 55.88g 56.19g n i sp3 9s 6 202556.35E 73339.40F 96.72z 97806.96g 37.12g 37.35g n i sp3 10s 6 202932.84E 73341.63F 96.73z 97808.87g 25.90g 26.08g n i sp3 3d 9 191648.78E 73319.73F 96.71z 0.03z 1177.71f 97789.25g 123.99g 238.09g n i sp3 3d 132.84g n i sp3 4d 9 197234.17E 73330.24F 96.72z 0.01z 531.49f 97798.45g 82.48g 152.86g n i sp3 4d 85.53g n i sp3 5d 9 199811.95E 73336.90F 96.72z 0.01z 283.58f 97804.38g 51.40g 93.72g n i sp3 5d 52.53g n i sp3 6d 9 201204.54E 73340.56F 96.73z 0.00z 168.65f 97807.66g 33.18g 59.95g n i sp3 6d 33.63g n i sp3 7d 9 202040.07E 73342.64F 96.73z 0.00z 108.28f 97809.54g 22.40g 40.23g n i sp3 7d 22.59g n i sp3 8d 9 202580.29E 73343.90F 96.73z 0.00z 73.60f 97810.68g 15.74g 28.17g n i sp3 8d 15.82g n i sp3 9d 9 202949.39E 73344.70F 96.73z 0.00z 52.29f 97811.41g 11.46g 20.44g n i sp3 9d 11.48g n i sp3 10d 9 203212.82E 73345.24F 96.73z 0.00z 38.47f 97811.89g 8.58g 15.28g n i sp3 10d 8.59g n i s2p3 - s2p2 3p 2 2352.97 9201.07 n i s2p3 - s2p2 4p 2 1308.13 5094.37 n i s2p3 - s2p2 5p 2 868.55 3377.07 n i s2p3 - s2p2 6p 2 632.05 2455.53 n i s2p3 - s2p2 7p 2 487.05 1891.27 n i s2p3 - s2p2 8p 2 390.41 1515.52 n i s2p3 - s2p2 9p 2 322.13 1250.19 n i s2p3 - s2p2 10p 2 271.75 1054.48 n i s2p3 - s2p2 11p 2 233.31 905.18 n i s2p3 - s2p2 12p 2 203.17 788.18 n i s2p3 - s2p2 13p 2 179.03 694.45 n i s2p3 - p5 1 89029.35 n i s2p3 - p4 3p 1 13120.70 n i s2p3 - p4 4p 1 7264.35 n i s2p3 - p4 5p 1 4812.44 n i s2p3 - p4 6p 1 3496.88 n i s2p3 - p4 7p 1 2691.70 n i s2p3 - p4 8p 1 2155.77 n i s2p3 - p4 9p 1 1777.50 n i s2p3 - p4 10p 1 1498.60 n i s2p3 - p4 11p 1 1285.92 n i s2p3 - p4 12p 1 1119.32 n i s2p3 - p4 13p 1 985.89 n i s2p3 - s2p2 4f 1 141.42 n i s2p3 - s2p2 5f 1 131.63 n i s2p3 - s2p2 6f 1 112.64 n i s2p3 - s2p2 7f 1 95.49 n i s2p3 - s2p2 8f 1 81.49 n i s2p3 - s2p2 9f 1 70.27 n i s2p3 - s2p2 10f 1 61.25 n i s2p3 - s2p2 11f 1 53.92 n i s2p3 - s2p2 12f 1 47.90 n i s2p3 - s2p2 13f 1 42.90 n i s2p3 - sp3 3s 3 4653.22 8405.41 1555.68 n i s2p3 - sp3 4s 3 2360.02 4276.41 790.49 n i s2p3 - sp3 5s 3 1489.37 2701.42 498.93 n i s2p3 - sp3 6s 3 1049.05 1903.84 351.45 n i s2p3 - sp3 7s 3 790.18 1434.58 264.73 n i s2p3 - sp3 8s 3 622.79 1131.04 208.67 n i s2p3 - sp3 9s 3 507.21 921.36 169.95 n i s2p3 - sp3 10s 3 423.44 769.36 141.89 n i s2p3 - sp3 3d 2 -4178.82 -2383.61 n i s2p3 - sp3 4d 2 -3369.83 -1963.99 n i s2p3 - sp3 5d 2 -2645.97 -1557.29 n i s2p3 - sp3 6d 2 -2119.30 -1254.17 n i s2p3 - sp3 7d 2 -1737.74 -1031.92 n i s2p3 - sp3 8d 2 -1454.91 -866.01 n i s2p3 - sp3 9d 2 -1239.79 -739.22 n i s2p3 - sp3 10d 2 -1072.21 -640.13 n i s2p2 3p - s2p2 4p 4 0.00 2277.10 1744.82 1198.30 n i s2p2 3p - s2p2 5p 4 0.00 1480.14 1165.56 806.44 n i s2p2 3p - s2p2 6p 4 0.00 1067.03 850.90 590.94 n i s2p2 3p - s2p2 7p 4 0.00 817.82 656.94 457.23 n i s2p2 3p - s2p2 8p 4 0.00 653.23 527.25 367.47 n i s2p2 3p - s2p2 9p 4 0.00 537.60 435.41 303.75 n i s2p2 3p - s2p2 10p 4 0.00 452.62 367.54 256.57 n i s2p2 3p - s2p2 11p 4 0.00 387.96 315.70 220.49 n i s2p2 3p - s2p2 12p 4 0.00 337.40 275.02 192.15 n i s2p2 3p - s2p2 13p 4 0.00 296.96 242.41 169.41 n i s2p2 3p - p4 3p 1 96815.20 n i s2p2 3p - p4 4p 1 0.00 n i s2p2 3p - p4 5p 1 0.00 n i s2p2 3p - p4 6p 1 0.00 n i s2p2 3p - p4 7p 1 0.00 n i s2p2 3p - p4 8p 1 0.00 n i s2p2 3p - p4 9p 1 0.00 n i s2p2 3p - p4 10p 1 0.00 n i s2p2 3p - p4 11p 1 0.00 n i s2p2 3p - p4 12p 1 0.00 n i s2p2 3p - p4 13p 1 0.00 n i s2p2 3p - s2p2 4f 2 -336.08 -1.19 n i s2p2 3p - s2p2 5f 2 -279.98 -0.85 n i s2p2 3p - s2p2 6f 2 -226.08 -0.61 n i s2p2 3p - s2p2 7f 2 -185.07 -0.45 n i s2p2 3p - s2p2 8f 2 -154.33 -0.35 n i s2p2 3p - s2p2 9f 2 -130.94 -0.28 n i s2p2 3p - s2p2 10f 2 -112.77 -0.23 n i s2p2 3p - s2p2 11f 2 -98.38 -0.19 n i s2p2 3p - s2p2 12f 2 -86.76 -0.16 n i s2p2 3p - s2p2 13f 2 -77.24 -0.14 n i s2p2 3p - sp3 3s 2 11788.15 2879.77 n i s2p2 3p - sp3 4s 2 2993.60 1474.62 n i s2p2 3p - sp3 5s 2 1748.85 934.01 n i s2p2 3p - sp3 6s 2 1188.91 659.11 n i s2p2 3p - sp3 7s 2 877.50 497.00 n i s2p2 3p - sp3 8s 2 682.44 392.00 n i s2p2 3p - sp3 9s 2 550.46 319.40 n i s2p2 3p - sp3 10s 2 456.18 266.74 n i s2p2 3p - sp3 3d 2 4920.94 -173.39 n i s2p2 3p - sp3 4d 2 2712.37 -149.31 n i s2p2 3p - sp3 5d 2 1801.39 -120.72 n i s2p2 3p - sp3 6d 2 1314.39 -98.26 n i s2p2 3p - sp3 7d 2 1016.16 -81.39 n i s2p2 3p - sp3 8d 2 817.16 -68.61 n i s2p2 3p - sp3 9d 2 676.24 -58.75 n i s2p2 3p - sp3 10d 2 571.98 -50.99 n i s2p2 4p - s2p2 5p 4 0.00 912.53 659.75 466.13 n i s2p2 4p - s2p2 6p 4 0.00 657.24 481.85 341.82 n i s2p2 4p - s2p2 7p 4 0.00 503.74 372.11 264.60 n i s2p2 4p - s2p2 8p 4 0.00 402.44 298.70 212.72 n i s2p2 4p - s2p2 9p 4 0.00 331.28 246.70 175.87 n i s2p2 4p - s2p2 10p 4 0.00 278.97 208.26 148.57 n i s2p2 4p - s2p2 11p 4 0.00 239.17 178.90 127.69 n i s2p2 4p - s2p2 12p 4 0.00 208.04 155.85 111.29 n i s2p2 4p - s2p2 13p 4 0.00 183.13 137.37 98.13 n i s2p2 4p - p4 3p 1 0.00 n i s2p2 4p - p4 4p 1 97011.80 n i s2p2 4p - p4 5p 1 0.00 n i s2p2 4p - p4 6p 1 0.00 n i s2p2 4p - p4 7p 1 0.00 n i s2p2 4p - p4 8p 1 0.00 n i s2p2 4p - p4 9p 1 0.00 n i s2p2 4p - p4 10p 1 0.00 n i s2p2 4p - p4 11p 1 0.00 n i s2p2 4p - p4 12p 1 0.00 n i s2p2 4p - p4 13p 1 0.00 n i s2p2 4p - s2p2 4f 2 11.12 -1.67 n i s2p2 4p - s2p2 5f 2 -35.57 -1.41 n i s2p2 4p - s2p2 6f 2 -42.10 -1.14 n i s2p2 4p - s2p2 7f 2 -40.00 -0.93 n i s2p2 4p - s2p2 8f 2 -36.07 -0.77 n i s2p2 4p - s2p2 9f 2 -32.09 -0.66 n i s2p2 4p - s2p2 10f 2 -28.52 -0.56 n i s2p2 4p - s2p2 11f 2 -25.44 -0.49 n i s2p2 4p - s2p2 12f 2 -22.80 -0.43 n i s2p2 4p - s2p2 13f 2 -20.56 -0.38 n i s2p2 4p - sp3 3s 2 5693.41 1635.32 n i s2p2 4p - sp3 4s 2 3481.88 838.92 n i s2p2 4p - sp3 5s 2 1337.87 531.70 n i s2p2 4p - sp3 6s 2 884.21 375.32 n i s2p2 4p - sp3 7s 2 644.74 283.05 n i s2p2 4p - sp3 8s 2 498.28 223.28 n i s2p2 4p - sp3 9s 2 400.44 181.94 n i s2p2 4p - sp3 10s 2 331.09 151.95 n i s2p2 4p - sp3 3d 2 817.58 -84.01 n i s2p2 4p - sp3 4d 2 1614.87 -73.07 n i s2p2 4p - sp3 5d 2 1128.87 -59.32 n i s2p2 4p - sp3 6d 2 842.62 -48.40 n i s2p2 4p - sp3 7d 2 660.02 -40.14 n i s2p2 4p - sp3 8d 2 535.38 -33.87 n i s2p2 4p - sp3 9d 2 445.83 -29.02 n i s2p2 4p - sp3 10d 2 378.88 -25.20 n i s2p2 5p - s2p2 6p 4 0.00 452.93 322.34 230.58 n i s2p2 5p - s2p2 7p 4 0.00 347.03 248.95 178.52 n i s2p2 5p - s2p2 8p 4 0.00 277.25 199.85 143.53 n i s2p2 5p - s2p2 9p 4 0.00 228.26 165.07 118.67 n i s2p2 5p - s2p2 10p 4 0.00 192.24 139.35 100.26 n i s2p2 5p - s2p2 11p 4 0.00 164.84 119.71 86.17 n i s2p2 5p - s2p2 12p 4 0.00 143.40 104.29 75.11 n i s2p2 5p - s2p2 13p 4 0.00 126.25 91.93 66.23 n i s2p2 5p - p4 3p 1 0.00 n i s2p2 5p - p4 4p 1 0.00 n i s2p2 5p - p4 5p 1 97067.04 n i s2p2 5p - p4 6p 1 0.00 n i s2p2 5p - p4 7p 1 0.00 n i s2p2 5p - p4 8p 1 0.00 n i s2p2 5p - p4 9p 1 0.00 n i s2p2 5p - p4 10p 1 0.00 n i s2p2 5p - p4 11p 1 0.00 n i s2p2 5p - p4 12p 1 0.00 n i s2p2 5p - p4 13p 1 0.00 n i s2p2 5p - s2p2 4f 2 -13.20 -1.37 n i s2p2 5p - s2p2 5f 2 -2.54 -1.18 n i s2p2 5p - s2p2 6f 2 -9.91 -0.97 n i s2p2 5p - s2p2 7f 2 -11.92 -0.80 n i s2p2 5p - s2p2 8f 2 -11.92 -0.67 n i s2p2 5p - s2p2 9f 2 -11.24 -0.57 n i s2p2 5p - s2p2 10f 2 -10.36 -0.49 n i s2p2 5p - s2p2 11f 2 -9.47 -0.43 n i s2p2 5p - s2p2 12f 2 -8.64 -0.38 n i s2p2 5p - s2p2 13f 2 -7.89 -0.34 n i s2p2 5p - sp3 3s 2 3635.61 1095.29 n i s2p2 5p - sp3 4s 2 2160.28 562.30 n i s2p2 5p - sp3 5s 2 1461.23 356.47 n i s2p2 5p - sp3 6s 2 699.92 251.66 n i s2p2 5p - sp3 7s 2 500.04 189.80 n i s2p2 5p - sp3 8s 2 382.90 149.73 n i s2p2 5p - sp3 9s 2 306.20 122.01 n i s2p2 5p - sp3 10s 2 252.41 101.90 n i s2p2 5p - sp3 3d 2 511.19 -52.40 n i s2p2 5p - sp3 4d 2 463.93 -45.80 n i s2p2 5p - sp3 5d 2 719.16 -37.26 n i s2p2 5p - sp3 6d 2 556.49 -30.43 n i s2p2 5p - sp3 7d 2 442.73 -25.25 n i s2p2 5p - sp3 8d 2 362.28 -21.32 n i s2p2 5p - sp3 9d 2 303.38 -18.27 n i s2p2 5p - sp3 10d 2 258.85 -15.87 n i s2p2 6p - s2p2 7p 4 0.00 257.00 181.88 130.98 n i s2p2 6p - s2p2 8p 4 0.00 205.28 146.02 105.32 n i s2p2 6p - s2p2 9p 4 0.00 169.01 120.60 87.08 n i s2p2 6p - s2p2 10p 4 0.00 142.35 101.82 73.57 n i s2p2 6p - s2p2 11p 4 0.00 122.07 87.46 63.24 n i s2p2 6p - s2p2 12p 4 0.00 106.20 76.20 55.12 n i s2p2 6p - s2p2 13p 4 0.00 93.50 67.17 48.60 n i s2p2 6p - p4 3p 1 0.00 n i s2p2 6p - p4 4p 1 0.00 n i s2p2 6p - p4 5p 1 0.00 n i s2p2 6p - p4 6p 1 97088.57 n i s2p2 6p - p4 7p 1 0.00 n i s2p2 6p - p4 8p 1 0.00 n i s2p2 6p - p4 9p 1 0.00 n i s2p2 6p - p4 10p 1 0.00 n i s2p2 6p - p4 11p 1 0.00 n i s2p2 6p - p4 12p 1 0.00 n i s2p2 6p - p4 13p 1 0.00 n i s2p2 6p - s2p2 4f 2 -10.24 -1.10 n i s2p2 6p - s2p2 5f 2 -8.90 -0.96 n i s2p2 6p - s2p2 6f 2 -4.03 -0.79 n i s2p2 6p - s2p2 7f 2 -5.10 -0.65 n i s2p2 6p - s2p2 8f 2 -5.42 -0.55 n i s2p2 6p - s2p2 9f 2 -5.30 -0.46 n i s2p2 6p - s2p2 10f 2 -5.01 -0.40 n i s2p2 6p - s2p2 11f 2 -4.66 -0.35 n i s2p2 6p - s2p2 12f 2 -4.31 -0.31 n i s2p2 6p - s2p2 13f 2 -3.97 -0.28 n i s2p2 6p - sp3 3s 2 2598.06 800.68 n i s2p2 6p - sp3 4s 2 1536.47 411.21 n i s2p2 6p - sp3 5s 2 1022.12 260.72 n i s2p2 6p - sp3 6s 2 744.29 184.07 n i s2p2 6p - sp3 7s 2 409.17 138.84 n i s2p2 6p - sp3 8s 2 308.33 109.52 n i s2p2 6p - sp3 9s 2 244.73 89.25 n i s2p2 6p - sp3 10s 2 200.90 74.54 n i s2p2 6p - sp3 3d 2 354.54 -36.85 n i s2p2 6p - sp3 4d 2 325.04 -32.29 n i s2p2 6p - sp3 5d 2 274.65 -26.30 n i s2p2 6p - sp3 6d 2 380.26 -21.50 n i s2p2 6p - sp3 7d 2 311.40 -17.85 n i s2p2 6p - sp3 8d 2 258.02 -15.07 n i s2p2 6p - sp3 9d 2 217.60 -12.92 n i s2p2 6p - sp3 10d 2 186.50 -11.22 n i s2p2 7p - s2p2 8p 4 0.00 159.70 112.78 81.55 n i s2p2 7p - s2p2 9p 4 0.00 131.46 93.16 67.43 n i s2p2 7p - s2p2 10p 4 0.00 110.73 78.65 56.98 n i s2p2 7p - s2p2 11p 4 0.00 94.95 67.56 48.97 n i s2p2 7p - s2p2 12p 4 0.00 82.61 58.86 42.68 n i s2p2 7p - s2p2 13p 4 0.00 72.74 51.88 37.64 n i s2p2 7p - p4 3p 1 0.00 n i s2p2 7p - p4 4p 1 0.00 n i s2p2 7p - p4 5p 1 0.00 n i s2p2 7p - p4 6p 1 0.00 n i s2p2 7p - p4 7p 1 97098.68 n i s2p2 7p - p4 8p 1 0.00 n i s2p2 7p - p4 9p 1 0.00 n i s2p2 7p - p4 10p 1 0.00 n i s2p2 7p - p4 11p 1 0.00 n i s2p2 7p - p4 12p 1 0.00 n i s2p2 7p - p4 13p 1 0.00 n i s2p2 7p - s2p2 4f 2 -7.95 -0.89 n i s2p2 7p - s2p2 5f 2 -7.22 -0.78 n i s2p2 7p - s2p2 6f 2 -5.83 -0.64 n i s2p2 7p - s2p2 7f 2 -3.43 -0.53 n i s2p2 7p - s2p2 8f 2 -3.34 -0.45 n i s2p2 7p - s2p2 9f 2 -3.22 -0.38 n i s2p2 7p - s2p2 10f 2 -3.05 -0.33 n i s2p2 7p - s2p2 11f 2 -2.85 -0.29 n i s2p2 7p - s2p2 12f 2 -2.64 -0.25 n i s2p2 7p - s2p2 13f 2 -2.44 -0.23 n i s2p2 7p - sp3 3s 2 1981.00 618.66 n i s2p2 7p - sp3 4s 2 1170.14 317.80 n i s2p2 7p - sp3 5s 2 776.63 201.51 n i s2p2 7p - sp3 6s 2 559.05 142.27 n i s2p2 7p - sp3 7s 2 428.81 107.31 n i s2p2 7p - sp3 8s 2 259.06 84.65 n i s2p2 7p - sp3 9s 2 202.92 68.98 n i s2p2 7p - sp3 10s 2 165.54 57.62 n i s2p2 7p - sp3 3d 2 264.80 -27.81 n i s2p2 7p - sp3 4d 2 241.47 -24.41 n i s2p2 7p - sp3 5d 2 206.28 -19.90 n i s2p2 7p - sp3 6d 2 173.46 -16.27 n i s2p2 7p - sp3 7d 2 224.75 -13.51 n i s2p2 7p - sp3 8d 2 190.81 -11.41 n i s2p2 7p - sp3 9d 2 162.65 -9.78 n i s2p2 7p - sp3 10d 2 140.24 -8.50 n i s2p2 8p - s2p2 9p 4 0.00 105.98 74.79 54.23 n i s2p2 8p - s2p2 10p 4 0.00 89.26 63.14 45.82 n i s2p2 8p - s2p2 11p 4 0.00 76.54 54.24 39.38 n i s2p2 8p - s2p2 12p 4 0.00 66.60 47.25 34.32 n i s2p2 8p - s2p2 13p 4 0.00 58.64 41.65 30.27 n i s2p2 8p - p4 3p 1 0.00 n i s2p2 8p - p4 4p 1 0.00 n i s2p2 8p - p4 5p 1 0.00 n i s2p2 8p - p4 6p 1 0.00 n i s2p2 8p - p4 7p 1 0.00 n i s2p2 8p - p4 8p 1 97104.05 n i s2p2 8p - p4 9p 1 0.00 n i s2p2 8p - p4 10p 1 0.00 n i s2p2 8p - p4 11p 1 0.00 n i s2p2 8p - p4 12p 1 0.00 n i s2p2 8p - p4 13p 1 0.00 n i s2p2 8p - s2p2 4f 2 -6.35 -0.74 n i s2p2 8p - s2p2 5f 2 -5.85 -0.65 n i s2p2 8p - s2p2 6f 2 -4.87 -0.53 n i s2p2 8p - s2p2 7f 2 -3.94 -0.44 n i s2p2 8p - s2p2 8f 2 -2.65 -0.37 n i s2p2 8p - s2p2 9f 2 -2.38 -0.32 n i s2p2 8p - s2p2 10f 2 -2.19 -0.27 n i s2p2 8p - s2p2 11f 2 -2.02 -0.24 n i s2p2 8p - s2p2 12f 2 -1.87 -0.21 n i s2p2 8p - s2p2 13f 2 -1.72 -0.19 n i s2p2 8p - sp3 3s 2 1576.90 496.78 n i s2p2 8p - sp3 4s 2 931.28 255.23 n i s2p2 8p - sp3 5s 2 617.81 161.84 n i s2p2 8p - sp3 6s 2 444.13 114.27 n i s2p2 8p - sp3 7s 2 337.70 86.19 n i s2p2 8p - sp3 8s 2 269.03 67.99 n i s2p2 8p - sp3 9s 2 174.08 55.41 n i s2p2 8p - sp3 10s 2 140.43 46.28 n i s2p2 8p - sp3 3d 2 207.65 -21.98 n i s2p2 8p - sp3 4d 2 188.68 -19.32 n i s2p2 8p - sp3 5d 2 160.62 -15.75 n i s2p2 8p - sp3 6d 2 136.56 -12.88 n i s2p2 8p - sp3 7d 2 115.83 -10.70 n i s2p2 8p - sp3 8d 2 143.65 -9.04 n i s2p2 8p - sp3 9d 2 125.05 -7.75 n i s2p2 8p - sp3 10d 2 108.83 -6.73 n i s2p2 9p - s2p2 10p 4 0.00 73.92 52.15 37.89 n i s2p2 9p - s2p2 11p 4 0.00 63.38 44.80 32.56 n i s2p2 9p - s2p2 12p 4 0.00 55.15 39.03 28.38 n i s2p2 9p - s2p2 13p 4 0.00 48.56 34.41 25.03 n i s2p2 9p - p4 3p 1 0.00 n i s2p2 9p - p4 4p 1 0.00 n i s2p2 9p - p4 5p 1 0.00 n i s2p2 9p - p4 6p 1 0.00 n i s2p2 9p - p4 7p 1 0.00 n i s2p2 9p - p4 8p 1 0.00 n i s2p2 9p - p4 9p 1 97107.17 n i s2p2 9p - p4 10p 1 0.00 n i s2p2 9p - p4 11p 1 0.00 n i s2p2 9p - p4 12p 1 0.00 n i s2p2 9p - p4 13p 1 0.00 n i s2p2 9p - s2p2 4f 2 -5.20 -0.62 n i s2p2 9p - s2p2 5f 2 -4.83 -0.55 n i s2p2 9p - s2p2 6f 2 -4.06 -0.45 n i s2p2 9p - s2p2 7f 2 -3.36 -0.37 n i s2p2 9p - s2p2 8f 2 -2.75 -0.31 n i s2p2 9p - s2p2 9f 2 -2.01 -0.27 n i s2p2 9p - s2p2 10f 2 -1.76 -0.23 n i s2p2 9p - s2p2 11f 2 -1.59 -0.20 n i s2p2 9p - s2p2 12f 2 -1.45 -0.18 n i s2p2 9p - s2p2 13f 2 -1.33 -0.16 n i s2p2 9p - sp3 3s 2 1294.60 410.40 n i s2p2 9p - sp3 4s 2 764.72 210.87 n i s2p2 9p - sp3 5s 2 507.32 133.72 n i s2p2 9p - sp3 6s 2 364.64 94.41 n i s2p2 9p - sp3 7s 2 277.03 71.21 n i s2p2 9p - sp3 8s 2 219.16 56.18 n i s2p2 9p - sp3 9s 2 179.67 45.78 n i s2p2 9p - sp3 10s 2 122.49 38.24 n i s2p2 9p - sp3 3d 2 168.53 -17.96 n i s2p2 9p - sp3 4d 2 152.81 -15.80 n i s2p2 9p - sp3 5d 2 129.72 -12.89 n i s2p2 9p - sp3 6d 2 110.04 -10.54 n i s2p2 9p - sp3 7d 2 94.34 -8.76 n i s2p2 9p - sp3 8d 2 80.93 -7.40 n i s2p2 9p - sp3 9d 2 97.29 -6.34 n i s2p2 9p - sp3 10d 2 86.27 -5.51 n i s2p2 10p - s2p2 11p 4 0.00 53.60 37.82 27.51 n i s2p2 10p - s2p2 12p 4 0.00 46.63 32.95 23.98 n i s2p2 10p - s2p2 13p 4 0.00 41.06 29.05 21.15 n i s2p2 10p - p4 3p 1 0.00 n i s2p2 10p - p4 4p 1 0.00 n i s2p2 10p - p4 5p 1 0.00 n i s2p2 10p - p4 6p 1 0.00 n i s2p2 10p - p4 7p 1 0.00 n i s2p2 10p - p4 8p 1 0.00 n i s2p2 10p - p4 9p 1 0.00 n i s2p2 10p - p4 10p 1 97109.10 n i s2p2 10p - p4 11p 1 0.00 n i s2p2 10p - p4 12p 1 0.00 n i s2p2 10p - p4 13p 1 0.00 n i s2p2 10p - s2p2 4f 2 -4.35 -0.53 n i s2p2 10p - s2p2 5f 2 -4.06 -0.47 n i s2p2 10p - s2p2 6f 2 -3.43 -0.39 n i s2p2 10p - s2p2 7f 2 -2.86 -0.32 n i s2p2 10p - s2p2 8f 2 -2.38 -0.27 n i s2p2 10p - s2p2 9f 2 -1.99 -0.23 n i s2p2 10p - s2p2 10f 2 -1.54 -0.20 n i s2p2 10p - s2p2 11f 2 -1.34 -0.17 n i s2p2 10p - s2p2 12f 2 -1.21 -0.15 n i s2p2 10p - s2p2 13f 2 -1.09 -0.14 n i s2p2 10p - sp3 3s 2 1087.95 346.52 n i s2p2 10p - sp3 4s 2 642.88 178.05 n i s2p2 10p - sp3 5s 2 426.57 112.91 n i s2p2 10p - sp3 6s 2 306.64 79.73 n i s2p2 10p - sp3 7s 2 232.96 60.14 n i s2p2 10p - sp3 8s 2 184.19 47.44 n i s2p2 10p - sp3 9s 2 150.12 38.66 n i s2p2 10p - sp3 10s 2 125.85 32.29 n i s2p2 10p - sp3 3d 2 140.33 -15.05 n i s2p2 10p - sp3 4d 2 127.07 -13.24 n i s2p2 10p - sp3 5d 2 107.68 -10.80 n i s2p2 10p - sp3 6d 2 91.15 -8.84 n i s2p2 10p - sp3 7d 2 78.03 -7.34 n i s2p2 