1NPAR 54 NJ 8 FIRSTJ 0.5 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9 9 8 8 6 6 4 4 0 0 0 0 0 0 0 54 9 1 0 9 18 26 34 40 46 50 54 54 54 54 54 54 54 1 2 3 4 5 6 7 8 9 1 0 0 0 0.500 1.200 2 1.0 30 55 80 60 50 40 20 20 10 10 10 0 0 0 0 2 1.0 9 9 8 8 6 6 4 4 0 0 0 0 0 0 0 20.09 03p 4p 5p 6p 7p 8p 9p 10p 011p 4f 5f 6f 7f 8f 9f 10f 011f 6h 7h 8h 9h 10h 11h 8k 09k 10k 11k 0 0.5 174213. 2p6(1S)3p 2P 3p 2P 0 0.5 899290. 2p6(1S)4p 2P 4p 2P 0 0.5 1206850. 2p6(1S)5p 2P 5p 2P 0 0.5 1366360. 2p6(1S)6p 2P 6p 2P 0 0.5 1459920. 2p6(1S)7p 2P 7p 2P 0 0.5 1519200. 2p6(1S)8p 2P 8p 2P 0 0.5 1559260. 2p6(1S)9p 2P 9p 2P 0 -1.0 0 1.5 179287. 2p6(1S)3p 2P 3p 2P 0 1.5 901200. 2p6(1S)4p 2P 4p 2P 0 1.5 1207760. 2p6(1S)5p 2P 5p 2P 0 1.5 1366890. 2p6(1S)6p 2P 6p 2P 0 1.5 1459920. 2p6(1S)7p 2P 7p 2P 0 1.5 1519200. 2p6(1S)8p 2P 8p 2P 0 1.5 1559260. 2p6(1S)9p 2P 9p 2P 0 -1.0 0 2.5 1016100. 2p6(1S)4f 2F 4f 2F 0 2.5 1263690. 2p6(1S)5f 2F 5f 2F 0 2.5 1398330. 2p6(1S)6f 2F 6f 2F 0 2.5 1479470. 2p6(1S)7f 2F 7f 2F 0 2.5 1532290. 2p6(1S)8f 2F 8f 2F 0 2.5 1568390. 2p6(1S)9f 2F 9f 2F 0 2.5 1594330. 2p6(1S)10f 2F 10f 2F 0 2.5 1613600. 2p6(1S)11f 2F 11f 2F 0 3.5 1016150. 2p6(1S)4f 2F 4f 2F 0 3.5 1263720. 2p6(1S)5f 2F 5f 2F 0 3.5 1398440. 2p6(1S)6f 2F 6f 2F 0 3.5 1479540. 2p6(1S)7f 2F 7f 2F 0 3.5 1532390. 2p6(1S)8f 2F 8f 2F 0 3.5 1568420. 2p6(1S)9f 2F 9f 2F 0 3.5 1594230. 2p6(1S)10f 2F 10f 2F 0 3.5 1613480. 2p6(1S)11f 2F 11f 2F 0 -1.0 0 -1.0 0 -1.0 0 -1.0 54 98.7 1 1 EAV 177595.7 69.8 178126.2 1.000 0 0.000 0 2 1 ZETA 1 3382.7 93.0 3491.2 1.000 0 0.000 0 3 2 EAV 900563.3 69.8 903887.0 1.000 0 0.000 0 4 2 ZETA 1 1273.3 93.0 1300.8 1.000 0 0.000 0 5 3 EAV 1207456.7 69.8 1211002.5 1.000 0 0.000 0 6 3 ZETA 1 606.7 93.0 624.2 1.000 0 0.000 0 7 4 EAV 1366713.3 69.8 1370261.8 1.000 0 0.000 0 8 4 ZETA 1 353.3 93.0 347.5 1.000 0 0.000 0 9 5 EAV 1459973.3 69.8 1463508.3 1.000 0 0.000 0 10 5 ZETA 1 213.3 0.0 213.3 FIXEDHF 1.000 0 0.000 0 11 6 EAV 1519235.1 69.8 1522801.0 1.000 0 0.000 0 12 6 ZETA 1 140.3 0.0 140.3 FIXEDHF 1.000 0 0.000 0 13 7 EAV 1559284.3 69.8 1562835.4 1.000 0 0.000 0 14 7 ZETA 1 97.1 0.0 97.1 FIXEDHF 1.000 0 0.000 0 15 8 EAV 1591135.0 0.0 1591135.0 FIXEDHF 1.000 0 -3550.000 0 16 8 ZETA 1 70.0 0.0 70.0 FIXEDHF 1.000 0 0.000 0 17 9 EAV 1611881.1 0.0 1611881.1 FIXEDHF 1.000 0 -3550.000 0 18 9 ZETA 1 52.1 0.0 52.1 FIXEDHF 1.000 0 0.000 0 19 A EAV 1016130.7 69.8 1018322.4 1.000 0 0.000 0 20 A ZETA 2 22.7 0.0 22.7 FIXEDHF 1.000 0 0.000 0 21 B EAV 1263708.0 69.8 1266834.7 1.000 0 0.000 0 22 B ZETA 2 12.0 0.0 12.0 FIXEDHF 1.000 0 0.000 0 23 C EAV 1398386.8 69.8 1401682.6 1.000 0 0.000 0 24 C ZETA 2 7.0 0.0 7.0 FIXEDHF 1.000 0 0.000 0 25 D EAV 1479506.1 69.8 1482938.8 1.000 0 0.000 0 26 D ZETA 2 4.4 0.0 4.4 FIXEDHF 1.000 0 0.000 0 27 E EAV 1532340.7 69.8 1535653.1 1.000 0 0.000 0 28 E ZETA 2 2.9 0.0 2.9 FIXEDHF 1.000 0 0.000 0 29 F EAV 1568405.5 69.8 1571777.6 1.000 0 0.000 0 30 F ZETA 2 2.0 0.0 2.0 FIXEDHF 1.000 0 0.000 0 31 G EAV 1594280.4 69.8 1597607.0 1.000 0 0.000 0 32 G ZETA 2 1.5 0.0 1.5 FIXEDHF 1.000 0 0.000 0 33 H EAV 1613540.3 69.8 1616714.7 1.000 0 0.000 0 34 H ZETA 2 1.