10p - sp3 8d 2 67.63 -6.20 n i s2p2 10p - sp3 9d 2 58.67 -5.32 n i s2p2 10p - sp3 10d 2 68.91 -4.62 n i s2p2 11p - s2p2 12p 4 0.00 40.10 28.31 20.61 n i s2p2 11p - s2p2 13p 4 0.00 35.31 24.95 18.18 n i s2p2 11p - p4 3p 1 0.00 n i s2p2 11p - p4 4p 1 0.00 n i s2p2 11p - p4 5p 1 0.00 n i s2p2 11p - p4 6p 1 0.00 n i s2p2 11p - p4 7p 1 0.00 n i s2p2 11p - p4 8p 1 0.00 n i s2p2 11p - p4 9p 1 0.00 n i s2p2 11p - p4 10p 1 0.00 n i s2p2 11p - p4 11p 1 97110.36 n i s2p2 11p - p4 12p 1 0.00 n i s2p2 11p - p4 13p 1 0.00 n i s2p2 11p - s2p2 4f 2 -3.70 -0.46 n i s2p2 11p - s2p2 5f 2 -3.46 -0.41 n i s2p2 11p - s2p2 6f 2 -2.94 -0.34 n i s2p2 11p - s2p2 7f 2 -2.46 -0.28 n i s2p2 11p - s2p2 8f 2 -2.07 -0.24 n i s2p2 11p - s2p2 9f 2 -1.74 -0.20 n i s2p2 11p - s2p2 10f 2 -1.48 -0.17 n i s2p2 11p - s2p2 11f 2 -1.19 -0.15 n i s2p2 11p - s2p2 12f 2 -1.04 -0.13 n i s2p2 11p - s2p2 13f 2 -0.94 -0.12 n i s2p2 11p - sp3 3s 2 931.18 297.69 n i s2p2 11p - sp3 4s 2 550.47 152.97 n i s2p2 11p - sp3 5s 2 365.35 97.01 n i s2p2 11p - sp3 6s 2 262.67 68.50 n i s2p2 11p - sp3 7s 2 199.59 51.67 n i s2p2 11p - sp3 8s 2 157.82 40.76 n i s2p2 11p - sp3 9s 2 128.58 33.21 n i s2p2 11p - sp3 10s 2 107.26 27.74 n i s2p2 11p - sp3 3d 2 119.19 -12.85 n i s2p2 11p - sp3 4d 2 107.85 -11.31 n i s2p2 11p - sp3 5d 2 91.27 -9.23 n i s2p2 11p - sp3 6d 2 77.15 -7.55 n i s2p2 11p - sp3 7d 2 65.94 -6.27 n i s2p2 11p - sp3 8d 2 57.10 -5.30 n i s2p2 11p - sp3 9d 2 50.02 -4.55 n i s2p2 11p - sp3 10d 2 43.85 -3.95 n i s2p2 12p - s2p2 13p 4 0.00 30.79 21.74 15.84 n i s2p2 12p - p4 3p 1 0.00 n i s2p2 12p - p4 4p 1 0.00 n i s2p2 12p - p4 5p 1 0.00 n i s2p2 12p - p4 6p 1 0.00 n i s2p2 12p - p4 7p 1 0.00 n i s2p2 12p - p4 8p 1 0.00 n i s2p2 12p - p4 9p 1 0.00 n i s2p2 12p - p4 10p 1 0.00 n i s2p2 12p - p4 11p 1 0.00 n i s2p2 12p - p4 12p 1 97111.22 n i s2p2 12p - p4 13p 1 0.00 n i s2p2 12p - s2p2 4f 2 -3.20 -0.41 n i s2p2 12p - s2p2 5f 2 -3.00 -0.36 n i s2p2 12p - s2p2 6f 2 -2.55 -0.30 n i s2p2 12p - s2p2 7f 2 -2.14 -0.25 n i s2p2 12p - s2p2 8f 2 -1.80 -0.21 n i s2p2 12p - s2p2 9f 2 -1.53 -0.18 n i s2p2 12p - s2p2 10f 2 -1.31 -0.15 n i s2p2 12p - s2p2 11f 2 -1.13 -0.13 n i s2p2 12p - s2p2 12f 2 -0.93 -0.12 n i s2p2 12p - s2p2 13f 2 -0.82 -0.11 n i s2p2 12p - sp3 3s 2 808.86 259.37 n i s2p2 12p - sp3 4s 2 478.37 133.29 n i s2p2 12p - sp3 5s 2 317.58 84.53 n i s2p2 12p - sp3 6s 2 228.38 59.68 n i s2p2 12p - sp3 7s 2 173.56 45.02 n i s2p2 12p - sp3 8s 2 137.26 35.51 n i s2p2 12p - sp3 9s 2 111.84 28.94 n i s2p2 12p - sp3 10s 2 93.27 24.17 n i s2p2 12p - sp3 3d 2 102.87 -11.14 n i s2p2 12p - sp3 4d 2 93.03 -9.81 n i s2p2 12p - sp3 5d 2 78.67 -8.01 n i s2p2 12p - sp3 6d 2 66.42 -6.55 n i s2p2 12p - sp3 7d 2 56.70 -5.44 n i s2p2 12p - sp3 8d 2 49.04 -4.60 n i s2p2 12p - sp3 9d 2 42.94 -3.94 n i s2p2 12p - sp3 10d 2 37.99 -3.43 n i s2p2 13p - p4 3p 1 0.00 n i s2p2 13p - p4 4p 1 0.00 n i s2p2 13p - p4 5p 1 0.00 n i s2p2 13p - p4 6p 1 0.00 n i s2p2 13p - p4 7p 1 0.00 n i s2p2 13p - p4 8p 1 0.00 n i s2p2 13p - p4 9p 1 0.00 n i s2p2 13p - p4 10p 1 0.00 n i s2p2 13p - p4 11p 1 0.00 n i s2p2 13p - p4 12p 1 0.00 n i s2p2 13p - p4 13p 1 97111.83 n i s2p2 13p - s2p2 4f 2 -2.79 -0.36 n i s2p2 13p - s2p2 5f 2 -2.62 -0.32 n i s2p2 13p - s2p2 6f 2 -2.24 -0.26 n i s2p2 13p - s2p2 7f 2 -1.88 -0.22 n i s2p2 13p - s2p2 8f 2 -1.59 -0.18 n i s2p2 13p - s2p2 9f 2 -1.35 -0.16 n i s2p2 13p - s2p2 10f 2 -1.16 -0.14 n i s2p2 13p - s2p2 11f 2 -1.01 -0.12 n i s2p2 13p - s2p2 12f 2 -0.88 -0.10 n i s2p2 13p - s2p2 13f 2 -0.74 -0.09 n i s2p2 13p - sp3 3s 2 711.22 228.64 n i s2p2 13p - sp3 4s 2 420.81 117.50 n i s2p2 13p - sp3 5s 2 279.44 74.52 n i s2p2 13p - sp3 6s 2 200.99 52.61 n i s2p2 13p - sp3 7s 2 152.77 39.69 n i s2p2 13p - sp3 8s 2 120.84 31.31 n i s2p2 13p - sp3 9s 2 98.48 25.51 n i s2p2 13p - sp3 10s 2 82.14 21.31 n i s2p2 13p - sp3 3d 2 89.94 -9.78 n i s2p2 13p - sp3 4d 2 81.31 -8.62 n i s2p2 13p - sp3 5d 2 68.72 -7.04 n i s2p2 13p - sp3 6d 2 57.98 -5.76 n i s2p2 13p - sp3 7d 2 49.45 -4.78 n i s2p2 13p - sp3 8d 2 42.73 -4.04 n i s2p2 13p - sp3 9d 2 37.38 -3.47 n i s2p2 13p - sp3 10d 2 33.06 -3.01 n i p5 - p4 3p 2 2383.84 9451.96 n i p5 - p4 4p 2 1330.84 5260.06 n i p5 - p4 5p 2 884.79 3492.75 n i p5 - p4 6p 2 644.14 2541.16 n i p5 - p4 7p 2 496.40 1957.56 n i p5 - p4 8p 2 397.87 1568.62 n i p5 - p4 9p 2 328.24 1293.85 n i p5 - p4 10p 2 276.85 1091.14 n i p5 - p4 11p 2 237.64 936.48 n i p5 - p4 12p 2 206.90 815.28 n i p5 - p4 13p 2 182.27 718.19 n i p5 - p4 4f 1 140.90 n i p5 - p4 5f 1 131.64 n i p5 - p4 6f 1 112.92 n i p5 - p4 7f 1 95.88 n i p5 - p4 8f 1 81.93 n i p5 - p4 9f 1 70.72 n i p5 - p4 10f 1 61.69 n i p5 - p4 11f 1 54.35 n i p5 - p4 12f 1 48.30 n i p5 - p4 13f 1 43.28 n i p5 - sp3 3s 1 8434.43 n i p5 - sp3 4s 1 4272.95 n i p5 - sp3 5s 1 2696.26 n i p5 - sp3 6s 1 1899.31 n i p5 - sp3 7s 1 1430.81 n i p5 - sp3 8s 1 1127.89 n i p5 - sp3 9s 1 918.69 n i p5 - sp3 10s 1 767.07 n i p5 - sp3 3d 1 -4082.53 n i p5 - sp3 4d 1 -3296.37 n i p5 - sp3 5d 1 -2589.77 n i p5 - sp3 6d 1 -2074.94 n i p5 - sp3 7d 1 -1701.70 n i p5 - sp3 8d 1 -1424.94 n i p5 - sp3 9d 1 -1214.36 n i p5 - sp3 10d 1 -1050.30 n i p4 3p - p4 4p 4 0.00 2324.64 1779.03 1226.25 n i p4 3p - p4 5p 4 0.00 1511.27 1189.74 826.02 n i p4 3p - p4 6p 4 0.00 1089.19 868.83 605.43 n i p4 3p - p4 7p 4 0.00 834.49 670.79 468.42 n i p4 3p - p4 8p 4 0.00 666.27 538.30 376.41 n i p4 3p - p4 9p 4 0.00 548.12 444.46 311.08 n i p4 3p - p4 10p 4 0.00 461.31 375.10 262.71 n i p4 3p - p4 11p 4 0.00 395.27 322.12 225.71 n i p4 3p - p4 12p 4 0.00 343.64 280.56 196.65 n i p4 3p - p4 13p 4 0.00 302.36 247.23 173.34 n i p4 3p - p4 4f 2 -342.39 -1.30 n i p4 3p - p4 5f 2 -285.47 -0.93 n i p4 3p - p4 6f 2 -230.65 -0.67 n i p4 3p - p4 7f 2 -188.90 -0.50 n i p4 3p - p4 8f 2 -157.59 -0.39 n i p4 3p - p4 9f 2 -133.75 -0.31 n i p4 3p - p4 10f 2 -115.23 -0.25 n i p4 3p - p4 11f 2 -100.54 -0.21 n i p4 3p - p4 12f 2 -88.69 -0.18 n i p4 3p - p4 13f 2 -78.97 -0.16 n i p4 3p - sp3 3s 2 11777.01 2373.69 n i p4 3p - sp3 4s 2 3010.81 1212.44 n i p4 3p - sp3 5s 2 1760.03 767.85 n i p4 3p - sp3 6s 2 1196.92 541.89 n i p4 3p - sp3 7s 2 883.60 408.64 n i p4 3p - sp3 8s 2 687.28 322.32 n i p4 3p - sp3 9s 2 554.43 262.64 n i p4 3p - sp3 10s 2 459.51 219.34 n i p4 3p - sp3 3d 2 4873.37 -366.19 n i p4 3p - sp3 4d 2 2684.07 -305.35 n i p4 3p - sp3 5d 2 1781.60 -243.42 n i p4 3p - sp3 6d 2 1299.45 -196.63 n i p4 3p - sp3 7d 2 1004.34 -162.08 n i p4 3p - sp3 8d 2 807.50 -136.19 n i p4 3p - sp3 9d 2 668.15 -116.36 n i p4 3p - sp3 10d 2 565.07 -100.83 n i p4 4p - p4 5p 4 0.00 934.08 675.77 478.91 n i p4 4p - p4 6p 4 0.00 672.68 493.70 351.28 n i p4 4p - p4 7p 4 0.00 515.44 381.26 271.90 n i p4 4p - p4 8p 4 0.00 411.65 306.01 218.56 n i p4 4p - p4 9p 4 0.00 338.75 252.69 180.66 n i p4 4p - p4 10p 4 0.00 285.17 213.27 152.59 n i p4 4p - p4 11p 4 0.00 244.41 183.16 131.11 n i p4 4p - p4 12p 4 0.00 212.54 159.53 114.24 n i p4 4p - p4 13p 4 0.00 187.05 140.59 100.71 n i p4 4p - p4 4f 2 11.81 -1.75 n i p4 4p - p4 5f 2 -35.93 -1.48 n i p4 4p - p4 6f 2 -42.73 -1.20 n i p4 4p - p4 7f 2 -40.68 -0.98 n i p4 4p - p4 8f 2 -36.73 -0.81 n i p4 4p - p4 9f 2 -32.71 -0.69 n i p4 4p - p4 10f 2 -29.09 -0.59 n i p4 4p - p4 11f 2 -25.96 -0.52 n i p4 4p - p4 12f 2 -23.28 -0.45 n i p4 4p - p4 13f 2 -21.00 -0.40 n i p4 4p - sp3 3s 2 5699.85 1384.47 n i p4 4p - sp3 4s 2 3487.52 709.00 n i p4 4p - sp3 5s 2 1348.50 449.41 n i p4 4p - sp3 6s 2 891.67 317.30 n i p4 4p - sp3 7s 2 650.39 239.33 n i p4 4p - sp3 8s 2 502.74 188.80 n i p4 4p - sp3 9s 2 404.09 153.86 n i p4 4p - sp3 10s 2 334.14 128.50 n i p4 4p - sp3 3d 2 798.49 -189.72 n i p4 4p - sp3 4d 2 1594.69 -158.82 n i p4 4p - sp3 5d 2 1115.33 -126.84 n i p4 4p - sp3 6d 2 832.57 -102.55 n i p4 4p - sp3 7d 2 652.15 -84.59 n i p4 4p - sp3 8d 2 528.98 -71.11 n i p4 4p - sp3 9d 2 440.49 -60.77 n i p4 4p - sp3 10d 2 374.33 -52.67 n i p4 5p - p4 6p 4 0.00 463.93 330.61 237.17 n i p4 5p - p4 7p 4 0.00 355.39 255.34 183.61 n i p4 5p - p4 8p 4 0.00 283.86 204.95 147.60 n i p4 5p - p4 9p 4 0.00 233.62 169.25 122.02 n i p4 5p - p4 10p 4 0.00 196.71 142.86 103.07 n i p4 5p - p4 11p 4 0.00 168.62 122.69 88.56 n i p4 5p - p4 12p 4 0.00 146.65 106.86 77.17 n i p4 5p - p4 13p 4 0.00 129.08 94.18 68.03 n i p4 5p - p4 4f 2 -13.18 -1.44 n i p4 5p - p4 5f 2 -2.32 -1.24 n i p4 5p - p4 6f 2 -9.88 -1.02 n i p4 5p - p4 7f 2 -11.99 -0.84 n i p4 5p - p4 8f 2 -12.04 -0.70 n i p4 5p - p4 9f 2 -11.37 -0.60 n i p4 5p - p4 10f 2 -10.50 -0.52 n i p4 5p - p4 11f 2 -9.61 -0.45 n i p4 5p - p4 12f 2 -8.77 -0.40 n i p4 5p - p4 13f 2 -8.02 -0.35 n i p4 5p - sp3 3s 2 3640.68 936.46 n i p4 5p - sp3 4s 2 2164.73 480.08 n i p4 5p - sp3 5s 2 1466.37 304.42 n i p4 5p - sp3 6s 2 706.37 214.96 n i p4 5p - sp3 7s 2 504.81 162.16 n i p4 5p - sp3 8s 2 386.65 127.93 n i p4 5p - sp3 9s 2 309.26 104.26 n i p4 5p - sp3 10s 2 254.96 87.08 n i p4 5p - sp3 3d 2 497.65 -122.12 n i p4 5p - sp3 4d 2 451.77 -102.40 n i p4 5p - sp3 5d 2 707.91 -81.84 n i p4 5p - sp3 6d 2 548.44 -66.20 n i p4 5p - sp3 7d 2 436.52 -54.62 n i p4 5p - sp3 8d 2 357.27 -45.92 n i p4 5p - sp3 9d 2 299.23 -39.25 n i p4 5p - sp3 10d 2 255.33 -34.02 n i p4 6p - p4 7p 4 0.00 263.23 186.61 134.75 n i p4 6p - p4 8p 4 0.00 210.21 149.79 108.33 n i p4 6p - p4 9p 4 0.00 173.02 123.70 89.56 n i p4 6p - p4 10p 4 0.00 145.69 104.41 75.65 n i p4 6p - p4 11p 4 0.00 124.90 89.67 65.00 n i p4 6p - p4 12p 4 0.00 108.64 78.10 56.65 n i p4 6p - p4 13p 4 0.00 95.63 68.83 49.94 n i p4 6p - p4 4f 2 -10.20 -1.15 n i p4 6p - p4 5f 2 -8.88 -1.00 n i p4 6p - p4 6f 2 -3.94 -0.82 n i p4 6p - p4 7f 2 -5.06 -0.68 n i p4 6p - p4 8f 2 -5.41 -0.57 n i p4 6p - p4 9f 2 -5.32 -0.49 n i p4 6p - p4 10f 2 -5.04 -0.42 n i p4 6p - p4 11f 2 -4.70 -0.37 n i p4 6p - p4 12f 2 -4.35 -0.32 n i p4 6p - p4 13f 2 -4.02 -0.29 n i p4 6p - sp3 3s 2 2601.02 687.79 n i p4 6p - sp3 4s 2 1539.59 352.79 n i p4 6p - sp3 5s 2 1025.49 223.75 n i p4 6p - sp3 6s 2 747.92 158.01 n i p4 6p - sp3 7s 2 413.25 119.20 n i p4 6p - sp3 8s 2 311.47 94.05 n i p4 6p - sp3 9s 2 247.27 76.64 n i p4 6p - sp3 10s 2 203.02 64.02 n i p4 6p - sp3 3d 2 343.98 -87.38 n i p4 6p - sp3 4d 2 315.96 -73.34 n i p4 6p - sp3 5d 2 266.86 -58.64 n i p4 6p - sp3 6d 2 373.22 -47.44 n i p4 6p - sp3 7d 2 306.11 -39.15 n i p4 6p - sp3 8d 2 253.81 -32.92 n i p4 6p - sp3 9d 2 214.12 -28.14 n i p4 6p - sp3 10d 2 183.56 -24.39 n i p4 7p - p4 8p 4 0.00 163.53 115.70 83.88 n i p4 7p - p4 9p 4 0.00 134.58 95.55 69.35 n i p4 7p - p4 10p 4 0.00 113.33 80.65 58.58 n i p4 7p - p4 11p 4 0.00 97.16 69.26 50.34 n i p4 7p - p4 12p 4 0.00 84.51 60.33 43.86 n i p4 7p - p4 13p 4 0.00 74.40 53.17 38.67 n i p4 7p - p4 4f 2 -7.89 -0.94 n i p4 7p - p4 5f 2 -7.19 -0.82 n i p4 7p - p4 6f 2 -5.82 -0.67 n i p4 7p - p4 7f 2 -3.39 -0.56 n i p4 7p - p4 8f 2 -3.31 -0.47 n i p4 7p - p4 9f 2 -3.21 -0.40 n i p4 7p - p4 10f 2 -3.05 -0.35 n i p4 7p - p4 11f 2 -2.85 -0.30 n i p4 7p - p4 12f 2 -2.65 -0.27 n i p4 7p - p4 13f 2 -2.46 -0.24 n i p4 7p - sp3 3s 2 1982.46 532.79 n i p4 7p - sp3 4s 2 1172.27 273.38 n i p4 7p - sp3 5s 2 779.04 173.40 n i p4 7p - sp3 6s 2 561.48 122.46 n i p4 7p - sp3 7s 2 431.34 92.39 n i p4 7p - sp3 8s 2 261.77 72.89 n i p4 7p - sp3 9s 2 205.07 59.40 n i p4 7p - sp3 10s 2 167.32 49.62 n i p4 7p - sp3 3d 2 256.20 -66.63 n i p4 7p - sp3 4d 2 234.18 -55.96 n i p4 7p - sp3 5d 2 200.26 -44.76 n i p4 7p - sp3 6d 2 168.25 -36.21 n i p4 7p - sp3 7d 2 220.04 -29.89 n i p4 7p - sp3 8d 2 187.13 -25.13 n i p4 7p - sp3 9d 2 159.64 -21.48 n i p4 7p - sp3 10d 2 137.71 -18.62 n i p4 8p - p4 9p 4 0.00 108.48 76.70 55.75 n i p4 8p - p4 10p 4 0.00 91.34 64.74 47.10 n i p4 8p - p4 11p 4 0.00 78.31 55.60 40.47 n i p4 8p - p4 12p 4 0.00 68.12 48.43 35.27 n i p4 8p - p4 13p 4 0.00 59.97 42.68 31.09 n i p4 8p - p4 4f 2 -6.28 -0.77 n i p4 8p - p4 5f 2 -5.81 -0.68 n i p4 8p - p4 6f 2 -4.85 -0.56 n i p4 8p - p4 7f 2 -3.92 -0.46 n i p4 8p - p4 8f 2 -2.62 -0.39 n i p4 8p - p4 9f 2 -2.36 -0.33 n i p4 8p - p4 10f 2 -2.18 -0.29 n i p4 8p - p4 11f 2 -2.02 -0.25 n i p4 8p - p4 12f 2 -1.87 -0.22 n i p4 8p - p4 13f 2 -1.73 -0.20 n i p4 8p - sp3 3s 2 1577.37 428.47 n i p4 8p - sp3 4s 2 932.73 219.90 n i p4 8p - sp3 5s 2 619.59 139.49 n i p4 8p - sp3 6s 2 445.93 98.52 n i p4 8p - sp3 7s 2 339.46 74.32 n i p4 8p - sp3 8s 2 270.83 58.64 n i p4 8p - sp3 9s 2 175.96 47.79 n i p4 8p - sp3 10s 2 141.95 39.92 n i p4 8p - sp3 3d 2 200.43 -53.04 n i p4 8p - sp3 4d 2 182.62 -44.56 n i p4 8p - sp3 5d 2 155.66 -35.64 n i p4 8p - sp3 6d 2 132.42 -28.85 n i p4 8p - sp3 7d 2 112.19 -23.81 n i p4 8p - sp3 8d 2 140.33 -20.02 n i p4 8p - sp3 9d 2 122.38 -17.11 n i p4 8p - sp3 10d 2 106.60 -14.83 n i p4 9p - p4 10p 4 0.00 75.63 53.46 38.94 n i p4 9p - p4 11p 4 0.00 64.83 45.92 33.46 n i p4 9p - p4 12p 4 0.00 56.40 39.99 29.16 n i p4 9p - p4 13p 4 0.00 49.65 35.25 25.70 n i p4 9p - p4 4f 2 -5.13 -0.65 n i p4 9p - p4 5f 2 -4.78 -0.57 n i p4 9p - p4 6f 2 -4.04 -0.47 n i p4 9p - p4 7f 2 -3.34 -0.39 n i p4 9p - p4 8f 2 -2.74 -0.33 n i p4 9p - p4 9f 2 -2.00 -0.28 n i p4 9p - p4 10f 2 -1.75 -0.24 n i p4 9p - p4 11f 2 -1.59 -0.21 n i p4 9p - p4 12f 2 -1.45 -0.19 n i p4 9p - p4 13f 2 -1.33 -0.17 n i p4 9p - sp3 3s 2 1294.44 354.29 n i p4 9p - sp3 4s 2 765.70 181.85 n i p4 9p - sp3 5s 2 508.67 115.36 n i p4 9p - sp3 6s 2 366.03 81.48 n i p4 9p - sp3 7s 2 278.38 61.47 n i p4 9p - sp3 8s 2 220.46 48.50 n i p4 9p - sp3 9s 2 180.98 39.53 n i p4 9p - sp3 10s 2 123.83 33.02 n i p4 9p - sp3 3d 2 162.35 -43.55 n i p4 9p - sp3 4d 2 147.63 -36.60 n i p4 9p - sp3 5d 2 125.52 -29.28 n i p4 9p - sp3 6d 2 106.56 -23.69 n i p4 9p - sp3 7d 2 91.38 -19.55 n i p4 9p - sp3 8d 2 78.29 -16.44 n i p4 9p - sp3 9d 2 94.88 -14.06 n i p4 9p - sp3 10d 2 84.27 -12.19 n i p4 10p - p4 11p 4 0.00 54.82 38.76 28.26 n i p4 10p - p4 12p 4 0.00 47.68 33.76 24.63 n i p4 10p - p4 13p 4 0.00 41.97 29.75 21.71 n i p4 10p - p4 4f 2 -4.28 -0.56 n i p4 10p - p4 5f 2 -4.01 -0.49 n i p4 10p - p4 6f 2 -3.40 -0.41 n i p4 10p - p4 7f 2 -2.84 -0.34 n i p4 10p - p4 8f 2 -2.37 -0.28 n i p4 10p - p4 9f 2 -1.98 -0.24 n i p4 10p - p4 10f 2 -1.53 -0.21 n i p4 10p - p4 11f 2 -1.33 -0.18 n i p4 10p - p4 12f 2 -1.20 -0.16 n i p4 10p - p4 13f 2 -1.09 -0.14 n i p4 10p - sp3 3s 2 1087.37 299.31 n i p4 10p - sp3 4s 2 643.53 153.65 n i p4 10p - sp3 5s 2 427.61 97.48 n i p4 10p - sp3 6s 2 307.74 68.85 n i p4 10p - sp3 7s 2 234.03 51.94 n i p4 10p - sp3 8s 2 185.21 40.98 n i p4 10p - sp3 9s 2 151.10 33.40 n i p4 10p - sp3 10s 2 126.83 27.90 n i p4 10p - sp3 3d 2 134.95 -36.60 n i p4 10p - sp3 4d 2 122.58 -30.76 n i p4 10p - sp3 5d 2 104.05 -24.61 n i p4 10p - sp3 6d 2 88.16 -19.92 n i p4 10p - sp3 7d 2 75.50 -16.44 n i p4 10p - sp3 8d 2 65.45 -13.83 n i p4 10p - sp3 9d 2 56.70 -11.82 n i p4 10p - sp3 10d 2 67.09 -10.25 n i p4 11p - p4 12p 4 0.00 41.00 28.99 21.17 n i p4 11p - p4 13p 4 0.00 36.09 25.55 18.66 n i p4 11p - p4 4f 2 -3.63 -0.49 n i p4 11p - p4 5f 2 -3.42 -0.43 n i p4 11p - p4 6f 2 -2.91 -0.35 n i p4 11p - p4 7f 2 -2.44 -0.29 n i p4 11p - p4 8f 2 -2.05 -0.25 n i p4 11p - p4 9f 2 -1.73 -0.21 n i p4 11p - p4 10f 2 -1.47 -0.18 n i p4 11p - p4 11f 2 -1.18 -0.16 n i p4 11p - p4 12f 2 -1.04 -0.14 n i p4 11p - p4 13f 2 -0.93 -0.13 n i p4 11p - sp3 3s 2 930.34 257.23 n i p4 11p - sp3 4s 2 550.89 132.06 n i p4 11p - sp3 5s 2 366.16 83.78 n i p4 11p - sp3 6s 2 263.56 59.18 n i p4 11p - sp3 7s 2 200.46 44.65 n i p4 11p - sp3 8s 2 158.64 35.23 n i p4 11p - sp3 9s 2 129.36 28.71 n i p4 11p - sp3 10s 2 108.00 23.98 n i p4 11p - sp3 3d 2 114.46 -31.33 n i p4 11p - sp3 4d 2 103.90 -26.34 n i p4 11p - sp3 5d 2 88.09 -21.07 n i p4 11p - sp3 6d 2 74.53 -17.06 n i p4 11p - sp3 7d 2 63.74 -14.08 n i p4 11p - sp3 8d 2 55.21 -11.84 n i p4 11p - sp3 9d 2 48.37 -10.12 n i p4 11p - sp3 10d 2 42.34 -8.77 n i p4 12p - p4 13p 4 0.00 31.46 22.26 16.26 n i p4 12p - p4 4f 2 -3.13 -0.43 n i p4 12p - p4 5f 2 -2.95 -0.37 n i p4 12p - p4 6f 2 -2.52 -0.31 n i p4 12p - p4 7f 2 -2.12 -0.26 n i p4 12p - p4 8f 2 -1.79 -0.22 n i p4 12p - p4 9f 2 -1.52 -0.18 n i p4 12p - p4 10f 2 -1.30 -0.16 n i p4 12p - p4 11f 2 -1.12 -0.14 n i p4 12p - p4 12f 2 -0.93 -0.12 n i p4 12p - p4 13f 2 -0.82 -0.11 n i p4 12p - sp3 3s 2 807.85 224.17 n i p4 12p - sp3 4s 2 478.62 115.10 n i p4 12p - sp3 5s 2 318.22 73.02 n i p4 12p - sp3 6s 2 229.11 51.58 n i p4 12p - sp3 7s 2 174.28 38.91 n i p4 12p - sp3 8s 2 137.95 30.70 n i p4 12p - sp3 9s 2 112.49 25.02 n i p4 12p - sp3 10s 2 93.88 20.90 n i p4 12p - sp3 3d 2 98.65 -27.22 n i p4 12p - sp3 4d 2 89.52 -22.89 n i p4 12p - sp3 5d 2 75.84 -18.31 n i p4 12p - sp3 6d 2 64.10 -14.82 n i p4 12p - sp3 7d 2 54.76 -12.23 n i p4 12p - sp3 8d 2 47.38 -10.29 n i p4 12p - sp3 9d 2 41.49 -8.79 n i p4 12p - sp3 10d 2 36.70 -7.62 n i p4 13p - p4 4f 2 -2.73 -0.38 n i p4 13p - p4 5f 2 -2.58 -0.33 n i p4 13p - p4 6f 2 -2.21 -0.27 n i p4 13p - p4 7f 2 -1.86 -0.23 n i p4 13p - p4 8f 2 -1.57 -0.19 n i p4 13p - p4 9f 2 -1.34 -0.16 n i p4 13p - p4 10f 2 -1.15 -0.14 n i p4 13p - p4 11f 2 -1.00 -0.12 n i p4 13p - p4 12f 2 -0.87 -0.11 n i p4 13p - p4 13f 2 -0.74 -0.10 n i p4 13p - sp3 3s 2 710.10 197.64 n i p4 13p - sp3 4s 2 420.93 101.48 n i p4 13p - sp3 5s 2 279.95 64.38 n i p4 13p - sp3 6s 2 201.60 45.47 n i p4 13p - sp3 7s 2 153.38 34.31 n i p4 13p - sp3 8s 2 121.42 27.07 n i p4 13p - sp3 9s 2 99.03 22.06 n i p4 13p - sp3 10s 2 82.65 18.43 n i p4 13p - sp3 3d 2 86.15 -23.94 n i p4 13p - sp3 4d 2 78.16 -20.13 n i p4 13p - sp3 5d 2 66.18 -16.11 n i p4 13p - sp3 6d 2 55.90 -13.04 n i p4 13p - sp3 7d 2 47.72 -10.76 n i p4 13p - sp3 8d 2 41.25 -9.05 n i p4 13p - sp3 9d 2 36.09 -7.74 n i p4 13p - sp3 10d 2 31.92 -6.71 n i s2p2 4f - s2p2 5f 4 0.00 93.55 0.83 0.53 n i s2p2 4f - s2p2 6f 4 0.00 65.86 0.70 0.45 n i s2p2 4f - s2p2 7f 4 0.00 50.16 0.59 0.38 n i s2p2 4f - s2p2 8f 4 0.00 40.05 0.51 0.32 n i s2p2 4f - s2p2 9f 4 0.00 33.02 0.44 0.28 n i s2p2 4f - s2p2 10f 4 0.00 27.88 0.38 0.24 n i s2p2 4f - s2p2 11f 4 0.00 23.97 0.33 0.21 n i s2p2 4f - s2p2 12f 4 0.00 20.91 0.30 0.19 n i s2p2 4f - s2p2 13f 4 0.00 18.46 0.27 0.17 n i s2p2 4f - p4 4f 1 97113.78 n i s2p2 4f - p4 5f 1 0.00 n i s2p2 4f - p4 6f 1 0.00 n i s2p2 4f - p4 7f 1 0.00 n i s2p2 4f - p4 8f 1 0.00 n i s2p2 4f - p4 9f 1 0.00 n i s2p2 4f - p4 10f 1 0.00 n i s2p2 4f - p4 11f 1 0.00 n i s2p2 4f - p4 12f 1 0.00 n i s2p2 4f - p4 13f 1 0.00 n i s2p2 4f - s2p2 6h 2 19.08 0.00 n i s2p2 4f - s2p2 7h 2 18.53 0.00 n i s2p2 4f - s2p2 8h 2 16.52 0.00 n i s2p2 4f - s2p2 9h 2 14.51 0.00 n i s2p2 4f - sp3 3d 2 -1643.73 -9.48 n i s2p2 4f - sp3 4d 2 26.37 -7.58 n i s2p2 4f - sp3 5d 2 -44.50 -5.93 n i s2p2 4f - sp3 6d 2 -36.54 -4.74 n i s2p2 4f - sp3 7d 2 -28.79 -3.88 n i s2p2 4f - sp3 8d 2 -23.12 -3.24 n i s2p2 4f - sp3 9d 2 -18.99 -2.76 n i s2p2 4f - sp3 10d 2 -15.91 -2.39 n i s2p2 5f - s2p2 6f 4 0.00 57.69 0.65 0.42 n i s2p2 5f - s2p2 7f 4 0.00 44.07 0.55 0.35 n i s2p2 5f - s2p2 8f 4 0.00 35.26 0.47 0.30 n i s2p2 5f - s2p2 9f 4 0.00 29.12 0.40 0.26 n i s2p2 5f - s2p2 10f 4 0.00 24.61 0.35 0.22 n i s2p2 5f - s2p2 11f 4 0.00 21.17 0.31 0.20 n i s2p2 5f - s2p2 12f 4 0.00 18.48 0.27 0.17 n i s2p2 5f - s2p2 13f 4 0.00 16.32 0.24 0.16 n i s2p2 5f - p4 4f 1 0.00 n i s2p2 5f - p4 5f 1 97113.80 n i s2p2 5f - p4 6f 1 0.00 n i s2p2 5f - p4 7f 1 0.00 n i s2p2 5f - p4 8f 1 0.00 n i s2p2 5f - p4 9f 1 0.00 n i s2p2 5f - p4 10f 1 0.00 n i s2p2 5f - p4 11f 1 0.00 n i s2p2 5f - p4 12f 1 0.00 n i s2p2 5f - p4 13f 1 0.00 n i s2p2 5f - s2p2 6h 2 -4.47 0.00 n i s2p2 5f - s2p2 7h 2 0.68 0.00 n i s2p2 5f - s2p2 8h 2 2.53 0.00 n i s2p2 5f - s2p2 9h 2 3.14 0.00 n i s2p2 5f - sp3 3d 2 -1150.88 -8.81 n i s2p2 5f - sp3 4d 2 -465.35 -7.05 n i s2p2 5f - sp3 5d 2 21.26 -5.51 n i s2p2 5f - sp3 6d 2 -25.86 -4.40 n i s2p2 5f - sp3 7d 2 -24.06 -3.61 n i s2p2 5f - sp3 8d 2 -20.30 -3.02 n i s2p2 5f - sp3 9d 2 -17.03 -2.57 n i s2p2 5f - sp3 10d 2 -14.44 -2.22 n i s2p2 6f - s2p2 7f 4 0.00 36.32 0.47 0.30 n i s2p2 6f - s2p2 8f 4 0.00 29.09 0.40 0.25 n i s2p2 6f - s2p2 9f 4 0.00 24.05 0.34 0.22 n i s2p2 6f - s2p2 10f 4 0.00 20.34 0.30 0.19 n i s2p2 6f - s2p2 11f 4 0.00 17.51 0.26 0.17 n i s2p2 6f - s2p2 12f 4 0.00 15.29 0.23 0.15 n i s2p2 6f - s2p2 13f 4 0.00 13.51 0.21 0.13 n i s2p2 6f - p4 4f 1 0.00 n i s2p2 6f - p4 5f 1 0.00 n i s2p2 6f - p4 6f 1 97113.84 n i s2p2 6f - p4 7f 1 0.00 n i s2p2 6f - p4 8f 1 0.00 n i s2p2 6f - p4 9f 1 0.00 n i s2p2 6f - p4 10f 1 0.00 n i s2p2 6f - p4 11f 1 0.00 n i s2p2 6f - p4 12f 1 0.00 n i s2p2 6f - p4 13f 1 0.00 n i s2p2 6f - s2p2 6h 2 0.00 0.00 n i s2p2 6f - s2p2 7h 2 -2.01 0.00 n i s2p2 6f - s2p2 8h 2 -0.82 0.00 n i s2p2 6f - s2p2 9h 2 -0.07 0.00 n i s2p2 6f - sp3 3d 2 -860.12 -7.53 n i s2p2 6f - sp3 4d 2 -415.99 -6.03 n i s2p2 6f - sp3 5d 2 -170.27 -4.71 n i s2p2 6f - sp3 6d 2 15.56 -3.77 n i s2p2 6f - sp3 7d 2 -14.20 -3.08 n i s2p2 6f - sp3 8d 2 -14.70 -2.58 n i s2p2 6f - sp3 9d 2 -13.11 -2.20 n i s2p2 6f - sp3 10d 2 -11.42 -1.90 n i s2p2 7f - s2p2 8f 4 0.00 24.05 0.34 0.22 n i s2p2 7f - s2p2 9f 4 0.00 19.89 0.29 0.19 n i s2p2 7f - s2p2 10f 4 0.00 16.83 0.25 0.16 n i s2p2 7f - s2p2 11f 4 0.00 14.49 0.22 0.14 n i s2p2 7f - s2p2 12f 4 0.00 12.66 0.20 0.13 n i s2p2 7f - s2p2 13f 4 0.00 11.19 0.18 0.11 n i s2p2 7f - p4 4f 1 0.00 n i s2p2 7f - p4 5f 1 0.00 n i s2p2 7f - p4 6f 1 0.00 n i s2p2 7f - p4 7f 1 97113.87 n i s2p2 7f - p4 8f 1 0.00 n i s2p2 7f - p4 9f 1 0.00 n i s2p2 7f - p4 10f 1 0.00 n i s2p2 7f - p4 11f 1 0.00 n i s2p2 7f - p4 12f 1 0.00 n i s2p2 7f - p4 13f 1 0.00 n i s2p2 7f - s2p2 6h 2 0.06 0.00 n i s2p2 7f - s2p2 7h 2 0.00 0.00 n i s2p2 7f - s2p2 8h 2 -0.93 0.00 n i s2p2 7f - s2p2 9h 2 -0.65 0.00 n i s2p2 7f - sp3 3d 2 -674.82 -6.38 n i s2p2 7f - sp3 4d 2 -348.93 -5.11 n i s2p2 7f - sp3 5d 2 -172.86 -4.00 n i s2p2 7f - sp3 6d 2 -73.17 -3.19 n i s2p2 7f - sp3 7d 2 11.35 -2.61 n i s2p2 7f - sp3 8d 2 -7.83 -2.19 n i s2p2 7f - sp3 9d 2 -8.97 -1.86 n i s2p2 7f - sp3 10d 2 -8.41 -1.61 n i s2p2 8f - s2p2 9f 4 0.00 16.67 0.25 0.16 n i s2p2 8f - s2p2 10f 4 0.00 14.11 0.21 0.14 n i s2p2 8f - s2p2 11f 4 0.00 12.15 0.19 0.12 n i s2p2 8f - s2p2 12f 4 0.00 10.62 0.17 0.11 n i s2p2 8f - s2p2 13f 4 0.00 9.38 0.15 0.10 n i s2p2 8f - p4 4f 1 0.00 n i s2p2 8f - p4 5f 1 0.00 n i s2p2 8f - p4 6f 1 0.00 n i s2p2 8f - p4 7f 1 0.00 n i s2p2 8f - p4 8f 1 97113.89 n i s2p2 8f - p4 9f 1 0.00 n i s2p2 8f - p4 10f 1 0.00 n i s2p2 8f - p4 11f 1 0.00 n i s2p2 8f - p4 12f 1 0.00 n i s2p2 8f - p4 13f 1 0.00 n i s2p2 8f - s2p2 6h 2 0.08 0.00 n i s2p2 8f - s2p2 7h 2 0.04 0.00 n i s2p2 8f - s2p2 8h 2 0.00 0.00 n i s2p2 8f - s2p2 9h 2 -0.46 0.00 n i s2p2 8f - sp3 3d 2 -548.22 -5.44 n i s2p2 8f - sp3 4d 2 -293.35 -4.36 n i s2p2 8f - sp3 5d 2 -156.04 -3.41 n i s2p2 8f - sp3 6d 2 -81.10 -2.72 n i s2p2 8f - sp3 7d 2 -35.02 -2.23 n i s2p2 8f - sp3 8d 2 8.41 -1.87 n i s2p2 8f - sp3 9d 2 -4.35 -1.59 n i s2p2 8f - sp3 10d 2 -5.54 -1.37 n i s2p2 9f - s2p2 10f 4 0.00 12.00 0.18 0.12 n i s2p2 9f - s2p2 11f 4 0.00 10.34 0.16 0.10 n i s2p2 9f - s2p2 12f 4 0.00 9.03 0.14 0.09 n i s2p2 9f - s2p2 13f 4 0.00 7.99 0.13 0.08 n i s2p2 9f - p4 4f 1 0.00 n i s2p2 9f - p4 5f 1 0.00 n i s2p2 9f - p4 6f 1 0.00 n i s2p2 9f - p4 7f 1 0.00 n i s2p2 9f - p4 8f 1 0.00 n i s2p2 9f - p4 9f 1 97113.90 n i s2p2 9f - p4 10f 1 0.00 n i s2p2 9f - p4 11f 1 0.00 n i s2p2 9f - p4 12f 1 0.00 n i s2p2 9f - p4 13f 1 0.00 n i s2p2 9f - s2p2 6h 2 0.08 0.00 n i s2p2 9f - s2p2 7h 2 0.06 0.00 n i s2p2 9f - s2p2 8h 2 0.03 0.00 n i s2p2 9f - s2p2 9h 2 0.00 0.00 n i s2p2 9f - sp3 3d 2 -457.11 -4.69 n i s2p2 9f - sp3 4d 2 -249.65 -3.76 n i s2p2 9f - sp3 5d 2 -137.75 -2.94 n i s2p2 9f - sp3 6d 2 -77.23 -2.35 n i s2p2 9f - sp3 7d 2 -41.68 -1.92 n i s2p2 9f - sp3 8d 2 -18.05 -1.61 n i s2p2 9f - sp3 9d 2 6.37 -1.37 n i s2p2 9f - sp3 10d 2 -2.39 -1.18 n i s2p2 10f - s2p2 11f 4 0.00 8.92 0.14 0.09 n i s2p2 10f - s2p2 12f 4 0.00 7.79 0.13 0.08 n i s2p2 10f - s2p2 13f 4 0.00 6.89 0.11 0.07 n i s2p2 10f - p4 4f 1 0.00 n i s2p2 10f - p4 5f 1 0.00 n i s2p2 10f - p4 6f 1 0.00 n i s2p2 10f - p4 7f 1 0.00 n i s2p2 10f - p4 8f 1 0.00 n i s2p2 10f - p4 9f 1 0.00 n i s2p2 10f - p4 10f 1 97113.91 n i s2p2 10f - p4 11f 1 0.00 n i s2p2 10f - p4 12f 1 0.00 n i s2p2 10f - p4 13f 1 0.00 n i s2p2 10f - s2p2 6h 2 0.07 0.00 n i s2p2 10f - s2p2 7h 2 0.06 0.00 n i s2p2 10f - s2p2 8h 2 0.04 0.00 n i s2p2 10f - s2p2 9h 2 0.02 0.00 n i s2p2 10f - sp3 3d 2 -388.90 -4.09 n i s2p2 10f - sp3 4d 2 -215.26 -3.27 n i s2p2 10f - sp3 5d 2 -121.43 -2.56 n i s2p2 10f - sp3 6d 2 -70.78 -2.05 n i s2p2 10f - sp3 7d 2 -41.43 -1.68 n i s2p2 10f - sp3 8d 2 -22.94 -1.40 n i s2p2 10f - sp3 9d 2 -9.78 -1.19 n i s2p2 10f - sp3 10d 2 4.92 -1.03 n i s2p2 11f - s2p2 12f 4 0.00 6.81 0.11 0.07 n i s2p2 11f - s2p2 13f 4 0.00 6.02 0.10 0.06 n i s2p2 11f - p4 4f 1 0.00 n i s2p2 11f - p4 5f 1 0.00 n i s2p2 11f - p4 6f 1 0.00 n i s2p2 11f - p4 7f 1 0.00 n i s2p2 11f - p4 8f 1 0.00 n i s2p2 11f - p4 9f 1 0.00 n i s2p2 11f - p4 10f 1 0.00 n i s2p2 11f - p4 11f 1 97113.92 n i s2p2 11f - p4 12f 1 0.00 n i s2p2 11f - p4 13f 1 0.00 n i s2p2 11f - s2p2 6h 2 0.06 0.00 n i s2p2 11f - s2p2 7h 2 0.06 0.00 n i s2p2 11f - s2p2 8h 2 0.05 0.00 n i s2p2 11f - s2p2 9h 2 0.03 0.00 n i s2p2 11f - sp3 3d 2 -336.22 -3.60 n i s2p2 11f - sp3 4d 2 -187.84 -2.88 n i s2p2 11f - sp3 5d 2 -107.52 -2.25 n i s2p2 11f - sp3 6d 2 -64.17 -1.80 n i s2p2 11f - sp3 7d 2 -39.15 -1.48 n i s2p2 11f - sp3 8d 2 -23.66 -1.23 n i s2p2 11f - sp3 9d 2 -13.29 -1.05 n i s2p2 11f - sp3 10d 2 -5.48 -0.91 n i s2p2 12f - s2p2 13f 4 0.00 5.31 0.09 0.06 n i s2p2 12f - p4 4f 1 0.00 n i s2p2 12f - p4 5f 1 0.00 n i s2p2 12f - p4 6f 1 0.00 n i s2p2 12f - p4 7f 1 0.00 n i s2p2 12f - p4 8f 1 0.00 n i s2p2 12f - p4 9f 1 0.00 n i s2p2 12f - p4 10f 1 0.00 n i s2p2 12f - p4 11f 1 0.00 n i s2p2 12f - p4 12f 1 97113.92 n i s2p2 12f - p4 13f 1 0.00 n i s2p2 12f - s2p2 6h 2 0.06 0.00 n i s2p2 12f - s2p2 7h 2 0.06 0.00 n i s2p2 12f - s2p2 8h 2 0.05 0.00 n i s2p2 12f - s2p2 9h 2 0.03 0.00 n i s2p2 12f - sp3 3d 2 -294.52 -3.20 n i s2p2 12f - sp3 4d 2 -165.67 -2.56 n i s2p2 12f - sp3 5d 2 -95.80 -2.00 n i s2p2 12f - sp3 6d 2 -58.08 -1.60 n i s2p2 12f - sp3 7d 2 -36.34 -1.31 n i s2p2 12f - sp3 8d 2 -22.95 -1.10 n i s2p2 12f - sp3 9d 2 -14.18 -0.93 n i s2p2 12f - sp3 10d 2 -8.01 -0.81 n i s2p2 13f - p4 4f 1 0.00 n i s2p2 13f - p4 5f 1 0.00 n i s2p2 13f - p4 6f 1 0.00 n i s2p2 13f - p4 7f 1 0.00 n i s2p2 13f - p4 8f 1 0.00 n i s2p2 13f - p4 9f 1 0.00 n i s2p2 13f - p4 10f 1 0.00 n i s2p2 13f - p4 11f 1 0.00 n i s2p2 13f - p4 12f 1 0.00 n i s2p2 13f - p4 13f 1 97113.93 n i s2p2 13f - s2p2 6h 2 0.05 0.00 n i s2p2 13f - s2p2 7h 2 0.05 0.00 n i s2p2 13f - s2p2 8h 2 0.04 0.00 n i s2p2 13f - s2p2 9h 2 0.03 0.00 n i s2p2 13f - sp3 3d 2 -260.82 -2.86 n i s2p2 13f - sp3 4d 2 -147.47 -2.29 n i s2p2 13f - sp3 5d 2 -85.92 -1.79 n i s2p2 13f - sp3 6d 2 -52.66 -1.43 n i s2p2 13f - sp3 7d 2 -33.50 -1.17 n i s2p2 13f - sp3 8d 2 -21.74 -0.98 n i s2p2 13f - sp3 9d 2 -14.09 -0.84 n i s2p2 13f - sp3 10d 2 -8.83 -0.72 n i p4 4f - p4 5f 4 0.00 95.40 0.88 0.56 n i p4 4f - p4 6f 4 0.00 67.18 0.75 0.48 n i p4 4f - p4 7f 4 0.00 51.18 0.64 0.41 n i p4 4f - p4 8f 4 0.00 40.87 0.54 0.35 n i p4 4f - p4 9f 4 0.00 33.71 0.47 0.30 n i p4 4f - p4 10f 4 0.00 28.46 0.41 0.26 n i p4 4f - p4 11f 4 0.00 24.47 0.36 0.23 n i p4 4f - p4 12f 4 0.00 21.35 0.32 0.20 n i p4 4f - p4 13f 4 0.00 18.85 0.28 0.18 n i p4 4f - p4 6h 2 19.44 0.00 n i p4 4f - p4 7h 2 18.88 0.00 n i p4 4f - p4 8h 2 16.84 0.00 n i p4 4f - p4 9h 2 14.78 0.00 n i p4 4f - sp3 3d 2 -1632.61 -6.60 n i p4 4f - sp3 4d 2 25.55 -5.25 n i p4 4f - sp3 5d 2 -44.62 -4.10 n i p4 4f - sp3 6d 2 -36.61 -3.27 n i p4 4f - sp3 7d 2 -28.86 -2.68 n i p4 4f - sp3 8d 2 -23.18 -2.24 n i p4 4f - sp3 9d 2 -19.04 -1.90 n i p4 4f - sp3 10d 2 -15.96 -1.65 n i p4 5f - p4 6f 4 0.00 58.87 0.69 0.44 n i p4 5f - p4 7f 4 0.00 44.98 0.59 0.38 n i p4 5f - p4 8f 4 0.00 36.00 0.50 0.32 n i p4 5f - p4 9f 4 0.00 29.73 0.43 0.28 n i p4 5f - p4 10f 4 0.00 25.13 0.38 0.24 n i p4 5f - p4 11f 4 0.00 21.63 0.33 0.21 n i p4 5f - p4 12f 4 0.00 18.88 0.29 0.19 n i p4 5f - p4 13f 4 0.00 16.67 0.26 0.17 n i p4 5f - p4 6h 2 -4.56 0.00 n i p4 5f - p4 7h 2 0.69 0.00 n i p4 5f - p4 8h 2 2.58 0.00 n i p4 5f - p4 9h 2 3.20 0.00 n i p4 5f - sp3 3d 2 -1143.61 -6.18 n i p4 5f - sp3 4d 2 -462.85 -4.92 n i p4 5f - sp3 5d 2 20.47 -3.84 n i p4 5f - sp3 6d 2 -26.13 -3.07 n i p4 5f - sp3 7d 2 -24.26 -2.51 n i p4 5f - sp3 8d 2 -20.45 -2.10 n i p4 5f - sp3 9d 2 -17.16 -1.79 n i p4 5f - sp3 10d 2 -14.55 -1.54 n i p4 6f - p4 7f 4 0.00 37.09 0.50 0.32 n i p4 6f - p4 8f 4 0.00 29.71 0.43 0.27 n i p4 6f - p4 9f 4 0.00 24.56 0.37 0.24 n i p4 6f - p4 10f 4 0.00 20.78 0.32 0.21 n i p4 6f - p4 11f 4 0.00 17.89 0.28 0.18 n i p4 6f - p4 12f 4 0.00 15.63 0.25 0.16 n i p4 6f - p4 13f 4 0.00 13.81 0.22 0.14 n i p4 6f - p4 6h 2 0.00 0.00 n i p4 6f - p4 7h 2 -2.05 0.00 n i p4 6f - p4 8h 2 -0.84 0.00 n i p4 6f - p4 9h 2 -0.08 0.00 n i p4 6f - sp3 3d 2 -854.99 -5.31 n i p4 6f - sp3 4d 2 -413.87 -4.23 n i p4 6f - sp3 5d 2 -169.73 -3.30 n i p4 6f - sp3 6d 2 14.93 -2.63 n i p4 6f - sp3 7d 2 -14.49 -2.16 n i p4 6f - sp3 8d 2 -14.91 -1.80 n i p4 6f - sp3 9d 2 -13.29 -1.53 n i p4 6f - sp3 10d 2 -11.57 -1.33 n i p4 7f - p4 8f 4 0.00 24.57 0.36 0.23 n i p4 7f - p4 9f 4 0.00 20.32 0.31 0.20 n i p4 7f - p4 10f 4 0.00 17.20 0.27 0.17 n i p4 7f - p4 11f 4 0.00 14.81 0.24 0.15 n i p4 7f - p4 12f 4 0.00 12.94 0.21 0.14 n i p4 7f - p4 13f 4 0.00 11.44 0.19 0.12 n i p4 7f - p4 6h 2 0.06 0.00 n i p4 7f - p4 7h 2 0.00 0.00 n i p4 7f - p4 8h 2 -0.95 0.00 n i p4 7f - p4 9h 2 -0.66 0.00 n i p4 7f - sp3 3d 2 -670.99 -4.51 n i p4 7f - sp3 4d 2 -347.26 -3.59 n i p4 7f - sp3 5d 2 -172.27 -2.81 n i p4 7f - sp3 6d 2 -73.17 -2.24 n i p4 7f - sp3 7d 2 10.86 -1.83 n i p4 7f - sp3 8d 2 -8.09 -1.53 n i p4 7f - sp3 9d 2 -9.17 -1.30 n i p4 7f - sp3 10d 2 -8.57 -1.13 n i p4 8f - p4 9f 4 0.00 17.03 0.27 0.17 n i p4 8f - p4 10f 4 0.00 14.42 0.23 0.15 n i p4 8f - p4 11f 4 0.00 12.42 0.20 0.13 n i p4 8f - p4 12f 4 0.00 10.85 0.18 0.12 n i p4 8f - p4 13f 4 0.00 9.60 0.16 0.10 n i p4 8f - p4 6h 2 0.08 0.00 n i p4 8f - p4 7h 2 0.04 0.00 n i p4 8f - p4 8h 2 0.00 0.00 n i p4 8f - p4 9h 2 -0.47 0.00 n i p4 8f - sp3 3d 2 -545.23 -3.86 n i p4 8f - sp3 4d 2 -292.02 -3.07 n i p4 8f - sp3 5d 2 -155.53 -2.40 n i p4 8f - sp3 6d 2 -81.00 -1.92 n i p4 8f - sp3 7d 2 -35.16 -1.57 n i p4 8f - sp3 8d 2 8.03 -1.31 n i p4 8f - sp3 9d 2 -4.57 -1.12 n i p4 8f - sp3 10d 2 -5.71 -0.96 n i p4 9f - p4 10f 4 0.00 12.27 0.20 0.13 n i p4 9f - p4 11f 4 0.00 10.57 0.18 0.11 n i p4 9f - p4 12f 4 0.00 9.24 0.16 0.10 n i p4 9f - p4 13f 4 0.00 8.17 0.14 0.09 n i p4 9f - p4 6h 2 0.08 0.00 n i p4 9f - p4 7h 2 0.06 0.00 n i p4 9f - p4 8h 2 0.03 0.00 n i p4 9f - p4 9h 2 0.00 0.00 n i p4 9f - sp3 3d 2 -454.70 -3.33 n i p4 9f - sp3 4d 2 -248.58 -2.65 n i p4 9f - sp3 5d 2 -137.33 -2.07 n i p4 9f - sp3 6d 2 -77.13 -1.65 n i p4 9f - sp3 7d 2 -41.75 -1.35 n i p4 9f - sp3 8d 2 -18.22 -1.13 n i p4 9f - sp3 9d 2 6.07 -0.96 n i p4 9f - sp3 10d 2 -2.58 -0.83 n i p4 10f - p4 11f 4 0.00 9.12 0.15 0.10 n i p4 10f - p4 12f 4 0.00 7.97 0.14 0.09 n i p4 10f - p4 13f 4 0.00 7.05 0.12 0.08 n i p4 10f - p4 6h 2 0.07 0.00 n i p4 10f - p4 7h 2 0.06 0.00 n i p4 10f - p4 8h 2 0.04 0.00 n i p4 10f - p4 9h 2 0.02 0.00 n i p4 10f - sp3 3d 2 -386.91 -2.90 n i p4 10f - sp3 4d 2 -214.38 -2.32 n i p4 10f - sp3 5d 2 -121.08 -1.81 n i p4 10f - sp3 6d 2 -70.70 -1.44 n i p4 10f - sp3 7d 2 -41.47 -1.18 n i p4 10f - sp3 8d 2 -23.06 -0.99 n i p4 10f - sp3 9d 2 -9.95 -0.84 n i p4 10f - sp3 10d 2 4.68 -0.73 n i p4 11f - p4 12f 4 0.00 6.96 0.12 0.08 n i p4 11f - p4 13f 4 0.00 6.15 0.11 0.07 n i p4 11f - p4 6h 2 0.06 0.00 n i p4 11f - p4 7h 2 0.06 0.00 n i p4 11f - p4 8h 2 0.05 0.00 n i p4 11f - p4 9h 2 0.03 0.00 n i p4 11f - sp3 3d 2 -334.55 -2.56 n i p4 11f - sp3 4d 2 -187.11 -2.04 n i p4 11f - sp3 5d 2 -107.23 -1.59 n i p4 11f - sp3 6d 2 -64.10 -1.27 n i p4 11f - sp3 7d 2 -39.19 -1.04 n i p4 11f - sp3 8d 2 -23.75 -0.87 n i p4 11f - sp3 9d 2 -13.42 -0.74 n i p4 11f - sp3 10d 2 -5.63 -0.64 n i p4 12f - p4 13f 4 0.00 5.43 0.09 0.06 n i p4 12f - p4 6h 2 0.06 0.00 n i p4 12f - p4 7h 2 0.06 0.00 n i p4 12f - p4 8h 2 0.05 0.00 n i p4 12f - p4 9h 2 0.03 0.00 n i p4 12f - sp3 3d 2 -293.09 -2.28 n i p4 12f - sp3 4d 2 -165.05 -1.81 n i p4 12f - sp3 5d 2 -95.56 -1.42 n i p4 12f - sp3 6d 2 -58.02 -1.13 n i p4 12f - sp3 7d 2 -36.37 -0.93 n i p4 12f - sp3 8d 2 -23.03 -0.77 n i p4 12f - sp3 9d 2 -14.29 -0.66 n i p4 12f - sp3 10d 2 -8.13 -0.57 n i p4 13f - p4 6h 2 0.05 0.00 n i p4 13f - p4 7h 2 0.05 0.00 n i p4 13f - p4 8h 2 0.04 0.00 n i p4 13f - p4 9h 2 0.03 0.00 n i p4 13f - sp3 3d 2 -259.59 -2.04 n i p4 13f - sp3 4d 2 -146.94 -1.63 n i p4 13f - sp3 5d 2 -85.72 -1.27 n i p4 13f - sp3 6d 2 -52.62 -1.01 n i p4 13f - sp3 7d 2 -33.53 -0.83 n i p4 13f - sp3 8d 2 -21.81 -0.69 n i p4 13f - sp3 9d 2 -14.18 -0.59 n i p4 13f - sp3 10d 2 -8.93 -0.51 n i s2p2 6h - s2p2 7h 4 0.00 6.91 0.00 0.00 n i s2p2 6h - s2p2 8h 4 0.00 4.86 0.00 0.00 n i s2p2 6h - s2p2 9h 4 0.00 3.72 0.00 0.00 n i s2p2 6h - p4 6h 1 97113.94 n i s2p2 6h - p4 7h 1 0.00 n i s2p2 6h - p4 8h 1 0.00 n i s2p2 6h - p4 9h 1 0.00 n i s2p2 6h - s2p2 8k 2 2.74 0.00 n i s2p2 6h - s2p2 9k 2 2.73 0.00 n i s2p2 7h - s2p2 8h 4 0.00 5.33 0.00 0.00 n i s2p2 7h - s2p2 9h 4 0.00 4.10 0.00 0.00 n i s2p2 7h - p4 6h 1 0.00 n i s2p2 7h - p4 7h 1 97113.94 n i s2p2 7h - p4 8h 1 0.00 n i s2p2 7h - p4 9h 1 0.00 n i s2p2 7h - s2p2 8k 2 -0.60 0.00 n i s2p2 7h - s2p2 9k 2 0.44 0.00 n i s2p2 8h - s2p2 9h 4 0.00 3.91 0.00 0.00 n i s2p2 8h - p4 6h 1 0.00 n i s2p2 8h - p4 7h 1 0.00 n i s2p2 8h - p4 8h 1 97113.94 n i s2p2 8h - p4 9h 1 0.00 n i s2p2 8h - s2p2 8k 2 0.00 0.00 n i s2p2 8h - s2p2 9k 2 -0.36 0.00 n i s2p2 9h - p4 6h 1 0.00 n i s2p2 9h - p4 7h 1 0.00 n i s2p2 9h - p4 8h 1 0.00 n i s2p2 9h - p4 9h 1 97113.94 n i s2p2 9h - s2p2 8k 2 0.01 0.00 n i s2p2 9h - s2p2 9k 2 0.00 0.00 n i p4 6h - p4 7h 4 0.00 7.04 0.00 0.00 n i p4 6h - p4 8h 4 0.00 4.95 0.00 0.00 n i p4 6h - p4 9h 4 0.00 3.79 0.00 0.00 n i p4 6h - p4 8k 2 2.80 0.00 n i p4 6h - p4 9k 2 2.78 0.00 n i p4 7h - p4 8h 4 0.00 5.43 0.00 0.00 n i p4 7h - p4 9h 4 0.00 4.18 0.00 0.00 n i p4 7h - p4 8k 2 -0.61 0.00 n i p4 7h - p4 9k 2 0.45 0.00 n i p4 8h - p4 9h 4 0.00 3.98 0.00 0.00 n i p4 8h - p4 8k 2 0.00 0.00 n i p4 8h - p4 9k 2 -0.36 0.00 n i p4 9h - p4 8k 2 0.01 0.00 n i p4 9h - p4 9k 2 0.00 0.00 n i s2p2 8k - s2p2 9k 4 0.00 1.09 0.00 0.00 n i s2p2 8k - p4 8k 1 97113.94 n i s2p2 8k - p4 9k 1 0.00 n i s2p2 9k - p4 8k 1 0.00 n i s2p2 9k - p4 9k 1 97113.94 n i p4 8k - p4 9k 4 0.00 1.11 0.00 0.00 n i sp3 3s - sp3 4s 4 0.00 1520.57 0.00 1502.70 n i sp3 3s - sp3 5s 4 0.00 964.85 0.00 954.96 n i sp3 3s - sp3 6s 4 0.00 681.48 0.00 675.07 n i sp3 3s - sp3 7s 4 0.00 514.13 0.00 509.55 n i sp3 3s - sp3 8s 4 0.00 405.64 0.00 402.15 n i sp3 3s - sp3 9s 4 0.00 330.58 0.00 327.81 n i sp3 3s - sp3 10s 4 0.00 276.12 0.00 273.84 n i sp3 3s - sp3 3d 2 1881.07 -19.14 n i sp3 3s - sp3 4d 2 1285.27 -30.41 n i sp3 3s - sp3 5d 2 933.11 -29.39 n i sp3 3s - sp3 6d 2 714.64 -26.04 n i sp3 3s - sp3 7d 2 569.42 -22.65 n i sp3 3s - sp3 8d 2 467.41 -19.70 n i sp3 3s - sp3 9d 2 392.60 -17.24 n i sp3 3s - sp3 10d 2 335.82 -15.21 n i sp3 4s - sp3 5s 4 0.00 497.17 0.00 495.59 n i sp3 4s - sp3 6s 4 0.00 351.24 0.00 350.59 n i sp3 4s - sp3 7s 4 0.00 265.02 0.00 264.74 n i sp3 4s - sp3 8s 4 0.00 209.12 0.00 208.99 n i sp3 4s - sp3 9s 4 0.00 170.43 0.00 170.38 n i sp3 4s - sp3 10s 4 0.00 142.36 0.00 142.35 n i sp3 4s - sp3 3d 2 378.37 -3.26 n i sp3 4s - sp3 4d 2 444.21 -9.76 n i sp3 4s - sp3 5d 2 358.90 -10.29 n i sp3 4s - sp3 6d 2 287.84 -9.44 n i sp3 4s - sp3 7d 2 235.28 -8.35 n i sp3 4s - sp3 8d 2 196.27 -7.35 n i sp3 4s - sp3 9d 2 166.69 -6.48 n i sp3 4s - sp3 10d 2 143.75 -5.74 n i sp3 5s - sp3 6s 4 0.00 223.05 0.00 223.30 n i sp3 5s - sp3 7s 4 0.00 168.31 0.00 168.64 n i sp3 5s - sp3 8s 4 0.00 132.81 0.00 133.14 n i sp3 5s - sp3 9s 4 0.00 108.24 0.00 108.55 n i sp3 5s - sp3 10s 4 0.00 90.42 0.00 90.69 n i sp3 5s - sp3 3d 2 229.81 -0.39 n i sp3 5s - sp3 4d 2 193.62 -4.74 n i sp3 5s - sp3 5d 2 181.86 -5.36 n i sp3 5s - sp3 6d 2 152.30 -5.03 n i sp3 5s - sp3 7d 2 127.13 -4.51 n i sp3 5s - sp3 8d 2 107.36 -3.99 n i sp3 5s - sp3 9d 2 91.93 -3.54 n i sp3 5s - sp3 10d 2 79.73 -3.15 n i sp3 6s - sp3 7s 4 0.00 118.92 0.00 119.35 n i sp3 6s - sp3 8s 4 0.00 93.84 0.00 94.22 n i sp3 6s - sp3 9s 4 0.00 76.49 0.00 76.82 n i sp3 6s - sp3 10s 4 0.00 63.89 0.00 64.19 n i sp3 6s - sp3 3d 2 156.26 0.32 n i sp3 6s - sp3 4d 2 133.38 -2.84 n i sp3 6s - sp3 5d 2 107.29 -3.38 n i sp3 6s - sp3 6d 2 94.76 -3.22 n i sp3 6s - sp3 7d 2 80.56 -2.91 n i sp3 6s - sp3 8d 2 68.71 -2.59 n i sp3 6s - sp3 9d 2 59.19 -2.30 n i sp3 6s - sp3 10d 2 51.55 -2.05 n i sp3 7s - sp3 8s 4 0.00 70.81 0.00 71.17 n i sp3 7s - sp3 9s 4 0.00 57.72 0.00 58.03 n i sp3 7s - sp3 10s 4 0.00 48.21 0.00 48.48 n i sp3 7s - sp3 3d 2 115.10 0.49 n i sp3 7s - sp3 4d 2 98.24 -1.93 n i sp3 7s - sp3 5d 2 79.64 -2.37 n i sp3 7s - sp3 6d 2 64.74 -2.29 n i sp3 7s - sp3 7d 2 56.31 -2.08 n i sp3 7s - sp3 8d 2 48.44 -1.85 n i sp3 7s - sp3 9d 2 41.93 -1.65 n i sp3 7s - sp3 10d 2 36.63 -1.47 n i sp3 8s - sp3 9s 4 0.00 45.54 0.00 45.81 n i sp3 8s - sp3 10s 4 0.00 38.04 0.00 38.28 n i sp3 8s - sp3 3d 2 89.34 0.51 n i sp3 8s - sp3 4d 2 76.23 -1.42 n i sp3 8s - sp3 5d 2 61.80 -1.79 n i sp3 8s - sp3 6d 2 50.50 -1.74 n i sp3 8s - sp3 7d 2 41.82 -1.58 n i sp3 8s - sp3 8d 2 36.38 -1.42 n i sp3 8s - sp3 9d 2 31.63 -1.26 n i sp3 8s - sp3 10d 2 27.71 -1.13 n i sp3 9s - sp3 10s 4 0.00 31.01 0.00 31.21 n i sp3 9s - sp3 3d 2 71.93 0.48 n i sp3 9s - sp3 4d 2 61.37 -1.10 n i sp3 9s - sp3 5d 2 49.75 -1.41 n i sp3 9s - sp3 6d 2 40.66 -1.38 n i sp3 9s - sp3 7d 2 33.79 -1.26 n i sp3 9s - sp3 8d 2 28.49 -1.13 n i sp3 9s - sp3 9d 2 24.93 -1.01 n i sp3 9s - sp3 10d 2 21.89 -0.90 n i sp3 10s - sp3 3d 2 59.51 0.44 n i sp3 10s - sp3 4d 2 50.78 -0.88 n i sp3 10s - sp3 5d 2 41.16 -1.15 n i sp3 10s - sp3 6d 2 33.64 -1.13 n i sp3 10s - sp3 7d 2 27.96 -1.03 n i sp3 10s - sp3 8d 2 23.63 -0.93 n i sp3 10s - sp3 9d 2 20.25 -0.83 n i sp3 10s - sp3 10d 2 17.85 -0.74 n i sp3 3d - sp3 4d 6 0.00 101.09 0.00 692.66 190.67 106.51 n i sp3 3d - sp3 5d 6 0.00 79.77 0.00 483.12 149.20 83.39 n i sp3 3d - sp3 6d 6 0.00 64.07 0.00 363.64 119.27 66.68 n i sp3 3d - sp3 7d 6 0.00 52.63 0.00 287.07 97.67 54.62 n i sp3 3d - sp3 8d 6 0.00 44.12 0.00 234.32 81.70 45.69 n i sp3 3d - sp3 9d 6 0.00 37.63 0.00 196.07 69.58 38.92 n i sp3 3d - sp3 10d 6 0.00 32.56 0.00 167.27 60.15 33.64 n i sp3 4d - sp3 5d 6 0.00 65.11 0.00 371.10 119.68 67.02 n i sp3 4d - sp3 6d 6 0.00 52.30 0.00 280.56 95.70 53.61 n i sp3 4d - sp3 7d 6 0.00 42.97 0.00 222.15 78.39 43.92 n i sp3 4d - sp3 8d 6 0.00 36.02 0.00 181.71 65.58 36.75 n i sp3 4d - sp3 9d 6 0.00 30.72 0.00 152.29 55.85 31.31 n i sp3 4d - sp3 10d 6 0.00 26.59 0.00 130.07 48.29 27.07 n i sp3 5d - sp3 6d 6 0.00 41.30 0.00 214.17 74.95 42.03 n i sp3 5d - sp3 7d 6 0.00 33.93 0.00 169.85 61.40 34.44 n i sp3 5d - sp3 8d 6 0.00 28.44 0.00 139.11 51.37 28.82 n i sp3 5d - sp3 9d 6 0.00 24.26 0.00 116.69 43.76 24.55 n i sp3 5d - sp3 10d 6 0.00 21.00 0.00 99.75 37.83 21.23 n i sp3 6d - sp3 7d 6 0.00 27.26 0.00 133.60 49.11 27.56 n i sp3 6d - sp3 8d 6 0.00 22.85 0.00 109.49 41.09 23.07 n i sp3 6d - sp3 9d 6 0.00 19.49 0.00 91.90 35.00 19.65 n i sp3 6d - sp3 10d 6 0.00 16.87 0.00 78.59 30.26 16.99 n i sp3 7d - sp3 8d 6 0.00 18.78 0.00 88.66 33.66 18.90 n i sp3 7d - sp3 9d 6 0.00 16.02 0.00 74.44 28.67 16.10 n i sp3 7d - sp3 10d 6 0.00 13.86 0.00 63.68 24.79 13.92 n i sp3 8d - sp3 9d 6 0.00 13.43 0.00 61.75 23.99 13.48 n i sp3 8d - sp3 10d 6 0.00 11.62 0.00 52.83 20.74 11.65 n i sp3 9d - sp3 10d 6 0.00 9.91 0.00 44.71 17.67 9.93 n i s2p2 3s 4 71281.08E 73267.10F 97.86z 2868.17g n i s2p2 4s 4 91274.91E 73710.25F 98.65z 768.99g n i s2p2 5s 4 97476.72E 73803.63F 98.83z 312.47g n i s2p2 6s 4 100227.62E 73834.98F 98.89z 156.72g n i s2p2 7s 4 101687.94E 73848.41F 98.91z 89.51g n i s2p2 8s 4 102555.48E 73855.13F 98.92z 55.84g n i s2p2 9s 4 103112.89E 73858.85F 98.93z 37.15g n i s2p2 10s 4 103492.02E 73861.08F 98.94z 25.95g n i s2p2 11s 4 103761.75E 73862.50F 98.94z 18.84g n i s2p2 12s 4 103960.44E 73863.44F 98.94z 14.10g n i s2p2 13s 4 104110.97E 73864.10F 98.94z 10.83g n i p4 3s 4 299009.57E 72522.55F 94.36z 2971.42g n i p4 4s 4 318069.67E 72950.16F 95.06z 788.36g n i p4 5s 4 324047.94E 73041.43F 95.21z 318.26g n i p4 6s 4 326722.24E 73072.21F 95.27z 158.95g n i p4 7s 4 328149.53E 73085.42F 95.29z 90.51g n i p4 8s 4 329000.60E 73092.02F 95.30z 56.35g n i p4 9s 4 329548.89E 73095.68F 95.31z 37.42g n i p4 10s 4 329922.56E 73097.86F 95.31z 26.10g n i p4 11s 4 330188.83E 73099.25F 95.31z 18.92g n i p4 12s 4 330385.21E 73100.18F 95.32z 14.15g n i p4 13s 4 330534.15E 73100.82F 95.32z 10.85g n i s2p2 3d 7 92261.51E 73840.85F 98.92z 0.03z 1154.65f 227.90g 127.10g n i s2p2 4d 7 97822.14E 73850.89F 98.93z 0.01z 518.60f 145.46g 81.35g n i s2p2 5d 7 100389.36E 73857.14F 98.94z 0.01z 275.93f 88.90g 49.79g n i s2p2 6d 7 101777.01E 73860.54F 98.94z 0.00z 163.82f 56.75g 31.82g n i s2p2 7d 7 102609.94E 73862.46F 98.94z 0.00z 105.06f 38.04g 21.34g n i s2p2 8d 7 103148.66E 73863.62F 98.94z 0.00z 71.36f 26.61g 14.94g n i s2p2 9d 7 103516.85E 73864.35F 98.94z 0.00z 50.67f 19.29g 10.83g n i s2p2 10d 7 103779.69E 73864.84F 98.94z 0.00z 37.26f 14.42g 8.10g n i s2p2 11d 7 103973.86E 73865.17F 98.95z 0.00z 28.20f 11.04g 6.20g n i s2p2 12d 7 104121.25E 73865.41F 98.95z 0.00z 21.86f 8.64g 4.86g n i p4 3d 7 318583.95E 73074.96F 95.29z 0.03z 1198.14f 248.19g 138.53g n i p4 4d 7 324192.95E 73085.58F 95.30z 0.01z 544.74f 160.88g 90.06g n i p4 5d 7 326781.84E 73092.48F 95.31z 0.01z 291.81f 99.09g 55.57g n i p4 6d 7 328179.85E 73096.31F 95.31z 0.00z 173.93f 63.54g 35.67g n i p4 7d 7 329018.26E 73098.51F 95.32z 0.00z 111.83f 42.71g 23.99g n i p4 8d 7 329560.12E 73099.84F 95.32z 0.00z 76.08f 29.93g 16.82g n i p4 9d 7 329930.24E 73100.69F 95.32z 0.00z 54.08f 21.73g 12.22g n i p4 10d 7 330194.35E 73101.26F 95.32z 0.00z 39.81f 16.25g 9.14g n i p4 11d 7 330389.32E 73101.65F 95.32z 0.00z 30.15f 12.46g 7.01g n i p4 12d 7 330537.28E 73101.93F 95.32z 0.00z 23.38f 9.75g 5.49g n i s2p2 5g 7 100501.63E 73866.26F 98.95z 0.00z 38.38f 0.00g 0.00g n i s2p2 6g 7 101842.83E 73866.26F 98.95z 0.00z 22.21f 0.00g 0.00g n i s2p2 7g 7 102651.67E 73866.26F 98.95z 0.00z 13.99f 0.00g 0.00g n i s2p2 8g 7 103176.65E 73866.26F 98.95z 0.00z 9.37f 0.00g 0.00g n i s2p2 9g 7 103536.58E 73866.26F 98.95z 0.00z 6.58f 0.00g 0.00g n i p4 5g 7 326919.40E 73102.92F 95.32z 0.00z 39.11f 0.00g 0.00g n i p4 6g 7 328260.69E 73102.92F 95.32z 0.00z 22.63f 0.00g 0.00g n i p4 7g 7 329069.55E 73102.92F 95.32z 0.00z 14.25f 0.00g 0.00g n i p4 8g 7 329594.55E 73102.92F 95.32z 0.00z 9.55f 0.00g 0.00g n i p4 9g 7 329954.50E 73102.92F 95.32z 0.00z 6.71f 0.00g 0.00g n i s2p2 7i 7 102652.05E 73866.26F 98.95z 0.00z 4.61f 0.00g 0.00g n i s2p2 8i 7 103176.93E 73866.26F 98.95z 0.00z 3.09f 0.00g 0.00g n i s2p2 9i 7 103536.85E 73866.26F 98.95z 0.00z 2.17f 0.00g 0.00g n i p4 7i 7 329069.99E 73102.92F 95.32z 0.00z 4.70f 0.00g 0.00g n i p4 8i 7 329594.90E 73102.92F 95.32z 0.00z 3.15f 0.00g 0.00g n i p4 9i 7 329954.82E 73102.92F 95.32z 0.00z 2.21f 0.00g 0.00g n i sp4 4 106165.29E 63386.67F 77.59z 89418.78g n i sp3 3p 9 182196.15E 72981.56F 96.00z 3.88z 4534.07f 97514.20g 2433.90g 3135.91g n i sp3 3p 2112.26g n i sp3 4p 9 194003.38E 73223.52F 96.48z 1.35z 1436.33f 97711.52g 785.81g 1003.53g n i sp3 4p 702.83g n i sp3 5p 9 198310.90E 73290.49F 96.62z 0.63z 639.80f 97766.64g 353.06g 449.23g n i sp3 5p 319.73g n i sp3 6p 9 200384.31E 73316.41F 96.67z 0.34z 340.59f 97788.08g 188.85g 239.84g n i sp3 6p 172.13g n i sp3 7p 9 201543.00E 73328.55F 96.70z 0.21z 202.83f 97798.14g 112.80g 143.10g n i sp3 7p 103.21g n i sp3 8p 9 202256.20E 73334.98F 96.71z 0.13z 130.54f 97803.48g 72.75g 92.23g n i sp3 8p 66.73g n i sp3 9p 9 202726.54E 73338.71F 96.72z 0.09z 88.95f 97806.58g 49.66g 62.92g n i sp3 9p 45.63g n i sp3 10p 9 203052.90E 73341.02F 96.72z 0.07z 63.34f 97808.50g 35.40g 44.84g n i sp3 10p 32.57g n i sp3 11p 9 203288.56E 73342.52F 96.73z 0.05z 46.69f 97809.75g 26.13g 33.09g n i sp3 11p 24.06g n i sp3 12p 9 203464.38E 73343.55F 96.73z 0.04z 35.41f 97810.60g 19.83g 25.11g n i sp3 12p 18.28g n i sp3 13p 9 203599.04E 73344.27F 96.73z 0.03z 27.49f 97811.20g 15.41g 19.51g n i sp3 13p 14.21g n i sp3 14p 9 203704.45E 73344.79F 96.73z 0.02z 21.77f 97811.64g 12.21g 15.46g n i sp3 14p 11.26g n i sp3 4f 9 197448.75E 73346.63F 96.74z 0.01z 162.91f 97813.16g 0.33g 0.94g n i sp3 4f 0.60g n i sp3 5f 9 199923.13E 73346.66F 96.74z 0.00z 83.58f 97813.18g 0.29g 0.80g n i sp3 5f 0.51g n i sp3 6f 9 201268.91E 73346.70F 96.74z 0.00z 48.46f 97813.22g 0.21g 0.58g n i sp3 6f 0.37g n i sp3 7f 9 202080.52E 73346.72F 96.74z 0.00z 30.57f 97813.24g 0.15g 0.41g n i sp3 7f 0.26g n i sp3 8f 9 202607.28E 73346.74F 96.74z 0.00z 20.51f 97813.26g 0.11g 0.30g n i sp3 8f 0.19g n i sp3 9f 9 202968.29E 73346.76F 96.74z 0.00z 14.42f 97813.27g 0.08g 0.22g n i sp3 9f 0.14g n i s2p2 3s - s2p2 4s 2 0.00 1481.26 n i s2p2 3s - s2p2 5s 2 0.00 942.55 n i s2p2 3s - s2p2 6s 2 0.00 666.88 n i s2p2 3s - s2p2 7s 2 0.00 503.67 n i s2p2 3s - s2p2 8s 2 0.00 397.69 n i s2p2 3s - s2p2 9s 2 0.00 324.29 n i s2p2 3s - s2p2 10s 2 0.00 270.98 n i s2p2 3s - s2p2 11s 2 0.00 230.83 n i s2p2 3s - s2p2 12s 2 0.00 199.68 n i s2p2 3s - s2p2 13s 2 0.00 174.95 n i s2p2 3s - p4 3s 1 96609.60 n i s2p2 3s - p4 4s 1 0.00 n i s2p2 3s - p4 5s 1 0.00 n i s2p2 3s - p4 6s 1 0.00 n i s2p2 3s - p4 7s 1 0.00 n i s2p2 3s - p4 8s 1 0.00 n i s2p2 3s - p4 9s 1 0.00 n i s2p2 3s - p4 10s 1 0.00 n i s2p2 3s - p4 11s 1 0.00 n i s2p2 3s - p4 12s 1 0.00 n i s2p2 3s - p4 13s 1 0.00 n i s2p2 3s - s2p2 3d 2 1848.55 -25.16 n i s2p2 3s - s2p2 4d 2 1260.54 -34.48 n i s2p2 3s - s2p2 5d 2 914.33 -32.26 n i s2p2 3s - s2p2 6d 2 699.92 -28.18 n i s2p2 3s - s2p2 7d 2 557.56 -24.31 n i s2p2 3s - s2p2 8d 2 457.60 -21.05 n i s2p2 3s - s2p2 9d 2 384.32 -18.36 n i s2p2 3s - s2p2 10d 2 328.73 -16.15 n i s2p2 3s - s2p2 11d 2 285.38 -14.33 n i s2p2 3s - s2p2 12d 2 250.80 -12.82 n i s2p2 3s - sp4 1 8011.23 n i s2p2 3s - sp3 3p 2 11749.09 2341.05 n i s2p2 3s - sp3 4p 2 5679.59 1363.36 n i s2p2 3s - sp3 5p 2 3627.62 921.83 n i s2p2 3s - sp3 6p 2 2592.32 677.03 n i s2p2 3s - sp3 7p 2 1976.42 524.51 n i s2p2 3s - sp3 8p 2 1573.04 421.87 n i s2p2 3s - sp3 9p 2 1291.25 348.89 n i s2p2 3s - sp3 10p 2 1084.97 294.81 n i s2p2 3s - sp3 11p 2 928.51 253.40 n i s2p2 3s - sp3 12p 2 806.43 220.87 n i s2p2 3s - sp3 13p 2 708.99 194.75 n i s2p2 3s - sp3 14p 2 629.73 173.41 n i s2p2 4s - s2p2 5s 2 0.00 490.08 n i s2p2 4s - s2p2 6s 2 0.00 346.98 n i s2p2 4s - s2p2 7s 2 0.00 262.17 n i s2p2 4s - s2p2 8s 2 0.00 207.06 n i s2p2 4s - s2p2 9s 2 0.00 168.87 n i s2p2 4s - s2p2 10s 2 0.00 141.13 n i s2p2 4s - s2p2 11s 2 0.00 120.22 n i s2p2 4s - s2p2 12s 2 0.00 104.01 n i s2p2 4s - s2p2 13s 2 0.00 91.14 n i s2p2 4s - p4 3s 1 0.00 n i s2p2 4s - p4 4s 1 96978.75 n i s2p2 4s - p4 5s 1 0.00 n i s2p2 4s - p4 6s 1 0.00 n i s2p2 4s - p4 7s 1 0.00 n i s2p2 4s - p4 8s 1 0.00 n i s2p2 4s - p4 9s 1 0.00 n i s2p2 4s - p4 10s 1 0.00 n i s2p2 4s - p4 11s 1 0.00 n i s2p2 4s - p4 12s 1 0.00 n i s2p2 4s - p4 13s 1 0.00 n i s2p2 4s - s2p2 3d 2 373.21 -6.21 n i s2p2 4s - s2p2 4d 2 436.17 -11.80 n i s2p2 4s - s2p2 5d 2 351.76 -11.76 n i s2p2 4s - s2p2 6d 2 281.82 -10.54 n i s2p2 4s - s2p2 7d 2 230.20 -9.23 n i s2p2 4s - s2p2 8d 2 191.95 -8.06 n i s2p2 4s - s2p2 9d 2 162.97 -7.07 n i s2p2 4s - s2p2 10d 2 140.50 -6.25 n i s2p2 4s - s2p2 11d 2 122.71 -5.56 n i s2p2 4s - s2p2 12d 2 108.36 -4.98 n i s2p2 4s - sp4 1 4066.23 n i s2p2 4s - sp3 3p 2 2989.38 1197.08 n i s2p2 4s - sp3 4p 2 3479.09 699.07 n i s2p2 4s - sp3 5p 2 2158.60 473.21 n i s2p2 4s - sp3 6p 2 1535.29 347.75 n i s2p2 4s - sp3 7p 2 1169.18 269.50 n i s2p2 4s - sp3 8p 2 930.45 216.81 n i s2p2 4s - sp3 9p 2 763.97 179.34 n i s2p2 4s - sp3 10p 2 642.19 151.55 n i s2p2 4s - sp3 11p 2 549.84 130.28 n i s2p2 4s - sp3 12p 2 477.78 113.56 n i s2p2 4s - sp3 13p 2 420.26 100.14 n i s2p2 4s - sp3 14p 2 373.45 89.17 n i s2p2 5s - s2p2 6s 2 0.00 221.28 n i s2p2 5s - s2p2 7s 2 0.00 167.22 n i s2p2 5s - s2p2 8s 2 0.00 132.07 n i s2p2 5s - s2p2 9s 2 0.00 107.72 n i s2p2 5s - s2p2 10s 2 0.00 90.03 n i s2p2 5s - s2p2 11s 2 0.00 76.69 n i s2p2 5s - s2p2 12s 2 0.00 66.35 n i s2p2 5s - s2p2 13s 2 0.00 58.14 n i s2p2 5s - p4 3s 1 0.00 n i s2p2 5s - p4 4s 1 0.00 n i s2p2 5s - p4 5s 1 97059.22 n i s2p2 5s - p4 6s 1 0.00 n i s2p2 5s - p4 7s 1 0.00 n i s2p2 5s - p4 8s 1 0.00 n i s2p2 5s - p4 9s 1 0.00 n i s2p2 5s - p4 10s 1 0.00 n i s2p2 5s - p4 11s 1 0.00 n i s2p2 5s - p4 12s 1 0.00 n i s2p2 5s - p4 13s 1 0.00 n i s2p2 5s - s2p2 3d 2 227.04 -2.26 n i s2p2 5s - s2p2 4d 2 190.40 -6.06 n i s2p2 5s - s2p2 5d 2 178.40 -6.31 n i s2p2 5s - s2p2 6d 2 149.20 -5.75 n i s2p2 5s - s2p2 7d 2 124.43 -5.08 n i s2p2 5s - s2p2 8d 2 105.02 -4.46 n i s2p2 5s - s2p2 9d 2 89.88 -3.93 n i s2p2 5s - s2p2 10d 2 77.92 -3.48 n i s2p2 5s - s2p2 11d 2 68.34 -3.10 n i s2p2 5s - s2p2 12d 2 60.54 -2.79 n i s2p2 5s - sp4 1 2568.94 n i s2p2 5s - sp3 3p 2 1748.59 758.92 n i s2p2 5s - sp3 4p 2 1341.07 443.61 n i s2p2 5s - sp3 5p 2 1463.11 300.39 n i s2p2 5s - sp3 6p 2 1023.10 220.80 n i s2p2 5s - sp3 7p 2 777.28 171.13 n i s2p2 5s - sp3 8p 2 618.28 137.69 n i s2p2 5s - sp3 9p 2 507.66 113.89 n i s2p2 5s - sp3 10p 2 426.83 96.25 n i s2p2 5s - sp3 11p 2 365.54 82.74 n i s2p2 5s - sp3 12p 2 317.72 72.13 n i s2p2 5s - sp3 13p 2 279.55 63.60 n i s2p2 5s - sp3 14p 2 248.48 56.64 n i s2p2 6s - s2p2 7s 2 0.00 118.44 n i s2p2 6s - s2p2 8s 2 0.00 93.55 n i s2p2 6s - s2p2 9s 2 0.00 76.30 n i s2p2 6s - s2p2 10s 2 0.00 63.77 n i s2p2 6s - s2p2 11s 2 0.00 54.33 n i s2p2 6s - s2p2 12s 2 0.00 47.00 n i s2p2 6s - s2p2 13s 2 0.00 41.18 n i s2p2 6s - p4 3s 1 0.00 n i s2p2 6s - p4 4s 1 0.00 n i s2p2 6s - p4 5s 1 0.00 n i s2p2 6s - p4 6s 1 97086.54 n i s2p2 6s - p4 7s 1 0.00 n i s2p2 6s - p4 8s 1 0.00 n i s2p2 6s - p4 9s 1 0.00 n i s2p2 6s - p4 10s 1 0.00 n i s2p2 6s - p4 11s 1 0.00 n i s2p2 6s - p4 12s 1 0.00 n i s2p2 6s - p4 13s 1 0.00 n i s2p2 6s - s2p2 3d 2 154.57 -1.01 n i s2p2 6s - s2p2 4d 2 131.30 -3.78 n i s2p2 6s - s2p2 5d 2 105.33 -4.06 n i s2p2 6s - s2p2 6d 2 92.89 -3.74 n i s2p2 6s - s2p2 7d 2 78.89 -3.32 n i s2p2 6s - s2p2 8d 2 67.23 -2.92 n i s2p2 6s - s2p2 9d 2 57.89 -2.58 n i s2p2 6s - s2p2 10d 2 50.39 -2.29 n i s2p2 6s - s2p2 11d 2 44.33 -2.04 n i s2p2 6s - s2p2 12d 2 39.35 -1.84 n i s2p2 6s - sp4 1 1811.15 n i s2p2 6s - sp3 3p 2 1189.89 536.00 n i s2p2 6s - sp3 4p 2 887.07 313.44 n i s2p2 6s - sp3 5p 2 703.02 212.29 n i s2p2 6s - sp3 6p 2 746.39 156.05 n i s2p2 6s - sp3 7p 2 560.36 120.96 n i s2p2 6s - sp3 8p 2 445.09 97.32 n i s2p2 6s - sp3 9p 2 365.38 80.51 n i s2p2 6s - sp3 10p 2 307.23 68.04 n i s2p2 6s - sp3 11p 2 263.16 58.49 n i s2p2 6s - sp3 12p 2 228.78 50.99 n i s2p2 6s - sp3 13p 2 201.33 44.96 n i s2p2 6s - sp3 14p 2 178.99 40.04 n i s2p2 7s - s2p2 8s 2 0.00 70.70 n i s2p2 7s - s2p2 9s 2 0.00 57.66 n i s2p2 7s - s2p2 10s 2 0.00 48.19 n i s2p2 7s - s2p2 11s 2 0.00 41.06 n i s2p2 7s - s2p2 12s 2 0.00 35.52 n i s2p2 7s - s2p2 13s 2 0.00 31.13 n i s2p2 7s - p4 3s 1 0.00 n i s2p2 7s - p4 4s 1 0.00 n i s2p2 7s - p4 5s 1 0.00 n i s2p2 7s - p4 6s 1 0.00 n i s2p2 7s - p4 7s 1 97098.30 n i s2p2 7s - p4 8s 1 0.00 n i s2p2 7s - p4 9s 1 0.00 n i s2p2 7s - p4 10s 1 0.00 n i s2p2 7s - p4 11s 1 0.00 n i s2p2 7s - p4 12s 1 0.00 n i s2p2 7s - p4 13s 1 0.00 n i s2p2 7s - s2p2 3d 2 113.96 -0.51 n i s2p2 7s - s2p2 4d 2 96.78 -2.64 n i s2p2 7s - s2p2 5d 2 78.25 -2.89 n i s2p2 7s - s2p2 6d 2 63.49 -2.68 n i s2p2 7s - s2p2 7d 2 55.17 -2.39 n i s2p2 7s - s2p2 8d 2 47.42 -2.11 n i s2p2 7s - s2p2 9d 2 41.02 -1.87 n i s2p2 7s - s2p2 10d 2 35.82 -1.66 n i s2p2 7s - s2p2 11d 2 31.58 -1.48 n i s2p2 7s - s2p2 12d 2 28.08 -1.33 n i s2p2 7s - sp4 1 1365.21 n i s2p2 7s - sp3 3p 2 878.86 404.42 n i s2p2 7s - sp3 4p 2 647.26 236.56 n i s2p2 7s - sp3 5p 2 502.53 160.23 n i s2p2 7s - sp3 6p 2 411.50 117.79 n i s2p2 7s - sp3 7p 2 430.51 91.31 n i s2p2 7s - sp3 8p 2 338.86 73.47 n i s2p2 7s - sp3 9p 2 277.91 60.77 n i s2p2 7s - sp3 10p 2 233.67 51.36 n i s2p2 7s - sp3 11p 2 200.17 44.15 n i s2p2 7s - sp3 12p 2 174.05 38.49 n i s2p2 7s - sp3 13p 2 153.20 33.94 n i s2p2 7s - sp3 14p 2 136.22 30.22 n i s2p2 8s - s2p2 9s 2 0.00 45.55 n i s2p2 8s - s2p2 10s 2 0.00 38.07 n i s2p2 8s - s2p2 11s 2 0.00 32.43 n i s2p2 8s - s2p2 12s 2 0.00 28.06 n i s2p2 8s - s2p2 13s 2 0.00 24.59 n i s2p2 8s - p4 3s 1 0.00 n i s2p2 8s - p4 4s 1 0.00 n i s2p2 8s - p4 5s 1 0.00 n i s2p2 8s - p4 6s 1 0.00 n i s2p2 8s - p4 7s 1 0.00 n i s2p2 8s - p4 8s 1 97104.19 n i s2p2 8s - p4 9s 1 0.00 n i s2p2 8s - p4 10s 1 0.00 n i s2p2 8s - p4 11s 1 0.00 n i s2p2 8s - p4 12s 1 0.00 n i s2p2 8s - p4 13s 1 0.00 n i s2p2 8s - s2p2 3d 2 88.51 -0.28 n i s2p2 8s - s2p2 4d 2 75.14 -1.98 n i s2p2 8s - s2p2 5d 2 60.75 -2.20 n i s2p2 8s - s2p2 6d 2 49.55 -2.05 n i s2p2 8s - s2p2 7d 2 40.98 -1.83 n i s2p2 8s - s2p2 8d 2 35.63 -1.62 n i s2p2 8s - s2p2 9d 2 30.96 -1.43 n i s2p2 8s - s2p2 10d 2 27.10 -1.27 n i s2p2 8s - s2p2 11d 2 23.94 -1.14 n i s2p2 8s - s2p2 12d 2 21.31 -1.02 n i s2p2 8s - sp4 1 1076.68 n i s2p2 8s - sp3 3p 2 683.88 319.13 n i s2p2 8s - sp3 4p 2 500.49 186.70 n i s2p2 8s - sp3 5p 2 385.00 126.47 n i s2p2 8s - sp3 6p 2 310.20 92.97 n i s2p2 8s - sp3 7p 2 260.77 72.07 n i s2p2 8s - sp3 8p 2 270.34 57.99 n i s2p2 8s - sp3 9p 2 220.10 47.97 n i s2p2 8s - sp3 10p 2 184.93 40.54 n i s2p2 8s - sp3 11p 2 158.43 34.85 n i s2p2 8s - sp3 12p 2 137.77 30.38 n i s2p2 8s - sp3 13p 2 121.28 26.79 n i s2p2 8s - sp3 14p 2 107.86 23.86 n i s2p2 9s - s2p2 10s 2 0.00 31.05 n i s2p2 9s - s2p2 11s 2 0.00 26.45 n i s2p2 9s - s2p2 12s 2 0.00 22.89 n i s2p2 9s - s2p2 13s 2 0.00 20.05 n i s2p2 9s - p4 3s 1 0.00 n i s2p2 9s - p4 4s 1 0.00 n i s2p2 9s - p4 5s 1 0.00 n i s2p2 9s - p4 6s 1 0.00 n i s2p2 9s - p4 7s 1 0.00 n i s2p2 9s - p4 8s 1 0.00 n i s2p2 9s - p4 9s 1 97107.45 n i s2p2 9s - p4 10s 1 0.00 n i s2p2 9s - p4 11s 1 0.00 n i s2p2 9s - p4 12s 1 0.00 n i s2p2 9s - p4 13s 1 0.00 n i s2p2 9s - s2p2 3d 2 71.31 -0.16 n i s2p2 9s - s2p2 4d 2 60.53 -1.56 n i s2p2 9s - s2p2 5d 2 48.93 -1.75 n i s2p2 9s - s2p2 6d 2 39.91 -1.64 n i s2p2 9s - s2p2 7d 2 33.13 -1.46 n i s2p2 9s - s2p2 8d 2 27.91 -1.29 n i s2p2 9s - s2p2 9d 2 24.40 -1.15 n i s2p2 9s - s2p2 10d 2 21.42 -1.02 n i s2p2 9s - s2p2 11d 2 18.94 -0.91 n i s2p2 9s - s2p2 12d 2 16.88 -0.82 n i s2p2 9s - sp4 1 877.31 n i s2p2 9s - sp3 3p 2 551.88 260.12 n i s2p2 9s - sp3 4p 2 402.40 152.19 n i s2p2 9s - sp3 5p 2 308.00 103.10 n i s2p2 9s - sp3 6p 2 246.31 75.79 n i s2p2 9s - sp3 7p 2 204.31 58.75 n i s2p2 9s - sp3 8p 2 175.34 47.27 n i s2p2 9s - sp3 9p 2 180.67 39.11 n i s2p2 9s - sp3 10p 2 150.87 33.05 n i s2p2 9s - sp3 11p 2 129.18 28.41 n i s2p2 9s - sp3 12p 2 112.35 24.77 n i s2p2 9s - sp3 13p 2 98.92 21.84 n i s2p2 9s - sp3 14p 2 87.98 19.45 n i s2p2 10s - s2p2 11s 2 0.00 22.11 n i s2p2 10s - s2p2 12s 2 0.00 19.13 n i s2p2 10s - s2p2 13s 2 0.00 16.76 n i s2p2 10s - p4 3s 1 0.00 n i s2p2 10s - p4 4s 1 0.00 n i s2p2 10s - p4 5s 1 0.00 n i s2p2 10s - p4 6s 1 0.00 n i s2p2 10s - p4 7s 1 0.00 n i s2p2 10s - p4 8s 1 0.00 n i s2p2 10s - p4 9s 1 0.00 n i s2p2 10s - p4 10s 1 97109.41 n i s2p2 10s - p4 11s 1 0.00 n i s2p2 10s - p4 12s 1 0.00 n i s2p2 10s - p4 13s 1 0.00 n i s2p2 10s - s2p2 3d 2 59.03 -0.10 n i s2p2 10s - s2p2 4d 2 50.10 -1.27 n i s2p2 10s - s2p2 5d 2 40.50 -1.43 n i s2p2 10s - s2p2 6d 2 33.03 -1.35 n i s2p2 10s - s2p2 7d 2 27.42 -1.20 n i s2p2 10s - s2p2 8d 2 23.16 -1.07 n i s2p2 10s - s2p2 9d 2 19.83 -0.95 n i s2p2 10s - s2p2 10d 2 17.47 -0.84 n i s2p2 10s - s2p2 11d 2 15.47 -0.75 n i s2p2 10s - s2p2 12d 2 13.80 -0.68 n i s2p2 10s - sp4 1 732.75 n i s2p2 10s - sp3 3p 2 457.53 217.30 n i s2p2 10s - sp3 4p 2 332.82 127.15 n i s2p2 10s - sp3 5p 2 253.98 86.14 n i s2p2 10s - sp3 6p 2 202.27 63.32 n i s2p2 10s - sp3 7p 2 166.72 49.09 n i s2p2 10s - sp3 8p 2 141.47 39.50 n i s2p2 10s - sp3 9p 2 123.43 32.67 n i s2p2 10s - sp3 10p 2 126.62 27.61 n i s2p2 10s - sp3 11p 2 107.85 23.74 n i s2p2 10s - sp3 12p 2 93.76 20.69 n i s2p2 10s - sp3 13p 2 82.56 18.25 n i s2p2 10s - sp3 14p 2 73.44 16.25 n i s2p2 11s - s2p2 12s 2 0.00 16.30 n i s2p2 11s - s2p2 13s 2 0.00 14.28 n i s2p2 11s - p4 3s 1 0.00 n i s2p2 11s - p4 4s 1 0.00 n i s2p2 11s - p4 5s 1 0.00 n i s2p2 11s - p4 6s 1 0.00 n i s2p2 11s - p4 7s 1 0.00 n i s2p2 11s - p4 8s 1 0.00 n i s2p2 11s - p4 9s 1 0.00 n i s2p2 11s - p4 10s 1 0.00 n i s2p2 11s - p4 11s 1 97110.65 n i s2p2 11s - p4 12s 1 0.00 n i s2p2 11s - p4 13s 1 0.00 n i s2p2 11s - s2p2 3d 2 49.90 -0.06 n i s2p2 11s - s2p2 4d 2 42.36 -1.06 n i s2p2 11s - s2p2 5d 2 34.24 -1.21 n i s2p2 11s - s2p2 6d 2 27.92 -1.13 n i s2p2 11s - s2p2 7d 2 23.18 -1.02 n i s2p2 11s - s2p2 8d 2 19.58 -0.90 n i s2p2 11s - s2p2 9d 2 16.79 -0.80 n i s2p2 11s - s2p2 10d 2 14.58 -0.71 n i s2p2 11s - s2p2 11d 2 12.94 -0.63 n i s2p2 11s - s2p2 12d 2 11.56 -0.57 n i s2p2 11s - sp4 1 623.96 n i s2p2 11s - sp3 3p 2 387.30 185.06 n i s2p2 11s - sp3 4p 2 281.29 108.29 n i s2p2 11s - sp3 5p 2 214.24 73.36 n i s2p2 11s - sp3 6p 2 170.18 53.93 n i s2p2 11s - sp3 7p 2 139.78 41.81 n i s2p2 11s - sp3 8p 2 117.96 33.64 n i s2p2 11s - sp3 9p 2 101.91 27.83 n i s2p2 11s - sp3 10p 2 90.12 23.52 n i s2p2 11s - sp3 11p 2 92.14 20.22 n i s2p2 11s - sp3 12p 2 79.74 17.63 n i s2p2 11s - sp3 13p 2 70.19 15.54 n i s2p2 11s - sp3 14p 2 62.45 13.84 n i s2p2 12s - s2p2 13s 2 0.00 12.35 n i s2p2 12s - p4 3s 1 0.00 n i s2p2 12s - p4 4s 1 0.00 n i s2p2 12s - p4 5s 1 0.00 n i s2p2 12s - p4 6s 1 0.00 n i s2p2 12s - p4 7s 1 0.00 n i s2p2 12s - p4 8s 1 0.00 n i s2p2 12s - p4 9s 1 0.00 n i s2p2 12s - p4 10s 1 0.00 n i s2p2 12s - p4 11s 1 0.00 n i s2p2 12s - p4 12s 1 97111.48 n i s2p2 12s - p4 13s 1 0.00 n i s2p2 12s - s2p2 3d 2 42.89 -0.04 n i s2p2 12s - s2p2 4d 2 36.42 -0.91 n i s2p2 12s - s2p2 5d 2 29.43 -1.03 n i s2p2 12s - s2p2 6d 2 24.01 -0.97 n i s2p2 12s - s2p2 7d 2 19.93 -0.87 n i s2p2 12s - s2p2 8d 2 16.83 -0.77 n i s2p2 12s - s2p2 9d 2 14.44 -0.68 n i s2p2 12s - s2p2 10d 2 12.55 -0.61 n i s2p2 12s - s2p2 11d 2 11.02 -0.55 n i s2p2 12s - s2p2 12d 2 9.86 -0.49 n i s2p2 12s - sp4 1 539.67 n i s2p2 12s - sp3 3p 2 333.33 160.07 n i s2p2 12s - sp3 4p 2 241.83 93.67 n i s2p2 12s - sp3 5p 2 183.94 63.46 n i s2p2 12s - sp3 6p 2 145.86 46.65 n i s2p2 12s - sp3 7p 2 119.53 36.17 n i s2p2 12s - sp3 8p 2 100.57 29.10 n i s2p2 12s - sp3 9p 2 86.47 24.07 n i s2p2 12s - sp3 10p 2 75.80 20.35 n i s2p2 12s - sp3 11p 2 67.77 17.49 n i s2p2 12s - sp3 12p 2 69.12 15.25 n i s2p2 12s - sp3 13p 2 60.59 13.45 n i s2p2 12s - sp3 14p 2 53.90 11.97 n i s2p2 13s - p4 3s 1 0.00 n i s2p2 13s - p4 4s 1 0.00 n i s2p2 13s - p4 5s 1 0.00 n i s2p2 13s - p4 6s 1 0.00 n i s2p2 13s - p4 7s 1 0.00 n i s2p2 13s - p4 8s 1 0.00 n i s2p2 13s - p4 9s 1 0.00 n i s2p2 13s - p4 10s 1 0.00 n i s2p2 13s - p4 11s 1 0.00 n i s2p2 13s - p4 12s 1 0.00 n i s2p2 13s - p4 13s 1 97112.05 n i s2p2 13s - s2p2 3d 2 37.38 -0.03 n i s2p2 13s - s2p2 4d 2 31.74 -0.79 n i s2p2 13s - s2p2 5d 2 25.66 -0.90 n i s2p2 13s - s2p2 6d 2 20.92 -0.85 n i s2p2 13s - s2p2 7d 2 17.37 -0.76 n i s2p2 13s - s2p2 8d 2 14.67 -0.67 n i s2p2 13s - s2p2 9d 2 12.59 -0.60 n i s2p2 13s - s2p2 10d 2 10.94 -0.53 n i s2p2 13s - s2p2 11d 2 9.62 -0.48 n i s2p2 13s - s2p2 12d 2 8.53 -0.43 n i s2p2 13s - sp4 1 472.78 n i s2p2 13s - sp3 3p 2 290.79 140.23 n i s2p2 13s - sp3 4p 2 210.81 82.06 n i s2p2 13s - sp3 5p 2 160.19 55.60 n i s2p2 13s - sp3 6p 2 126.87 40.87 n i s2p2 13s - sp3 7p 2 103.82 31.69 n i s2p2 13s - sp3 8p 2 87.17 25.50 n i s2p2 13s - sp3 9p 2 74.75 21.09 n i s2p2 13s - sp3 10p 2 65.24 17.82 n i s2p2 13s - sp3 11p 2 57.88 15.32 n i s2p2 13s - sp3 12p 2 52.24 13.36 n i s2p2 13s - sp3 13p 2 53.17 11.78 n i s2p2 13s - sp3 14p 2 47.12 10.49 n i p4 3s - p4 4s 2 0.00 1526.43 n i p4 3s - p4 5s 2 0.00 968.08 n i p4 3s - p4 6s 2 0.00 683.46 n i p4 3s - p4 7s 2 0.00 515.43 n i p4 3s - p4 8s 2 0.00 406.52 n i p4 3s - p4 9s 2 0.00 331.20 n i p4 3s - p4 10s 2 0.00 276.56 n i p4 3s - p4 11s 2 0.00 235.43 n i p4 3s - p4 12s 2 0.00 203.56 n i p4 3s - p4 13s 2 0.00 178.27 n i p4 3s - p4 3d 2 1911.60 -15.61 n i p4 3s - p4 4d 2 1310.91 -28.35 n i p4 3s - p4 5d 2 953.19 -28.11 n i p4 3s - p4 6d 2 730.56 -25.17 n i p4 3s - p4 7d 2 582.34 -22.01 n i p4 3s - p4 8d 2 478.11 -19.21 n i p4 3s - p4 9d 2 401.62 -16.85 n i p4 3s - p4 10d 2 343.56 -14.89 n i p4 3s - p4 11d 2 298.26 -13.25 n i p4 3s - p4 12d 2 262.12 -11.88 n i p4 3s - sp4 2 8658.84 1593.72 n i p4 3s - sp3 3p 2 11772.46 3003.33 n i p4 3s - sp3 4p 2 5718.52 1705.92 n i p4 3s - sp3 5p 2 3657.50 1142.72 n i p4 3s - sp3 6p 2 2615.36 835.38 n i p4 3s - sp3 7p 2 1994.73 645.45 n i p4 3s - sp3 8p 2 1588.00 518.26 n i p4 3s - sp3 9p 2 1303.75 428.11 n i p4 3s - sp3 10p 2 1095.62 361.45 n i p4 3s - sp3 11p 2 937.71 310.49 n i p4 3s - sp3 12p 2 814.49 270.51 n i p4 3s - sp3 13p 2 716.12 238.44 n i p4 3s - sp3 14p 2 636.10 212.25 n i p4 4s - p4 5s 2 0.00 500.79 n i p4 4s - p4 6s 2 0.00 353.81 n i p4 4s - p4 7s 2 0.00 266.93 n i p4 4s - p4 8s 2 0.00 210.59 n i p4 4s - p4 9s 2 0.00 171.60 n i p4 4s - p4 10s 2 0.00 143.30 n i p4 4s - p4 11s 2 0.00 122.01 n i p4 4s - p4 12s 2 0.00 105.50 n i p4 4s - p4 13s 2 0.00 92.40 n i p4 4s - p4 3d 2 381.50 -1.58 n i p4 4s - p4 4d 2 451.02 -8.73 n i p4 4s - p4 5d 2 365.48 -9.62 n i p4 4s - p4 6d 2 293.56 -8.96 n i p4 4s - p4 7d 2 240.17 -8.00 n i p4 4s - p4 8d 2 200.46 -7.07 n i p4 4s - p4 9d 2 170.32 -6.25 n i p4 4s - p4 10d 2 146.92 -5.56 n i p4 4s - p4 11d 2 128.37 -4.97 n i p4 4s - p4 12d 2 113.39 -4.47 n i p4 4s - sp4 2 4394.69 807.97 n i p4 4s - sp3 3p 2 2958.78 1534.48 n i p4 4s - sp3 4p 2 3463.79 873.13 n i p4 4s - sp3 5p 2 2157.41 585.28 n i p4 4s - sp3 6p 2 1536.48 428.02 n i p4 4s - sp3 7p 2 1170.90 330.78 n i p4 4s - sp3 8p 2 932.21 265.63 n i p4 4s - sp3 9p 2 765.64 219.45 n i p4 4s - sp3 10p 2 643.73 185.29 n i p4 4s - sp3 11p 2 551.24 159.17 n i p4 4s - sp3 12p 2 479.06 138.68 n i p4 4s - sp3 13p 2 421.42 122.24 n i p4 4s - sp3 14p 2 374.52 108.82 n i p4 5s - p4 6s 2 0.00 224.91 n i p4 5s - p4 7s 2 0.00 169.70 n i p4 5s - p4 8s 2 0.00 133.89 n i p4 5s - p4 9s 2 0.00 109.11 n i p4 5s - p4 10s 2 0.00 91.12 n i p4 5s - p4 11s 2 0.00 77.58 n i p4 5s - p4 12s 2 0.00 67.08 n i p4 5s - p4 13s 2 0.00 58.76 n i p4 5s - p4 3d 2 231.40 0.68 n i p4 5s - p4 4d 2 196.17 -4.07 n i p4 5s - p4 5d 2 184.83 -4.90 n i p4 5s - p4 6d 2 155.07 -4.71 n i p4 5s - p4 7d 2 129.59 -4.26 n i p4 5s - p4 8d 2 109.52 -3.80 n i p4 5s - p4 9d 2 93.82 -3.38 n i p4 5s - p4 10d 2 81.40 -3.01 n i p4 5s - p4 11d 2 71.43 -2.70 n i p4 5s - p4 12d 2 63.30 -2.43 n i p4 5s - sp4 2 2771.05 509.06 n i p4 5s - sp3 3p 2 1726.38 970.19 n i p4 5s - sp3 4p 2 1320.93 552.38 n i p4 5s - sp3 5p 2 1450.19 370.37 n i p4 5s - sp3 6p 2 1017.40 270.88 n i p4 5s - sp3 7p 2 773.93 209.36 n i p4 5s - sp3 8p 2 616.04 168.13 n i p4 5s - sp3 9p 2 506.06 138.91 n i p4 5s - sp3 10p 2 425.61 117.29 n i p4 5s - sp3 11p 2 364.58 100.76 n i p4 5s - sp3 12p 2 316.95 87.79 n i p4 5s - sp3 13p 2 278.90 77.38 n i p4 5s - sp3 14p 2 247.93 68.89 n i p4 6s - p4 7s 2 0.00 119.94 n i p4 6s - p4 8s 2 0.00 94.63 n i p4 6s - p4 9s 2 0.00 77.12 n i p4 6s - p4 10s 2 0.00 64.41 n i p4 6s - p4 11s 2 0.00 54.84 n i p4 6s - p4 12s 2 0.00 47.42 n i p4 6s - p4 13s 2 0.00 41.53 n i p4 6s - p4 3d 2 157.12 1.07 n i p4 6s - p4 4d 2 135.01 -2.35 n i p4 6s - p4 5d 2 108.96 -3.04 n i p4 6s - p4 6d 2 96.40 -2.98 n i p4 6s - p4 7d 2 82.05 -2.73 n i p4 6s - p4 8d 2 70.04 -2.44 n i p4 6s - p4 9d 2 60.37 -2.18 n i p4 6s - p4 10d 2 52.59 -1.95 n i p4 6s - p4 11d 2 46.29 -1.75 n i p4 6s - p4 12d 2 41.12 -1.58 n i p4 6s - sp4 2 1950.48 358.15 n i p4 6s - sp3 3p 2 1172.28 683.80 n i p4 6s - sp3 4p 2 872.58 389.44 n i p4 6s - sp3 5p 2 690.81 261.15 n i p4 6s - sp3 6p 2 737.58 191.01 n i p4 6s - sp3 7p 2 555.32 147.63 n i p4 6s - sp3 8p 2 441.61 118.57 n i p4 6s - sp3 9p 2 362.78 97.96 n i p4 6s - sp3 10p 2 305.18 82.71 n i p4 6s - sp3 11p 2 261.49 71.06 n i p4 6s - sp3 12p 2 227.38 61.91 n i p4 6s - sp3 13p 2 200.14 54.57 n i p4 6s - sp3 14p 2 177.96 48.58 n i p4 7s - p4 8s 2 0.00 71.41 n i p4 7s - p4 9s 2 0.00 58.20 n i p4 7s - p4 10s 2 0.00 48.60 n i p4 7s - p4 11s 2 0.00 41.38 n i p4 7s - p4 12s 2 0.00 35.78 n i p4 7s - p4 13s 2 0.00 31.34 n i p4 7s - p4 3d 2 115.62 1.06 n i p4 7s - p4 4d 2 99.35 -1.55 n i p4 7s - p4 5d 2 80.82 -2.12 n i p4 7s - p4 6d 2 65.84 -2.10 n i p4 7s - p4 7d 2 57.33 -1.93 n i p4 7s - p4 8d 2 49.35 -1.74 n i p4 7s - p4 9d 2 42.74 -1.56 n i p4 7s - p4 10d 2 37.36 -1.39 n i p4 7s - p4 11d 2 32.96 -1.25 n i p4 7s - p4 12d 2 29.33 -1.13 n i p4 7s - sp4 2 1468.44 269.55 n i p4 7s - sp3 3p 2 864.47 515.18 n i p4 7s - sp3 4p 2 635.83 293.45 n i p4 7s - sp3 5p 2 493.46 196.79 n i p4 7s - sp3 6p 2 403.77 143.95 n i p4 7s - sp3 7p 2 424.53 111.26 n i p4 7s - sp3 8p 2 334.99 89.35 n i p4 7s - sp3 9p 2 275.05 73.82 n i p4 7s - sp3 10p 2 231.41 62.33 n i p4 7s - sp3 11p 2 198.33 53.55 n i p4 7s - sp3 12p 2 172.50 46.66 n i p4 7s - sp3 13p 2 151.87 41.13 n i p4 7s - sp3 14p 2 135.07 36.61 n i p4 8s - p4 9s 2 0.00 45.92 n i p4 8s - p4 10s 2 0.00 38.35 n i p4 8s - p4 11s 2 0.00 32.65 n i p4 8s - p4 12s 2 0.00 28.24 n i p4 8s - p4 13s 2 0.00 24.73 n i p4 8s - p4 3d 2 89.67 0.97 n i p4 8s - p4 4d 2 77.04 -1.12 n i p4 8s - p4 5d 2 62.68 -1.58 n i p4 8s - p4 6d 2 51.32 -1.59 n i p4 8s - p4 7d 2 42.56 -1.47 n i p4 8s - p4 8d 2 37.05 -1.32 n i p4 8s - p4 9d 2 32.24 -1.18 n i p4 8s - p4 10d 2 28.25 -1.06 n i p4 8s - p4 11d 2 24.96 -0.96 n i p4 8s - p4 12d 2 22.24 -0.86 n i p4 8s - sp4 2 1156.97 212.33 n i p4 8s - sp3 3p 2 671.85 406.08 n i p4 8s - sp3 4p 2 491.11 231.33 n i p4 8s - sp3 5p 2 377.70 155.14 n i p4 8s - sp3 6p 2 304.26 113.48 n i p4 8s - sp3 7p 2 255.60 87.71 n i p4 8s - sp3 8p 2 266.17 70.44 n i p4 8s - sp3 9p 2 217.19 58.20 n i p4 8s - sp3 10p 2 182.67 49.14 n i p4 8s - sp3 11p 2 156.59 42.22 n i p4 8s - sp3 12p 2 136.23 36.78 n i p4 8s - sp3 13p 2 119.97 32.42 n i p4 8s - sp3 14p 2 106.72 28.86 n i p4 9s - p4 10s 2 0.00 31.25 n i p4 9s - p4 11s 2 0.00 26.61 n i p4 9s - p4 12s 2 0.00 23.01 n i p4 9s - p4 13s 2 0.00 20.15 n i p4 9s - p4 3d 2 72.15 0.85 n i p4 9s - p4 4d 2 61.99 -0.85 n i p4 9s - p4 5d 2 50.43 -1.24 n i p4 9s - p4 6d 2 41.30 -1.25 n i p4 9s - p4 7d 2 34.37 -1.16 n i p4 9s - p4 8d 2 29.01 -1.05 n i p4 9s - p4 9d 2 25.40 -0.94 n i p4 9s - p4 10d 2 22.31 -0.85 n i p4 9s - p4 11d 2 19.74 -0.76 n i p4 9s - p4 12d 2 17.61 -0.69 n i p4 9s - sp4 2 941.99 172.84 n i p4 9s - sp3 3p 2 541.62 330.70 n i p4 9s - sp3 4p 2 394.49 188.40 n i p4 9s - sp3 5p 2 301.92 126.35 n i p4 9s - sp3 6p 2 241.42 92.43 n i p4 9s - sp3 7p 2 200.23 71.44 n i p4 9s - sp3 8p 2 171.74 57.38 n i p4 9s - sp3 9p 2 177.66 47.40 n i p4 9s - sp3 10p 2 148.66 40.03 n i p4 9s - sp3 11p 2 127.41 34.39 n i p4 9s - sp3 12p 2 110.87 29.96 n i p4 9s - sp3 13p 2 97.66 26.41 n i p4 9s - sp3 14p 2 86.89 23.51 n i p4 10s - p4 11s 2 0.00 22.22 n i p4 10s - p4 12s 2 0.00 19.22 n i p4 10s - p4 13s 2 0.00 16.83 n i p4 10s - p4 3d 2 59.67 0.75 n i p4 10s - p4 4d 2 51.27 -0.68 n i p4 10s - p4 5d 2 41.71 -1.01 n i p4 10s - p4 6d 2 34.16 -1.02 n i p4 10s - p4 7d 2 28.43 -0.95 n i p4 10s - p4 8d 2 24.06 -0.86 n i p4 10s - p4 9d 2 20.62 -0.77 n i p4 10s - p4 10d 2 18.19 -0.69 n i p4 10s - p4 11d 2 16.12 -0.63 n i p4 10s - p4 12d 2 14.39 -0.57 n i p4 10s - sp4 2 786.24 144.24 n i p4 10s - sp3 3p 2 448.65 276.06 n i p4 10s - sp3 4p 2 326.03 157.28 n i p4 10s - sp3 5p 2 248.79 105.49 n i p4 10s - sp3 6p 2 198.13 77.16 n i p4 10s - sp3 7p 2 163.31 59.64 n i p4 10s - sp3 8p 2 138.55 47.90 n i p4 10s - sp3 9p 2 120.82 39.57 n i p4 10s - sp3 10p 2 124.39 33.42 n i p4 10s - sp3 11p 2 106.15 28.71 n i p4 10s - sp3 12p 2 92.36 25.01 n i p4 10s - sp3 13p 2 81.37 22.05 n i p4 10s - sp3 14p 2 72.42 19.63 n i p4 11s - p4 12s 2 0.00 16.36 n i p4 11s - p4 13s 2 0.00 14.33 n i p4 11s - p4 3d 2 50.40 0.66 n i p4 11s - p4 4d 2 43.32 -0.56 n i p4 11s - p4 5d 2 35.24 -0.84 n i p4 11s - p4 6d 2 28.86 -0.86 n i p4 11s - p4 7d 2 24.02 -0.80 n i p4 11s - p4 8d 2 20.33 -0.72 n i p4 11s - p4 9d 2 17.46 -0.65 n i p4 11s - p4 10d 2 15.17 -0.58 n i p4 11s - p4 11d 2 13.48 -0.53 n i p4 11s - p4 12d 2 12.04 -0.48 n i p4 11s - sp4 2 669.13 122.74 n i p4 11s - sp3 3p 2 379.50 234.96 n i p4 11s - sp3 4p 2 275.37 133.87 n i p4 11s - sp3 5p 2 209.72 89.79 n i p4 11s - sp3 6p 2 166.60 65.68 n i p4 11s - sp3 7p 2 136.84 50.76 n i p4 11s - sp3 8p 2 115.48 40.77 n i p4 11s - sp3 9p 2 99.75 33.68 n i p4 11s - sp3 10p 2 88.17 28.44 n i p4 11s - sp3 11p 2 90.45 24.44 n i p4 11s - sp3 12p 2 78.40 21.29 n i p4 11s - sp3 13p 2 69.07 18.77 n i p4 11s - sp3 14p 2 61.48 16.71 n i p4 12s - p4 13s 2 0.00 12.39 n i p4 12s - p4 3d 2 43.29 0.59 n i p4 12s - p4 4d 2 37.22 -0.47 n i p4 12s - p4 5d 2 30.28 -0.72 n i p4 12s - p4 6d 2 24.79 -0.73 n i p4 12s - p4 7d 2 20.64 -0.68 n i p4 12s - p4 8d 2 17.47 -0.62 n i p4 12s - p4 9d 2 15.00 -0.56 n i p4 12s - p4 10d 2 13.06 -0.50 n i p4 12s - p4 11d 2 11.47 -0.45 n i p4 12s - p4 12d 2 10.27 -0.41 n i p4 12s - sp4 2 578.44 106.10 n i p4 12s - sp3 3p 2 326.41 203.13 n i p4 12s - sp3 4p 2 236.60 115.74 n i p4 12s - sp3 5p 2 179.96 77.62 n i p4 12s - sp3 6p 2 142.72 56.78 n i p4 12s - sp3 7p 2 116.97 43.89 n i p4 12s - sp3 8p 2 98.41 35.25 n i p4 12s - sp3 9p 2 84.61 29.12 n i p4 12s - sp3 10p 2 74.16 24.59 n i p4 12s - sp3 11p 2 66.28 21.13 n i p4 12s - sp3 12p 2 67.80 18.41 n i p4 12s - sp3 13p 2 59.53 16.22 n i p4 12s - sp3 14p 2 52.99 14.44 n i p4 13s - p4 3d 2 37.70 0.53 n i p4 13s - p4 4d 2 32.42 -0.40 n i p4 13s - p4 5d 2 26.38 -0.62 n i p4 13s - p4 6d 2 21.60 -0.64 n i p4 13s - p4 7d 2 17.98 -0.59 n i p4 13s - p4 8d 2 15.22 -0.54 n i p4 13s - p4 9d 2 13.07 -0.48 n i p4 13s - p4 10d 2 11.38 -0.43 n i p4 13s - p4 11d 2 10.01 -0.39 n i p4 13s - p4 12d 2 8.89 -0.35 n i p4 13s - sp4 2 506.52 92.90 n i p4 13s - sp3 3p 2 284.60 177.87 n i p4 13s - sp3 4p 2 206.14 101.35 n i p4 13s - sp3 5p 2 156.65 67.97 n i p4 13s - sp3 6p 2 124.09 49.72 n i p4 13s - sp3 7p 2 101.55 38.43 n i p4 13s - sp3 8p 2 85.27 30.87 n i p4 13s - sp3 9p 2 73.12 25.50 n i p4 13s - sp3 10p 2 63.82 21.53 n i p4 13s - sp3 11p 2 56.61 18.50 n i p4 13s - sp3 12p 2 51.06 16.12 n i p4 13s - sp3 13p 2 52.12 14.21 n i p4 13s - sp3 14p 2 46.26 12.65 n i s2p2 3d - s2p2 4d 4 0.00 677.30 181.97 101.60 n i s2p2 3d - s2p2 5d 4 0.00 471.88 142.17 79.42 n i s2p2 3d - s2p2 6d 4 0.00 354.99 113.54 63.44 n i s2p2 3d - s2p2 7d 4 0.00 280.16 92.92 51.93 n i s2p2 3d - s2p2 8d 4 0.00 228.64 77.70 43.43 n i s2p2 3d - s2p2 9d 4 0.00 191.31 66.15 36.98 n i s2p2 3d - s2p2 10d 4 0.00 163.20 57.17 31.96 n i s2p2 3d - s2p2 11d 4 0.00 141.40 50.04 27.97 n i s2p2 3d - s2p2 12d 4 0.00 124.07 44.26 24.75 n i s2p2 3d - p4 3d 1 97087.71 n i s2p2 3d - p4 4d 1 0.00 n i s2p2 3d - p4 5d 1 0.00 n i s2p2 3d - p4 6d 1 0.00 n i s2p2 3d - p4 7d 1 0.00 n i s2p2 3d - p4 8d 1 0.00 n i s2p2 3d - p4 9d 1 0.00 n i s2p2 3d - p4 10d 1 0.00 n i s2p2 3d - p4 11d 1 0.00 n i s2p2 3d - p4 12d 1 0.00 n i s2p2 3d - s2p2 5g 2 68.78 0.47 n i s2p2 3d - s2p2 6g 2 64.53 0.50 n i s2p2 3d - s2p2 7g 2 56.04 0.46 n i s2p2 3d - s2p2 8g 2 48.18 0.41 n i s2p2 3d - s2p2 9g 2 41.63 0.37 n i s2p2 3d - sp4 1 -4085.50 n i s2p2 3d - sp3 3p 2 4895.29 -346.34 n i s2p2 3d - sp3 4p 2 806.03 -177.45 n i s2p2 3d - sp3 5p 2 503.00 -113.70 n i s2p2 3d - sp3 6p 2 348.25 -81.18 n i s2p2 3d - sp3 7p 2 259.73 -61.83 n i s2p2 3d - sp3 8p 2 203.44 -49.18 n i s2p2 3d - sp3 9p 2 164.95 -40.36 n i s2p2 3d - sp3 10p 2 137.24 -33.91 n i s2p2 3d - sp3 11p 2 116.48 -29.03 n i s2p2 3d - sp3 12p 2 100.46 -25.22 n i s2p2 3d - sp3 13p 2 87.79 -22.18 n i s2p2 3d - sp3 14p 2 77.56 -19.71 n i s2p2 3d - sp3 4f 2 -1643.90 -6.87 n i s2p2 3d - sp3 5f 2 -1150.61 -6.41 n i s2p2 3d - sp3 6f 2 -859.85 -5.50 n i s2p2 3d - sp3 7f 2 -674.60 -4.67 n i s2p2 3d - sp3 8f 2 -548.05 -3.99 n i s2p2 3d - sp3 9f 2 -456.98 -3.44 n i s2p2 4d - s2p2 5d 4 0.00 361.51 113.70 63.63 n i s2p2 4d - s2p2 6d 4 0.00 273.09 90.83 50.85 n i s2p2 4d - s2p2 7d 4 0.00 216.15 74.35 41.64 n i s2p2 4d - s2p2 8d 4 0.00 176.75 62.18 34.83 n i s2p2 4d - s2p2 9d 4 0.00 148.11 52.94 29.66 n i s2p2 4d - s2p2 10d 4 0.00 126.49 45.76 25.64 n i s2p2 4d - s2p2 11d 4 0.00 109.69 40.05 22.44 n i s2p2 4d - s2p2 12d 4 0.00 96.32 35.43 19.85 n i s2p2 4d - p4 3d 1 0.00 n i s2p2 4d - p4 4d 1 97097.68 n i s2p2 4d - p4 5d 1 0.00 n i s2p2 4d - p4 6d 1 0.00 n i s2p2 4d - p4 7d 1 0.00 n i s2p2 4d - p4 8d 1 0.00 n i s2p2 4d - p4 9d 1 0.00 n i s2p2 4d - p4 10d 1 0.00 n i s2p2 4d - p4 11d 1 0.00 n i s2p2 4d - p4 12d 1 0.00 n i s2p2 4d - s2p2 5g 2 -17.81 0.36 n i s2p2 4d - s2p2 6g 2 -3.38 0.38 n i s2p2 4d - s2p2 7g 2 1.99 0.36 n i s2p2 4d - s2p2 8g 2 4.01 0.32 n i s2p2 4d - s2p2 9g 2 4.68 0.28 n i s2p2 4d - sp4 1 -3283.10 n i s2p2 4d - sp3 3p 2 2692.67 -288.26 n i s2p2 4d - sp3 4p 2 1601.54 -148.35 n i s2p2 4d - sp3 5p 2 454.87 -95.25 n i s2p2 4d - sp3 6p 2 318.44 -68.07 n i s2p2 4d - sp3 7p 2 236.28 -51.88 n i s2p2 4d - sp3 8p 2 184.43 -41.29 n i s2p2 4d - sp3 9p 2 149.22 -33.89 n i s2p2 4d - sp3 10p 2 123.99 -28.49 n i s2p2 4d - sp3 11p 2 105.16 -24.39 n i s2p2 4d - sp3 12p 2 90.66 -21.19 n i s2p2 4d - sp3 13p 2 79.20 -18.64 n i s2p2 4d - sp3 14p 2 69.96 -16.56 n i s2p2 4d - sp3 4f 2 23.81 -5.44 n i s2p2 4d - sp3 5f 2 -467.37 -5.08 n i s2p2 4d - sp3 6f 2 -417.23 -4.36 n i s2p2 4d - sp3 7f 2 -349.80 -3.70 n i s2p2 4d - sp3 8f 2 -294.01 -3.16 n i s2p2 4d - sp3 9f 2 -250.19 -2.73 n i s2p2 5d - s2p2 6d 4 0.00 208.18 71.02 39.80 n i s2p2 5d - s2p2 7d 4 0.00 165.01 58.14 32.59 n i s2p2 5d - s2p2 8d 4 0.00 135.10 48.63 27.26 n i s2p2 5d - s2p2 9d 4 0.00 113.31 41.41 23.22 n i s2p2 5d - s2p2 10d 4 0.00 96.84 35.79 20.07 n i s2p2 5d - s2p2 11d 4 0.00 84.02 31.32 17.57 n i s2p2 5d - s2p2 12d 4 0.00 73.81 27.71 15.54 n i s2p2 5d - p4 3d 1 0.00 n i s2p2 5d - p4 4d 1 0.00 n i s2p2 5d - p4 5d 1 97104.15 n i s2p2 5d - p4 6d 1 0.00 n i s2p2 5d - p4 7d 1 0.00 n i s2p2 5d - p4 8d 1 0.00 n i s2p2 5d - p4 9d 1 0.00 n i s2p2 5d - p4 10d 1 0.00 n i s2p2 5d - p4 11d 1 0.00 n i s2p2 5d - p4 12d 1 0.00 n i s2p2 5d - s2p2 5g 2 -0.29 0.28 n i s2p2 5d - s2p2 6g 2 -6.52 0.30 n i s2p2 5d - s2p2 7g 2 -4.15 0.27 n i s2p2 5d - s2p2 8g 2 -2.45 0.25 n i s2p2 5d - s2p2 9g 2 -1.42 0.22 n i s2p2 5d - sp4 1 -2573.07 n i s2p2 5d - sp3 3p 2 1787.23 -229.55 n i s2p2 5d - sp3 4p 2 1118.68 -118.37 n i s2p2 5d - sp3 5p 2 710.77 -76.06 n i s2p2 5d - sp3 6p 2 268.31 -54.39 n i s2p2 5d - sp3 7p 2 201.50 -41.47 n i s2p2 5d - sp3 8p 2 156.76 -33.00 n i s2p2 5d - sp3 9p 2 126.50 -27.10 n i s2p2 5d - sp3 10p 2 104.93 -22.78 n i s2p2 5d - sp3 11p 2 88.89 -19.50 n i s2p2 5d - sp3 12p 2 76.56 -16.94 n i s2p2 5d - sp3 13p 2 66.85 -14.90 n i s2p2 5d - sp3 14p 2 59.03 -13.24 n i s2p2 5d - sp3 4f 2 -45.86 -4.23 n i s2p2 5d - sp3 5f 2 19.03 -3.96 n i s2p2 5d - sp3 6f 2 -172.28 -3.39 n i s2p2 5d - sp3 7f 2 -174.32 -2.88 n i s2p2 5d - sp3 8f 2 -157.18 -2.46 n i s2p2 5d - sp3 9f 2 -138.68 -2.12 n i s2p2 6d - s2p2 7d 4 0.00 129.68 46.46 26.06 n i s2p2 6d - s2p2 8d 4 0.00 106.24 38.86 21.80 n i s2p2 6d - s2p2 9d 4 0.00 89.15 33.09 18.56 n i s2p2 6d - s2p2 10d 4 0.00 76.23 28.60 16.05 n i s2p2 6d - s2p2 11d 4 0.00 66.16 25.03 14.05 n i s2p2 6d - s2p2 12d 4 0.00 58.14 22.15 12.43 n i s2p2 6d - p4 3d 1 0.00 n i s2p2 6d - p4 4d 1 0.00 n i s2p2 6d - p4 5d 1 0.00 n i s2p2 6d - p4 6d 1 97107.74 n i s2p2 6d - p4 7d 1 0.00 n i s2p2 6d - p4 8d 1 0.00 n i s2p2 6d - p4 9d 1 0.00 n i s2p2 6d - p4 10d 1 0.00 n i s2p2 6d - p4 11d 1 0.00 n i s2p2 6d - p4 12d 1 0.00 n i s2p2 6d - s2p2 5g 2 -0.05 0.22 n i s2p2 6d - s2p2 6g 2 -0.26 0.23 n i s2p2 6d - s2p2 7g 2 -2.69 0.22 n i s2p2 6d - s2p2 8g 2 -2.32 0.19 n i s2p2 6d - s2p2 9g 2 -1.81 0.17 n i s2p2 6d - sp4 1 -2058.61 n i s2p2 6d - sp3 3p 2 1303.89 -185.29 n i s2p2 6d - sp3 4p 2 834.71 -95.65 n i s2p2 6d - sp3 5p 2 550.05 -61.50 n i s2p2 6d - sp3 6p 2 374.65 -43.98 n i s2p2 6d - sp3 7p 2 169.01 -33.54 n i s2p2 6d - sp3 8p 2 133.11 -26.70 n i s2p2 6d - sp3 9p 2 107.19 -21.92 n i s2p2 6d - sp3 10p 2 88.73 -18.42 n i s2p2 6d - sp3 11p 2 75.06 -15.77 n i s2p2 6d - sp3 12p 2 64.58 -13.71 n i s2p2 6d - sp3 13p 2 56.35 -12.06 n i s2p2 6d - sp3 14p 2 49.73 -10.71 n i s2p2 6d - sp3 4f 2 -37.61 -3.37 n i s2p2 6d - sp3 5f 2 -27.14 -3.15 n i s2p2 6d - sp3 6f 2 13.86 -2.70 n i s2p2 6d - sp3 7f 2 -74.79 -2.30 n i s2p2 6d - sp3 8f 2 -82.37 -1.96 n i s2p2 6d - sp3 9f 2 -78.27 -1.69 n i s2p2 7d - s2p2 8d 4 0.00 85.98 31.81 17.85 n i s2p2 7d - s2p2 9d 4 0.00 72.17 27.09 15.20 n i s2p2 7d - s2p2 10d 4 0.00 61.73 23.42 13.14 n i s2p2 7d - s2p2 11d 4 0.00 53.59 20.50 11.51 n i s2p2 7d - s2p2 12d 4 0.00 47.11 18.13 10.18 n i s2p2 7d - p4 3d 1 0.00 n i s2p2 7d - p4 4d 1 0.00 n i s2p2 7d - p4 5d 1 0.00 n i s2p2 7d - p4 6d 1 0.00 n i s2p2 7d - p4 7d 1 97109.80 n i s2p2 7d - p4 8d 1 0.00 n i s2p2 7d - p4 9d 1 0.00 n i s2p2 7d - p4 10d 1 0.00 n i s2p2 7d - p4 11d 1 0.00 n i s2p2 7d - p4 12d 1 0.00 n i s2p2 7d - s2p2 5g 2 0.05 0.18 n i s2p2 7d - s2p2 6g 2 -0.11 0.19 n i s2p2 7d - s2p2 7g 2 -0.21 0.18 n i s2p2 7d - s2p2 8g 2 -1.26 0.16 n i s2p2 7d - s2p2 9g 2 -1.26 0.14 n i s2p2 7d - sp4 1 -1686.77 n i s2p2 7d - sp3 3p 2 1008.09 -152.67 n i s2p2 7d - sp3 4p 2 653.72 -78.87 n i s2p2 7d - sp3 5p 2 437.59 -50.72 n i s2p2 7d - sp3 6p 2 307.00 -36.28 n i s2p2 7d - sp3 7p 2 220.84 -27.67 n i s2p2 7d - sp3 8p 2 112.63 -22.03 n i s2p2 7d - sp3 9p 2 91.79 -18.09 n i s2p2 7d - sp3 10p 2 75.89 -15.20 n i s2p2 7d - sp3 11p 2 64.10 -13.02 n i s2p2 7d - sp3 12p 2 55.09 -11.31 n i s2p2 7d - sp3 13p 2 48.03 -9.95 n i s2p2 7d - sp3 14p 2 42.36 -8.84 n i s2p2 7d - sp3 4f 2 -29.70 -2.76 n i s2p2 7d - sp3 5f 2 -25.09 -2.58 n i s2p2 7d - sp3 6f 2 -15.26 -2.21 n i s2p2 7d - sp3 7f 2 10.07 -1.88 n i s2p2 7d - sp3 8f 2 -36.26 -1.60 n i s2p2 7d - sp3 9f 2 -42.72 -1.38 n i s2p2 8d - s2p2 9d 4 0.00 59.85 22.66 12.72 n i s2p2 8d - s2p2 10d 4 0.00 51.20 19.58 11.00 n i s2p2 8d - s2p2 11d 4 0.00 44.46 17.14 9.63 n i s2p2 8d - s2p2 12d 4 0.00 39.08 15.17 8.52 n i s2p2 8d - p4 3d 1 0.00 n i s2p2 8d - p4 4d 1 0.00 n i s2p2 8d - p4 5d 1 0.00 n i s2p2 8d - p4 6d 1 0.00 n i s2p2 8d - p4 7d 1 0.00 n i s2p2 8d - p4 8d 1 97111.06 n i s2p2 8d - p4 9d 1 0.00 n i s2p2 8d - p4 10d 1 0.00 n i s2p2 8d - p4 11d 1 0.00 n i s2p2 8d - p4 12d 1 0.00 n i s2p2 8d - s2p2 5g 2 0.07 0.15 n i s2p2 8d - s2p2 6g 2 -0.03 0.16 n i s2p2 8d - s2p2 7g 2 -0.12 0.15 n i s2p2 8d - s2p2 8g 2 -0.17 0.13 n i s2p2 8d - s2p2 9g 2 -0.67 0.12 n i s2p2 8d - sp4 1 -1411.54 n i s2p2 8d - sp3 3p 2 810.78 -128.24 n i s2p2 8d - sp3 4p 2 530.24 -66.28 n i s2p2 8d - sp3 5p 2 358.04 -42.63 n i s2p2 8d - sp3 6p 2 254.43 -30.50 n i s2p2 8d - sp3 7p 2 187.68 -23.26 n i s2p2 8d - sp3 8p 2 140.82 -18.52 n i s2p2 8d - sp3 9p 2 78.57 -15.21 n i s2p2 8d - sp3 10p 2 65.71 -12.78 n i s2p2 8d - sp3 11p 2 55.46 -10.94 n i s2p2 8d - sp3 12p 2 47.61 -9.51 n i s2p2 8d - sp3 13p 2 41.47 -8.37 n i s2p2 8d - sp3 14p 2 36.55 -7.43 n i s2p2 8d - sp3 4f 2 -23.91 -2.30 n i s2p2 8d - sp3 5f 2 -21.17 -2.15 n i s2p2 8d - sp3 6f 2 -15.56 -1.85 n i s2p2 8d - sp3 7f 2 -8.67 -1.57 n i s2p2 8d - sp3 8f 2 7.44 -1.34 n i s2p2 8d - sp3 9f 2 -19.00 -1.16 n i s2p2 9d - s2p2 10d 4 0.00 43.31 16.68 9.37 n i s2p2 9d - s2p2 11d 4 0.00 37.61 14.60 8.20 n i s2p2 9d - s2p2 12d 4 0.00 33.07 12.91 7.25 n i s2p2 9d - p4 3d 1 0.00 n i s2p2 9d - p4 4d 1 0.00 n i s2p2 9d - p4 5d 1 0.00 n i s2p2 9d - p4 6d 1 0.00 n i s2p2 9d - p4 7d 1 0.00 n i s2p2 9d - p4 8d 1 0.00 n i s2p2 9d - p4 9d 1 97111.85 n i s2p2 9d - p4 10d 1 0.00 n i s2p2 9d - p4 11d 1 0.00 n i s2p2 9d - p4 12d 1 0.00 n i s2p2 9d - s2p2 5g 2 0.07 0.13 n i s2p2 9d - s2p2 6g 2 0.00 0.13 n i s2p2 9d - s2p2 7g 2 -0.06 0.12 n i s2p2 9d - s2p2 8g 2 -0.11 0.11 n i s2p2 9d - s2p2 9g 2 -0.13 0.10 n i s2p2 9d - sp4 1 -1202.41 n i s2p2 9d - sp3 3p 2 671.07 -109.54 n i s2p2 9d - sp3 4p 2 441.54 -56.63 n i s2p2 9d - sp3 5p 2 299.82 -36.43 n i s2p2 9d - sp3 6p 2 214.58 -26.07 n i s2p2 9d - sp3 7p 2 160.03 -19.88 n i s2p2 9d - sp3 8p 2 122.73 -15.83 n i s2p2 9d - sp3 9p 2 95.19 -13.00 n i s2p2 9d - sp3 10p 2 56.88 -10.93 n i s2p2 9d - sp3 11p 2 48.54 -9.35 n i s2p2 9d - sp3 12p 2 41.66 -8.13 n i s2p2 9d - sp3 13p 2 36.25 -7.15 n i s2p2 9d - sp3 14p 2 31.92 -6.35 n i s2p2 9d - sp3 4f 2 -19.68 -1.96 n i s2p2 9d - sp3 5f 2 -17.79 -1.83 n i s2p2 9d - sp3 6f 2 -13.85 -1.57 n i s2p2 9d - sp3 7f 2 -9.67 -1.33 n i s2p2 9d - sp3 8f 2 -5.01 -1.14 n i s2p2 9d - sp3 9f 2 5.62 -0.98 n i s2p2 10d - s2p2 11d 4 0.00 32.34 12.62 7.09 n i s2p2 10d - s2p2 12d 4 0.00 28.44 11.16 6.27 n i s2p2 10d - p4 3d 1 0.00 n i s2p2 10d - p4 4d 1 0.00 n i s2p2 10d - p4 5d 1 0.00 n i s2p2 10d - p4 6d 1 0.00 n i s2p2 10d - p4 7d 1 0.00 n i s2p2 10d - p4 8d 1 0.00 n i s2p2 10d - p4 9d 1 0.00 n i s2p2 10d - p4 10d 1 97112.38 n i s2p2 10d - p4 11d 1 0.00 n i s2p2 10d - p4 12d 1 0.00 n i s2p2 10d - s2p2 5g 2 0.07 0.11 n i s2p2 10d - s2p2 6g 2 0.02 0.12 n i s2p2 10d - s2p2 7g 2 -0.03 0.11 n i s2p2 10d - s2p2 8g 2 -0.07 0.10 n i s2p2 10d - s2p2 9g 2 -0.10 0.09 n i s2p2 10d - sp4 1 -1039.62 n i s2p2 10d - sp3 3p 2 567.71 -94.90 n i s2p2 10d - sp3 4p 2 375.24 -49.08 n i s2p2 10d - sp3 5p 2 255.81 -31.58 n i s2p2 10d - sp3 6p 2 183.92 -22.59 n i s2p2 10d - sp3 7p 2 138.01 -17.23 n i s2p2 10d - sp3 8p 2 106.87 -13.72 n i s2p2 10d - sp3 9p 2 84.51 -11.27 n i s2p2 10d - sp3 10p 2 67.30 -9.47 n i s2p2 10d - sp3 11p 2 42.46 -8.11 n i s2p2 10d - sp3 12p 2 36.82 -7.05 n i s2p2 10d - sp3 13p 2 32.04 -6.20 n i s2p2 10d - sp3 14p 2 28.20 -5.51 n i s2p2 10d - sp3 4f 2 -16.53 -1.69 n i s2p2 10d - sp3 5f 2 -15.11 -1.58 n i s2p2 10d - sp3 6f 2 -12.07 -1.36 n i s2p2 10d - sp3 7f 2 -9.01 -1.15 n i s2p2 10d - sp3 8f 2 -6.10 -0.99 n i s2p2 10d - sp3 9f 2 -2.93 -0.85 n i s2p2 11d - s2p2 12d 4 0.00 24.79 9.77 5.49 n i s2p2 11d - p4 3d 1 0.00 n i s2p2 11d - p4 4d 1 0.00 n i s2p2 11d - p4 5d 1 0.00 n i s2p2 11d - p4 6d 1 0.00 n i s2p2 11d - p4 7d 1 0.00 n i s2p2 11d - p4 8d 1 0.00 n i s2p2 11d - p4 9d 1 0.00 n i s2p2 11d - p4 10d 1 0.00 n i s2p2 11d - p4 11d 1 97112.75 n i s2p2 11d - p4 12d 1 0.00 n i s2p2 11d - s2p2 5g 2 0.06 0.10 n i s2p2 11d - s2p2 6g 2 0.02 0.10 n i s2p2 11d - s2p2 7g 2 -0.02 0.09 n i s2p2 11d - s2p2 8g 2 -0.05 0.08 n i s2p2 11d - s2p2 9g 2 -0.07 0.08 n i s2p2 11d - sp4 1 -910.18 n i s2p2 11d - sp3 3p 2 488.61 -83.22 n i s2p2 11d - sp3 4p 2 324.13 -43.04 n i s2p2 11d - sp3 5p 2 221.61 -27.70 n i s2p2 11d - sp3 6p 2 159.84 -19.82 n i s2p2 11d - sp3 7p 2 120.41 -15.12 n i s2p2 11d - sp3 8p 2 93.75 -12.03 n i s2p2 11d - sp3 9p 2 74.78 -9.88 n i s2p2 11d - sp3 10p 2 60.60 -8.31 n i s2p2 11d - sp3 11p 2 49.32 -7.11 n i s2p2 11d - sp3 12p 2 32.51 -6.18 n i s2p2 11d - sp3 13p 2 28.57 -5.44 n i s2p2 11d - sp3 14p 2 25.15 -4.83 n i s2p2 11d - sp3 4f 2 -14.11 -1.48 n i s2p2 11d - sp3 5f 2 -12.98 -1.38 n i s2p2 11d - sp3 6f 2 -10.52 -1.19 n i s2p2 11d - sp3 7f 2 -8.10 -1.01 n i s2p2 11d - sp3 8f 2 -5.93 -0.86 n i s2p2 11d - sp3 9f 2 -3.92 -0.74 n i s2p2 12d - p4 3d 1 0.00 n i s2p2 12d - p4 4d 1 0.00 n i s2p2 12d - p4 5d 1 0.00 n i s2p2 12d - p4 6d 1 0.00 n i s2p2 12d - p4 7d 1 0.00 n i s2p2 12d - p4 8d 1 0.00 n i s2p2 12d - p4 9d 1 0.00 n i s2p2 12d - p4 10d 1 0.00 n i s2p2 12d - p4 11d 1 0.00 n i s2p2 12d - p4 12d 1 97113.01 n i s2p2 12d - s2p2 5g 2 0.06 0.08 n i s2p2 12d - s2p2 6g 2 0.02 0.09 n i s2p2 12d - s2p2 7g 2 -0.01 0.08 n i s2p2 12d - s2p2 8g 2 -0.04 0.07 n i s2p2 12d - s2p2 9g 2 -0.05 0.07 n i s2p2 12d - sp4 1 -805.38 n i s2p2 12d - sp3 3p 2 426.43 -73.73 n i s2p2 12d - sp3 4p 2 283.72 -38.14 n i s2p2 12d - sp3 5p 2 194.42 -24.54 n i s2p2 12d - sp3 6p 2 140.56 -17.56 n i s2p2 12d - sp3 7p 2 106.17 -13.40 n i s2p2 12d - sp3 8p 2 82.95 -10.67 n i s2p2 12d - sp3 9p 2 66.49 -8.76 n i s2p2 12d - sp3 10p 2 54.31 -7.36 n i s2p2 12d - sp3 11p 2 44.91 -6.30 n i s2p2 12d - sp3 12p 2 37.21 -5.48 n i s2p2 12d - sp3 13p 2 25.43 -4.82 n i s2p2 12d - sp3 14p 2 22.60 -4.28 n i s2p2 12d - sp3 4f 2 -12.22 -1.31 n i s2p2 12d - sp3 5f 2 -11.29 -1.22 n i s2p2 12d - sp3 6f 2 -9.22 -1.05 n i s2p2 12d - sp3 7f 2 -7.23 -0.89 n i s2p2 12d - sp3 8f 2 -5.48 -0.76 n i s2p2 12d - sp3 9f 2 -3.96 -0.66 n i p4 3d - p4 4d 4 0.00 707.74 199.70 111.61 n i p4 3d - p4 5d 4 0.00 494.49 156.63 87.58 n i p4 3d - p4 6d 4 0.00 372.51 125.36 70.12 n i p4 3d - p4 7d 4 0.00 294.19 102.74 57.48 n i p4 3d - p4 8d 4 0.00 240.17 85.98 48.11 n i p4 3d - p4 9d 4 0.00 200.98 73.25 40.99 n i p4 3d - p4 10d 4 0.00 171.46 63.33 35.44 n i p4 3d - p4 11d 4 0.00 148.55 55.44 31.03 n i p4 3d - p4 12d 4 0.00 130.34 49.06 27.46 n i p4 3d - p4 5g 2 70.04 0.50 n i p4 3d - p4 6g 2 65.75 0.53 n i p4 3d - p4 7g 2 57.11 0.50 n i p4 3d - p4 8g 2 49.12 0.45 n i p4 3d - p4 9g 2 42.45 0.40 n i p4 3d - sp4 2 -4232.28 -2382.54 n i p4 3d - sp3 3p 2 4879.68 -187.94 n i p4 3d - sp3 4p 2 815.77 -92.74 n i p4 3d - sp3 5p 2 508.68 -58.35 n i p4 3d - sp3 6p 2 352.32 -41.23 n i p4 3d - sp3 7p 2 262.87 -31.20 n i p4 3d - sp3 8p 2 205.96 -24.71 n i p4 3d - sp3 9p 2 167.03 -20.22 n i p4 3d - sp3 10p 2 138.99 -16.95 n i p4 3d - sp3 11p 2 117.99 -14.49 n i p4 3d - sp3 12p 2 101.78 -12.57 n i p4 3d - sp3 13p 2 88.95 -11.04 n i p4 3d - sp3 14p 2 78.59 -9.80 n i p4 3d - sp3 4f 2 -1632.45 -9.25 n i p4 3d - sp3 5f 2 -1144.10 -8.61 n i p4 3d - sp3 6f 2 -855.50 -7.37 n i p4 3d - sp3 7f 2 -671.42 -6.25 n i p4 3d - sp3 8f 2 -545.58 -5.33 n i p4 3d - sp3 9f 2 -454.99 -4.60 n i p4 4d - p4 5d 4 0.00 381.28 126.25 70.73 n i p4 4d - p4 6d 4 0.00 288.57 101.08 56.66 n i p4 4d - p4 7d 4 0.00 228.63 82.85 46.45 n i p4 4d - p4 8d 4 0.00 187.07 69.35 38.89 n i p4 4d - p4 9d 4 0.00 156.81 59.08 33.14 n i p4 4d - p4 10d 4 0.00 133.95 51.09 28.66 n i p4 4d - p4 11d 4 0.00 116.17 44.73 25.09 n i p4 4d - p4 12d 4 0.00 102.02 39.58 22.20 n i p4 4d - p4 5g 2 -18.42 0.39 n i p4 4d - p4 6g 2 -3.74 0.42 n i p4 4d - p4 7g 2 1.78 0.39 n i p4 4d - p4 8g 2 3.88 0.35 n i p4 4d - p4 9g 2 4.59 0.31 n i p4 4d - sp4 2 -3432.38 -1975.99 n i p4 4d - sp3 3p 2 2682.67 -162.04 n i p4 4d - sp3 4p 2 1608.43 -80.62 n i p4 4d - sp3 5p 2 464.92 -50.92 n i p4 4d - sp3 6p 2 324.87 -36.06 n i p4 4d - sp3 7p 2 241.08 -27.33 n i p4 4d - sp3 8p 2 188.22 -21.66 n i p4 4d - sp3 9p 2 152.33 -17.74 n i p4 4d - sp3 10p 2 126.60 -14.88 n i p4 4d - sp3 11p 2 107.40 -12.72 n i p4 4d - sp3 12p 2 92.60 -11.04 n i p4 4d - sp3 13p 2 80.91 -9.70 n i p4 4d - sp3 14p 2 71.48 -8.61 n i p4 4d - sp3 4f 2 29.17 -7.45 n i p4 4d - sp3 5f 2 -460.02 -6.93 n i p4 4d - sp3 6f 2 -412.17 -5.94 n i p4 4d - sp3 7f 2 -346.09 -5.04 n i p4 4d - sp3 8f 2 -291.14 -4.30 n i p4 4d - sp3 9f 2 -247.87 -3.71 n i p4 5d - p4 6d 4 0.00 220.69 79.35 44.52 n i p4 5d - p4 7d 4 0.00 175.16 65.05 36.51 n i p4 5d - p4 8d 4 0.00 143.51 54.45 30.57 n i p4 5d - p4 9d 4 0.00 120.42 46.39 26.05 n i p4 5d - p4 10d 4 0.00 102.94 40.11 22.53 n i p4 5d - p4 11d 4 0.00 89.34 35.12 19.72 n i p4 5d - p4 12d 4 0.00 78.49 31.08 17.45 n i p4 5d - p4 5g 2 -0.35 0.30 n i p4 5d - p4 6g 2 -6.78 0.32 n i p4 5d - p4 7g 2 -4.40 0.30 n i p4 5d - p4 8g 2 -2.65 0.27 n i p4 5d - p4 9g 2 -1.59 0.24 n i p4 5d - sp4 2 -2702.40 -1571.65 n i p4 5d - sp3 3p 2 1778.04 -131.11 n i p4 5d - sp3 4p 2 1122.51 -65.46 n i p4 5d - sp3 5p 2 718.38 -41.41 n i p4 5d - sp3 6p 2 275.90 -29.35 n i p4 5d - sp3 7p 2 206.70 -22.26 n i p4 5d - sp3 8p 2 160.78 -17.65 n i p4 5d - sp3 9p 2 129.76 -14.46 n i p4 5d - sp3 10p 2 107.65 -12.13 n i p4 5d - sp3 11p 2 91.20 -10.37 n i p4 5d - sp3 12p 2 78.57 -9.00 n i p4 5d - sp3 13p 2 68.61 -7.91 n i p4 5d - sp3 14p 2 60.59 -7.02 n i p4 5d - sp3 4f 2 -42.74 -5.84 n i p4 5d - sp3 5f 2 23.55 -5.44 n i p4 5d - sp3 6f 2 -166.97 -4.66 n i p4 5d - sp3 7f 2 -170.26 -3.95 n i p4 5d - sp3 8f 2 -153.98 -3.37 n i p4 5d - sp3 9f 2 -136.08 -2.91 n i p4 6d - p4 7d 4 0.00 137.91 52.09 29.25 n i p4 6d - p4 8d 4 0.00 113.07 43.61 24.49 n i p4 6d - p4 9d 4 0.00 94.94 37.15 20.87 n i p4 6d - p4 10d 4 0.00 81.21 32.13 18.05 n i p4 6d - p4 11d 4 0.00 70.50 28.13 15.81 n i p4 6d - p4 12d 4 0.00 61.96 24.89 13.99 n i p4 6d - p4 5g 2 -0.10 0.24 n i p4 6d - p4 6g 2 -0.32 0.25 n i p4 6d - p4 7g 2 -2.81 0.24 n i p4 6d - p4 8g 2 -2.45 0.21 n i p4 6d - p4 9g 2 -1.94 0.19 n i p4 6d - sp4 2 -2167.69 -1267.86 n i p4 6d - sp3 3p 2 1295.29 -106.76 n i p4 6d - sp3 4p 2 836.98 -53.40 n i p4 6d - sp3 5p 2 555.07 -33.82 n i p4 6d - sp3 6p 2 380.62 -23.98 n i p4 6d - sp3 7p 2 174.50 -18.19 n i p4 6d - sp3 8p 2 137.06 -14.43 n i p4 6d - sp3 9p 2 110.33 -11.82 n i p4 6d - sp3 10p 2 91.33 -9.92 n i p4 6d - sp3 11p 2 77.26 -8.48 n i p4 6d - sp3 12p 2 66.49 -7.36 n i p4 6d - sp3 13p 2 58.02 -6.47 n i p4 6d - sp3 14p 2 51.21 -5.74 n i p4 6d - sp3 4f 2 -35.14 -4.68 n i p4 6d - sp3 5f 2 -24.39 -4.36 n i p4 6d - sp3 6f 2 17.24 -3.73 n i p4 6d - sp3 7f 2 -70.97 -3.16 n i p4 6d - sp3 8f 2 -79.27 -2.70 n i p4 6d - sp3 9f 2 -75.71 -2.33 n i p4 7d - p4 8d 4 0.00 91.61 35.75 20.09 n i p4 7d - p4 9d 4 0.00 76.95 30.46 17.12 n i p4 7d - p4 10d 4 0.00 65.84 26.34 14.81 n i p4 7d - p4 11d 4 0.00 57.18 23.06 12.97 n i p4 7d - p4 12d 4 0.00 50.27 20.41 11.47 n i p4 7d - p4 5g 2 0.00 0.20 n i p4 7d - p4 6g 2 -0.17 0.21 n i p4 7d - p4 7g 2 -0.26 0.19 n i p4 7d - p4 8g 2 -1.34 0.17 n i p4 7d - p4 9g 2 -1.34 0.15 n i p4 7d - sp4 2 -1778.98 -1044.24 n i p4 7d - sp3 3p 2 1000.12 -88.44 n i p4 7d - sp3 4p 2 655.08 -44.29 n i p4 7d - sp3 5p 2 441.25 -28.06 n i p4 7d - sp3 6p 2 311.25 -19.91 n i p4 7d - sp3 7p 2 225.29 -15.10 n i p4 7d - sp3 8p 2 116.64 -11.98 n i p4 7d - sp3 9p 2 94.79 -9.81 n i p4 7d - sp3 10p 2 78.33 -8.23 n i p4 7d - sp3 11p 2 66.15 -7.04 n i p4 7d - sp3 12p 2 56.86 -6.11 n i p4 7d - sp3 13p 2 49.57 -5.37 n i p4 7d - sp3 14p 2 43.72 -4.77 n i p4 7d - sp3 4f 2 -27.63 -3.83 n i p4 7d - sp3 5f 2 -22.87 -3.57 n i p4 7d - sp3 6f 2 -13.07 -3.06 n i p4 7d - sp3 7f 2 12.57 -2.59 n i p4 7d - sp3 8f 2 -33.49 -2.22 n i p4 7d - sp3 9f 2 -40.37 -1.91 n i p4 8d - p4 9d 4 0.00 63.86 25.50 14.34 n i p4 8d - p4 10d 4 0.00 54.65 22.05 12.40 n i p4 8d - p4 11d 4 0.00 47.47 19.31 10.86 n i p4 8d - p4 12d 4 0.00 41.74 17.08 9.61 n i p4 8d - p4 5g 2 0.03 0.16 n i p4 8d - p4 6g 2 -0.07 0.17 n i p4 8d - p4 7g 2 -0.17 0.16 n i p4 8d - p4 8g 2 -0.21 0.14 n i p4 8d - p4 9g 2 -0.71 0.13 n i p4 8d - sp4 2 -1490.26 -876.90 n i p4 8d - sp3 3p 2 803.44 -74.56 n i p4 8d - sp3 4p 2 531.05 -37.37 n i p4 8d - sp3 5p 2 360.86 -23.68 n i p4 8d - sp3 6p 2 257.72 -16.80 n i p4 8d - sp3 7p 2 191.01 -12.75 n i p4 8d - sp3 8p 2 144.15 -10.12 n i p4 8d - sp3 9p 2 81.55 -8.29 n i p4 8d - sp3 10p 2 68.01 -6.95 n i p4 8d - sp3 11p 2 57.37 -5.95 n i p4 8d - sp3 12p 2 49.24 -5.16 n i p4 8d - sp3 13p 2 42.88 -4.54 n i p4 8d - sp3 14p 2 37.80 -4.03 n i p4 8d - sp3 4f 2 -22.13 -3.21 n i p4 8d - sp3 5f 2 -19.29 -2.99 n i p4 8d - sp3 6f 2 -13.77 -2.56 n i p4 8d - sp3 7f 2 -6.98 -2.17 n i p4 8d - sp3 8f 2 9.32 -1.85 n i p4 8d - sp3 9f 2 -16.96 -1.60 n i p4 9d - p4 10d 4 0.00 46.26 18.79 10.57 n i p4 9d - p4 11d 4 0.00 40.18 16.45 9.25 n i p4 9d - p4 12d 4 0.00 35.33 14.56 8.19 n i p4 9d - p4 5g 2 0.04 0.14 n i p4 9d - p4 6g 2 -0.04 0.15 n i p4 9d - p4 7g 2 -0.10 0.14 n i p4 9d - p4 8g 2 -0.15 0.12 n i p4 9d - p4 9g 2 -0.16 0.11 n i p4 9d - sp4 2 -1270.36 -748.83 n i p4 9d - sp3 3p 2 664.33 -63.85 n i p4 9d - sp3 4p 2 441.99 -32.02 n i p4 9d - sp3 5p 2 302.06 -20.30 n i p4 9d - sp3 6p 2 217.23 -14.40 n i p4 9d - sp3 7p 2 162.70 -10.93 n i p4 9d - sp3 8p 2 125.32 -8.67 n i p4 9d - sp3 9p 2 97.72 -7.10 n i p4 9d - sp3 10p 2 59.15 -5.96 n i p4 9d - sp3 11p 2 50.33 -5.10 n i p4 9d - sp3 12p 2 43.17 -4.43 n i p4 9d - sp3 13p 2 37.55 -3.89 n i p4 9d - sp3 14p 2 33.07 -3.45 n i p4 9d - sp3 4f 2 -18.13 -2.73 n i p4 9d - sp3 5f 2 -16.17 -2.55 n i p4 9d - sp3 6f 2 -12.32 -2.18 n i p4 9d - sp3 7f 2 -8.25 -1.85 n i p4 9d - sp3 8f 2 -3.69 -1.58 n i p4 9d - sp3 9f 2 7.05 -1.36 n i p4 10d - p4 11d 4 0.00 34.57 14.23 8.00 n i p4 10d - p4 12d 4 0.00 30.40 12.59 7.08 n i p4 10d - p4 5g 2 0.04 0.12 n i p4 10d - p4 6g 2 -0.02 0.13 n i p4 10d - p4 7g 2 -0.07 0.12 n i p4 10d - p4 8g 2 -0.10 0.11 n i p4 10d - p4 9g 2 -0.13 0.09 n i p4 10d - sp4 2 -1098.91 -648.63 n i p4 10d - sp3 3p 2 561.51 -55.42 n i p4 10d - sp3 4p 2 375.46 -27.80 n i p4 10d - sp3 5p 2 257.63 -17.63 n i p4 10d - sp3 6p 2 186.12 -12.51 n i p4 10d - sp3 7p 2 140.23 -9.49 n i p4 10d - sp3 8p 2 109.00 -7.53 n i p4 10d - sp3 9p 2 86.53 -6.17 n i p4 10d - sp3 10p 2 69.26 -5.18 n i p4 10d - sp3 11p 2 44.22 -4.43 n i p4 10d - sp3 12p 2 38.24 -3.84 n i p4 10d - sp3 13p 2 33.25 -3.38 n i p4 10d - sp3 14p 2 29.25 -3.00 n i p4 10d - sp3 4f 2 -15.15 -2.36 n i p4 10d - sp3 5f 2 -13.68 -2.20 n i p4 10d - sp3 6f 2 -10.73 -1.89 n i p4 10d - sp3 7f 2 -7.79 -1.60 n i p4 10d - sp3 8f 2 -4.98 -1.37 n i p4 10d - sp3 9f 2 -1.89 -1.18 n i p4 11d - p4 12d 4 0.00 26.50 11.02 6.20 n i p4 11d - p4 5g 2 0.03 0.10 n i p4 11d - p4 6g 2 -0.01 0.11 n i p4 11d - p4 7g 2 -0.05 0.10 n i p4 11d - p4 8g 2 -0.08 0.09 n i p4 11d - p4 9g 2 -0.10 0.08 n i p4 11d - sp4 2 -962.43 -568.66 n i p4 11d - sp3 3p 2 482.90 -48.67 n i p4 11d - sp3 4p 2 324.19 -24.42 n i p4 11d - sp3 5p 2 223.13 -15.49 n i p4 11d - sp3 6p 2 161.70 -10.99 n i p4 11d - sp3 7p 2 122.29 -8.34 n i p4 11d - sp3 8p 2 95.55 -6.62 n i p4 11d - sp3 9p 2 76.47 -5.42 n i p4 11d - sp3 10p 2 62.20 -4.55 n i p4 11d - sp3 11p 2 50.86 -3.89 n i p4 11d - sp3 12p 2 33.90 -3.38 n i p4 11d - sp3 13p 2 29.71 -2.97 n i p4 11d - sp3 14p 2 26.13 -2.64 n i p4 11d - sp3 4f 2 -12.88 -2.07 n i p4 11d - sp3 5f 2 -11.71 -1.93 n i p4 11d - sp3 6f 2 -9.33 -1.65 n i p4 11d - sp3 7f 2 -7.02 -1.40 n i p4 11d - sp3 8f 2 -4.95 -1.20 n i p4 11d - sp3 9f 2 -3.02 -1.03 n i p4 12d - p4 5g 2 0.03 0.09 n i p4 12d - p4 6g 2 -0.01 0.10 n i p4 12d - p4 7g 2 -0.04 0.09 n i p4 12d - p4 8g 2 -0.06 0.08 n i p4 12d - p4 9g 2 -0.08 0.07 n i p4 12d - sp4 2 -851.82 -503.73 n i p4 12d - sp3 3p 2 421.16 -43.16 n i p4 12d - sp3 4p 2 283.67 -21.66 n i p4 12d - sp3 5p 2 195.71 -13.74 n i p4 12d - sp3 6p 2 142.17 -9.75 n i p4 12d - sp3 7p 2 107.81 -7.40 n i p4 12d - sp3 8p 2 84.51 -5.87 n i p4 12d - sp3 9p 2 67.95 -4.81 n i p4 12d - sp3 10p 2 55.67 -4.04 n i p4 12d - sp3 11p 2 46.19 -3.45 n i p4 12d - sp3 12p 2 38.44 -3.00 n i p4 12d - sp3 13p 2 26.55 -2.64 n i p4 12d - sp3 14p 2 23.52 -2.34 n i p4 12d - sp3 4f 2 -11.10 -1.83 n i p4 12d - sp3 5f 2 -10.14 -1.71 n i p4 12d - sp3 6f 2 -8.16 -1.46 n i p4 12d - sp3 7f 2 -6.26 -1.24 n i p4 12d - sp3 8f 2 -4.61 -1.06 n i p4 12d - sp3 9f 2 -3.18 -0.91 n i s2p2 5g - s2p2 6g 4 0.00 22.24 0.00 0.00 n i s2p2 5g - s2p2 7g 4 0.00 15.73 0.00 0.00 n i s2p2 5g - s2p2 8g 4 0.00 12.06 0.00 0.00 n i s2p2 5g - s2p2 9g 4 0.00 9.69 0.00 0.00 n i s2p2 5g - p4 5g 1 97113.94 n i s2p2 5g - p4 6g 1 0.00 n i s2p2 5g - p4 7g 1 0.00 n i s2p2 5g - p4 8g 1 0.00 n i s2p2 5g - p4 9g 1 0.00 n i s2p2 5g - s2p2 7i 2 6.68 0.00 n i s2p2 5g - s2p2 8i 2 6.60 0.00 n i s2p2 5g - s2p2 9i 2 5.98 0.00 n i s2p2 5g - sp3 4f 2 -607.58 -0.03 n i s2p2 5g - sp3 5f 2 0.13 -0.03 n i s2p2 5g - sp3 6f 2 -20.35 -0.02 n i s2p2 5g - sp3 7f 2 -16.48 -0.02 n i s2p2 5g - sp3 8f 2 -13.17 -0.02 n i s2p2 5g - sp3 9f 2 -10.77 -0.01 n i s2p2 6g - s2p2 7g 4 0.00 15.61 0.00 0.00 n i s2p2 6g - s2p2 8g 4 0.00 12.02 0.00 0.00 n i s2p2 6g - s2p2 9g 4 0.00 9.69 0.00 0.00 n i s2p2 6g - p4 5g 1 0.00 n i s2p2 6g - p4 6g 1 97113.94 n i s2p2 6g - p4 7g 1 0.00 n i s2p2 6g - p4 8g 1 0.00 n i s2p2 6g - p4 9g 1 0.00 n i s2p2 6g - s2p2 7i 2 -1.51 0.00 n i s2p2 6g - s2p2 8i 2 0.67 0.00 n i s2p2 6g - s2p2 9i 2 1.45 0.00 n i s2p2 6g - sp3 4f 2 -428.81 -0.03 n i s2p2 6g - sp3 5f 2 -228.21 -0.03 n i s2p2 6g - sp3 6f 2 0.14 -0.02 n i s2p2 6g - sp3 7f 2 -15.59 -0.02 n i s2p2 6g - sp3 8f 2 -13.76 -0.02 n i s2p2 6g - sp3 9f 2 -11.58 -0.02 n i s2p2 7g - s2p2 8g 4 0.00 10.70 0.00 0.00 n i s2p2 7g - s2p2 9g 4 0.00 8.65 0.00 0.00 n i s2p2 7g - p4 5g 1 0.00 n i s2p2 7g - p4 6g 1 0.00 n i s2p2 7g - p4 7g 1 97113.94 n i s2p2 7g - p4 8g 1 0.00 n i s2p2 7g - p4 9g 1 0.00 n i s2p2 7g - s2p2 7i 2 0.00 0.00 n i s2p2 7g - s2p2 8i 2 -0.80 0.00 n i s2p2 7g - s2p2 9i 2 -0.18 0.00 n i s2p2 7g - sp3 4f 2 -323.86 -0.03 n i s2p2 7g - sp3 5f 2 -203.50 -0.03 n i s2p2 7g - sp3 6f 2 -103.31 -0.02 n i s2p2 7g - sp3 7f 2 0.12 -0.02 n i s2p2 7g - sp3 8f 2 -10.95 -0.02 n i s2p2 7g - sp3 9f 2 -10.27 -0.01 n i s2p2 8g - s2p2 9g 4 0.00 7.53 0.00 0.00 n i s2p2 8g - p4 5g 1 0.00 n i s2p2 8g - p4 6g 1 0.00 n i s2p2 8g - p4 7g 1 0.00 n i s2p2 8g - p4 8g 1 97113.94 n i s2p2 8g - p4 9g 1 0.00 n i s2p2 8g - s2p2 7i 2 0.02 0.00 n i s2p2 8g - s2p2 8i 2 0.00 0.00 n i s2p2 8g - s2p2 9i 2 -0.42 0.00 n i s2p2 8g - sp3 4f 2 -256.69 -0.03 n i s2p2 8g - sp3 5f 2 -171.68 -0.02 n i s2p2 8g - sp3 6f 2 -102.91 -0.02 n i s2p2 8g - sp3 7f 2 -53.11 -0.02 n i s2p2 8g - sp3 8f 2 0.11 -0.01 n i s2p2 8g - sp3 9f 2 -7.66 -0.01 n i s2p2 9g - p4 5g 1 0.00 n i s2p2 9g - p4 6g 1 0.00 n i s2p2 9g - p4 7g 1 0.00 n i s2p2 9g - p4 8g 1 0.00 n i s2p2 9g - p4 9g 1 97113.94 n i s2p2 9g - s2p2 7i 2 0.03 0.00 n i s2p2 9g - s2p2 8i 2 0.02 0.00 n i s2p2 9g - s2p2 9i 2 0.00 0.00 n i s2p2 9g - sp3 4f 2 -210.48 -0.02 n i s2p2 9g - sp3 5f 2 -145.37 -0.02 n i s2p2 9g - sp3 6f 2 -92.78 -0.02 n i s2p2 9g - sp3 7f 2 -56.52 -0.02 n i s2p2 9g - sp3 8f 2 -29.95 -0.01 n i s2p2 9g - sp3 9f 2 0.09 -0.01 n i p4 5g - p4 6g 4 0.00 22.66 0.00 0.00 n i p4 5g - p4 7g 4 0.00 16.02 0.00 0.00 n i p4 5g - p4 8g 4 0.00 12.29 0.00 0.00 n i p4 5g - p4 9g 4 0.00 9.88 0.00 0.00 n i p4 5g - p4 7i 2 6.80 0.00 n i p4 5g - p4 8i 2 6.73 0.00 n i p4 5g - p4 9i 2 6.09 0.00 n i p4 5g - sp3 4f 2 -603.13 -0.02 n i p4 5g - sp3 5f 2 0.12 -0.02 n i p4 5g - sp3 6f 2 -20.21 -0.02 n i p4 5g - sp3 7f 2 -16.36 -0.01 n i p4 5g - sp3 8f 2 -13.07 -0.01 n i p4 5g - sp3 9f 2 -10.70 -0.01 n i p4 6g - p4 7g 4 0.00 15.90 0.00 0.00 n i p4 6g - p4 8g 4 0.00 12.24 0.00 0.00 n i p4 6g - p4 9g 4 0.00 9.87 0.00 0.00 n i p4 6g - p4 7i 2 -1.54 0.00 n i p4 6g - p4 8i 2 0.68 0.00 n i p4 6g - p4 9i 2 1.48 0.00 n i p4 6g - sp3 4f 2 -425.67 -0.02 n i p4 6g - sp3 5f 2 -226.54 -0.02 n i p4 6g - sp3 6f 2 0.13 -0.02 n i p4 6g - sp3 7f 2 -15.48 -0.01 n i p4 6g - sp3 8f 2 -13.66 -0.01 n i p4 6g - sp3 9f 2 -11.50 -0.01 n i p4 7g - p4 8g 4 0.00 10.91 0.00 0.00 n i p4 7g - p4 9g 4 0.00 8.81 0.00 0.00 n i p4 7g - p4 7i 2 0.00 0.00 n i p4 7g - p4 8i 2 -0.81 0.00 n i p4 7g - p4 9i 2 -0.19 0.00 n i p4 7g - sp3 4f 2 -321.49 -0.02 n i p4 7g - sp3 5f 2 -202.01 -0.02 n i p4 7g - sp3 6f 2 -102.55 -0.02 n i p4 7g - sp3 7f 2 0.12 -0.01 n i p4 7g - sp3 8f 2 -10.88 -0.01 n i p4 7g - sp3 9f 2 -10.20 -0.01 n i p4 8g - p4 9g 4 0.00 7.67 0.00 0.00 n i p4 8g - p4 7i 2 0.02 0.00 n i p4 8g - p4 8i 2 0.00 0.00 n i p4 8g - p4 9i 2 -0.43 0.00 n i p4 8g - sp3 4f 2 -254.82 -0.02 n i p4 8g - sp3 5f 2 -170.42 -0.02 n i p4 8g - sp3 6f 2 -102.16 -0.01 n i p4 8g - sp3 7f 2 -52.73 -0.01 n i p4 8g - sp3 8f 2 0.10 -0.01 n i p4 8g - sp3 9f 2 -7.61 -0.01 n i p4 9g - p4 7i 2 0.03 0.00 n i p4 9g - p4 8i 2 0.02 0.00 n i p4 9g - p4 9i 2 0.00 0.00 n i p4 9g - sp3 4f 2 -208.94 -0.02 n i p4 9g - sp3 5f 2 -144.31 -0.02 n i p4 9g - sp3 6f 2 -92.10 -0.01 n i p4 9g - sp3 7f 2 -56.11 -0.01 n i p4 9g - sp3 8f 2 -29.73 -0.01 n i p4 9g - sp3 9f 2 0.08 -0.01 n i s2p2 7i - s2p2 8i 4 0.00 2.57 0.00 0.00 n i s2p2 7i - s2p2 9i 4 0.00 1.79 0.00 0.00 n i s2p2 7i - p4 7i 1 97113.94 n i s2p2 7i - p4 8i 1 0.00 n i s2p2 7i - p4 9i 1 0.00 n i s2p2 8i - s2p2 9i 4 0.00 2.13 0.00 0.00 n i s2p2 8i - p4 7i 1 0.00 n i s2p2 8i - p4 8i 1 97113.94 n i s2p2 8i - p4 9i 1 0.00 n i s2p2 9i - p4 7i 1 0.00 n i s2p2 9i - p4 8i 1 0.00 n i s2p2 9i - p4 9i 1 97113.94 n i p4 7i - p4 8i 4 0.00 2.62 0.00 0.00 n i p4 7i - p4 9i 4 0.00 1.82 0.00 0.00 n i p4 8i - p4 9i 4 0.00 2.17 0.00 0.00 n i sp4 - sp3 3p 4 2234.33 13160.74 2374.98 9348.16 n i sp4 - sp3 4p 4 1239.25 7279.54 1322.74 5187.67 n i sp4 - sp3 5p 4 821.81 4822.33 878.82 3441.85 n i sp4 - sp3 6p 4 597.58 3504.74 639.71 2503.56 n i sp4 - sp3 7p 4 460.23 2698.40 493.00 1928.58 n i sp4 - sp3 8p 4 368.76 2161.67 395.19 1545.53 n i sp4 - sp3 9p 4 304.16 1782.77 326.08 1274.96 n i sp4 - sp3 10p 4 256.52 1503.38 275.07 1075.36 n i sp4 - sp3 11p 4 220.17 1290.28 236.14 923.07 n i sp4 - sp3 12p 4 191.69 1123.32 205.63 803.72 n i sp4 - sp3 13p 4 168.88 989.58 181.18 708.11 n i sp4 - sp3 14p 4 150.26 880.49 161.23 630.10 n i sp4 - sp3 4f 1 141.80 n i sp4 - sp3 5f 1 132.19 n i sp4 - sp3 6f 1 113.24 n i sp4 - sp3 7f 1 96.07 n i sp4 - sp3 8f 1 82.03 n i sp4 - sp3 9f 1 70.77 n i sp3 3p - sp3 4p 6 0.00 1381.01 0.00 2301.03 1771.99 1216.19 n i sp3 3p - sp3 5p 6 0.00 924.40 0.00 1496.06 1184.35 818.86 n i sp3 3p - sp3 6p 6 0.00 675.46 0.00 1078.52 864.80 600.15 n i sp3 3p - sp3 7p 6 0.00 521.72 0.00 826.57 667.72 464.38 n i sp3 3p - sp3 8p 6 0.00 418.82 0.00 660.14 535.90 373.22 n i sp3 3p - sp3 9p 6 0.00 345.91 0.00 543.23 442.55 308.49 n i sp3 3p - sp3 10p 6 0.00 292.00 0.00 457.30 373.55 260.56 n i sp3 3p - sp3 11p 6 0.00 250.81 0.00 391.93 320.84 223.90 n i sp3 3p - sp3 12p 6 0.00 218.49 0.00 340.81 279.48 195.11 n i sp3 3p - sp3 13p 6 0.00 192.57 0.00 299.93 246.32 172.01 n i sp3 3p - sp3 14p 6 0.00 171.40 0.00 266.63 219.25 153.14 n i sp3 3p - sp3 4f 2 -340.12 -1.18 n i sp3 3p - sp3 5f 2 -283.34 -0.83 n i sp3 3p - sp3 6f 2 -228.81 -0.58 n i sp3 3p - sp3 7f 2 -187.32 -0.43 n i sp3 3p - sp3 8f 2 -156.23 -0.33 n i sp3 3p - sp3 9f 2 -132.57 -0.26 n i sp3 4p - sp3 5p 6 0.00 526.61 0.00 923.49 671.31 473.91 n i sp3 4p - sp3 6p 6 0.00 385.02 0.00 665.18 490.40 347.59 n i sp3 4p - sp3 7p 6 0.00 297.49 0.00 509.82 378.74 269.08 n i sp3 4p - sp3 8p 6 0.00 238.87 0.00 407.26 304.02 216.32 n i sp3 4p - sp3 9p 6 0.00 197.32 0.00 335.21 251.09 178.83 n i sp3 4p - sp3 10p 6 0.00 166.59 0.00 282.26 211.96 151.07 n i sp3 4p - sp3 11p 6 0.00 143.10 0.00 241.96 182.06 129.83 n i sp3 4p - sp3 12p 6 0.00 124.67 0.00 210.45 158.60 113.15 n i sp3 4p - sp3 13p 6 0.00 109.88 0.00 185.24 139.79 99.76 n i sp3 4p - sp3 14p 6 0.00 97.81 0.00 164.70 124.43 88.82 n i sp3 4p - sp3 4f 2 11.15 -1.68 n i sp3 4p - sp3 5f 2 -36.16 -1.42 n i sp3 4p - sp3 6f 2 -42.77 -1.14 n i sp3 4p - sp3 7f 2 -40.63 -0.94 n i sp3 4p - sp3 8f 2 -36.65 -0.78 n i sp3 4p - sp3 9f 2 -32.61 -0.66 n i sp3 5p - sp3 6p 6 0.00 258.20 0.00 458.63 328.23 234.58 n i sp3 5p - sp3 7p 6 0.00 199.53 0.00 351.40 253.52 181.62 n i sp3 5p - sp3 8p 6 0.00 160.23 0.00 280.73 203.52 146.03 n i sp3 5p - sp3 9p 6 0.00 132.37 0.00 231.10 168.09 120.74 n i sp3 5p - sp3 10p 6 0.00 111.76 0.00 194.62 141.90 102.00 n i sp3 5p - sp3 11p 6 0.00 96.00 0.00 166.86 121.88 87.66 n i sp3 5p - sp3 12p 6 0.00 83.64 0.00 145.15 106.18 76.40 n i sp3 5p - sp3 13p 6 0.00 73.72 0.00 127.78 93.59 67.36 n i sp3 5p - sp3 14p 6 0.00 65.62 0.00 113.62 83.30 59.97 n i sp3 5p - sp3 4f 2 -13.33 -1.39 n i sp3 5p - sp3 5f 2 -2.58 -1.20 n i sp3 5p - sp3 6f 2 -10.07 -0.98 n i sp3 5p - sp3 7f 2 -12.12 -0.81 n i sp3 5p - sp3 8f 2 -12.12 -0.68 n i sp3 5p - sp3 9f 2 -11.43 -0.58 n i sp3 6p - sp3 7p 6 0.00 145.95 0.00 260.28 185.26 133.29 n i sp3 6p - sp3 8p 6 0.00 117.21 0.00 207.90 148.72 107.17 n i sp3 6p - sp3 9p 6 0.00 96.83 0.00 171.15 122.84 88.61 n i sp3 6p - sp3 10p 6 0.00 81.75 0.00 144.15 103.70 74.86 n i sp3 6p - sp3 11p 6 0.00 70.23 0.00 123.60 89.07 64.34 n i sp3 6p - sp3 12p 6 0.00 61.19 0.00 107.52 77.60 56.07 n i sp3 6p - sp3 13p 6 0.00 53.93 0.00 94.66 68.40 49.44 n i sp3 6p - sp3 14p 6 0.00 48.01 0.00 84.18 60.88 44.02 n i sp3 6p - sp3 4f 2 -10.32 -1.12 n i sp3 6p - sp3 5f 2 -8.98 -0.97 n i sp3 6p - sp3 6f 2 -4.07 -0.80 n i sp3 6p - sp3 7f 2 -5.17 -0.66 n i sp3 6p - sp3 8f 2 -5.50 -0.55 n i sp3 6p - sp3 9f 2 -5.39 -0.47 n i sp3 7p - sp3 8p 6 0.00 90.59 0.00 161.75 114.88 82.99 n i sp3 7p - sp3 9p 6 0.00 74.84 0.00 133.14 94.89 68.62 n i sp3 7p - sp3 10p 6 0.00 63.19 0.00 112.14 80.11 57.98 n i sp3 7p - sp3 11p 6 0.00 54.28 0.00 96.16 68.81 49.83 n i sp3 7p - sp3 12p 6 0.00 47.29 0.00 83.65 59.94 43.43 n i sp3 7p - sp3 13p 6 0.00 41.69 0.00 73.65 52.83 38.29 n i sp3 7p - sp3 14p 6 0.00 37.11 0.00 65.50 47.03 34.09 n i sp3 7p - sp3 4f 2 -8.00 -0.91 n i sp3 7p - sp3 5f 2 -7.28 -0.79 n i sp3 7p - sp3 6f 2 -5.89 -0.65 n i sp3 7p - sp3 7f 2 -3.46 -0.54 n i sp3 7p - sp3 8f 2 -3.38 -0.45 n i sp3 7p - sp3 9f 2 -3.27 -0.39 n i sp3 8p - sp3 9p 6 0.00 60.10 0.00 107.34 76.18 55.18 n i sp3 8p - sp3 10p 6 0.00 50.75 0.00 90.40 64.31 46.62 n i sp3 8p - sp3 11p 6 0.00 43.60 0.00 77.51 55.24 40.07 n i sp3 8p - sp3 12p 6 0.00 37.98 0.00 67.44 48.13 34.92 n i sp3 8p - sp3 13p 6 0.00 33.48 0.00 59.37 42.42 30.79 n i sp3 8p - sp3 14p 6 0.00 29.80 0.00 52.80 37.76 27.42 n i sp3 8p - sp3 4f 2 -6.38 -0.75 n i sp3 8p - sp3 5f 2 -5.89 -0.66 n i sp3 8p - sp3 6f 2 -4.91 -0.54 n i sp3 8p - sp3 7f 2 -3.97 -0.45 n i sp3 8p - sp3 8f 2 -2.67 -0.38 n i sp3 8p - sp3 9f 2 -2.40 -0.32 n i sp3 9p - sp3 10p 6 0.00 41.93 0.00 74.86 53.12 38.55 n i sp3 9p - sp3 11p 6 0.00 36.02 0.00 64.18 45.63 33.13 n i sp3 9p - sp3 12p 6 0.00 31.38 0.00 55.84 39.75 28.88 n i sp3 9p - sp3 13p 6 0.00 27.66 0.00 49.17 35.04 25.46 n i sp3 9p - sp3 14p 6 0.00 24.62 0.00 43.73 31.19 22.67 n i sp3 9p - sp3 4f 2 -5.21 -0.63 n i sp3 9p - sp3 5f 2 -4.85 -0.55 n i sp3 9p - sp3 6f 2 -4.09 -0.46 n i sp3 9p - sp3 7f 2 -3.38 -0.38 n i sp3 9p - sp3 8f 2 -2.78 -0.32 n i sp3 9p - sp3 9f 2 -2.03 -0.27 n i sp3 10p - sp3 11p 6 0.00 30.41 0.00 54.28 38.52 27.99 n i sp3 10p - sp3 12p 6 0.00 26.50 0.00 47.22 33.56 24.40 n i sp3 10p - sp3 13p 6 0.00 23.36 0.00 41.57 29.58 21.51 n i sp3 10p - sp3 14p 6 0.00 20.79 0.00 36.97 26.33 19.15 n i sp3 10p - sp3 4f 2 -4.36 -0.54 n i sp3 10p - sp3 5f 2 -4.07 -0.48 n i sp3 10p - sp3 6f 2 -3.46 -0.39 n i sp3 10p - sp3 7f 2 -2.88 -0.33 n i sp3 10p - sp3 8f 2 -2.40 -0.27 n i sp3 10p - sp3 9f 2 -2.01 -0.23 n i sp3 11p - sp3 12p 6 0.00 22.76 0.00 40.61 28.83 20.97 n i sp3 11p - sp3 13p 6 0.00 20.06 0.00 35.75 25.41 18.49 n i sp3 11p - sp3 14p 6 0.00 17.86 0.00 31.79 22.62 16.46 n i sp3 11p - sp3 4f 2 -3.70 -0.47 n i sp3 11p - sp3 5f 2 -3.47 -0.41 n i sp3 11p - sp3 6f 2 -2.96 -0.34 n i sp3 11p - sp3 7f 2 -2.48 -0.28 n i sp3 11p - sp3 8f 2 -2.08 -0.24 n i sp3 11p - sp3 9f 2 -1.76 -0.20 n i sp3 12p - sp3 13p 6 0.00 17.48 0.00 31.17 22.13 16.11 n i sp3 12p - sp3 14p 6 0.00 15.56 0.00 27.72 19.70 14.35 n i sp3 12p - sp3 4f 2 -3.20 -0.41 n i sp3 12p - sp3 5f 2 -3.00 -0.36 n i sp3 12p - sp3 6f 2 -2.56 -0.30 n i sp3 12p - sp3 7f 2 -2.15 -0.25 n i sp3 12p - sp3 8f 2 -1.81 -0.21 n i sp3 12p - sp3 9f 2 -1.54 -0.18 n i sp3 13p - sp3 14p 6 0.00 13.72 0.00 24.45 17.37 12.65 n i sp3 13p - sp3 4f 2 -2.79 -0.37 n i sp3 13p - sp3 5f 2 -2.63 -0.32 n i sp3 13p - sp3 6f 2 -2.25 -0.27 n i sp3 13p - sp3 7f 2 -1.89 -0.22 n i sp3 13p - sp3 8f 2 -1.60 -0.19 n i sp3 13p - sp3 9f 2 -1.36 -0.16 n i sp3 14p - sp3 4f 2 -2.47 -0.33 n i sp3 14p - sp3 5f 2 -2.32 -0.29 n i sp3 14p - sp3 6f 2 -1.99 -0.24 n i sp3 14p - sp3 7f 2 -1.67 -0.20 n i sp3 14p - sp3 8f 2 -1.42 -0.17 n i sp3 14p - sp3 9f 2 -1.21 -0.14 n i sp3 4f - sp3 5f 6 0.00 0.31 0.00 94.81 0.86 0.55 n i sp3 4f - sp3 6f 6 0.00 0.27 0.00 66.75 0.74 0.47 n i sp3 4f - sp3 7f 6 0.00 0.23 0.00 50.85 0.62 0.40 n i sp3 4f - sp3 8f 6 0.00 0.19 0.00 40.60 0.53 0.34 n i sp3 4f - sp3 9f 6 0.00 0.17 0.00 33.48 0.46 0.29 n i sp3 5f - sp3 6f 6 0.00 0.25 0.00 58.49 0.68 0.43 n i sp3 5f - sp3 7f 6 0.00 0.21 0.00 44.68 0.57 0.37 n i sp3 5f - sp3 8f 6 0.00 0.18 0.00 35.75 0.49 0.31 n i sp3 5f - sp3 9f 6 0.00 0.16 0.00 29.53 0.42 0.27 n i sp3 6f - sp3 7f 6 0.00 0.18 0.00 36.83 0.49 0.31 n i sp3 6f - sp3 8f 6 0.00 0.15 0.00 29.50 0.42 0.27 n i sp3 6f - sp3 9f 6 0.00 0.13 0.00 24.39 0.36 0.23 n i sp3 7f - sp3 8f 6 0.00 0.13 0.00 24.39 0.35 0.23 n i sp3 7f - sp3 9f 6 0.00 0.11 0.00 20.17 0.30 0.19 n i sp3 8f - sp3 9f 6 0.00 0.10 0.00 16.91 0.26 0.17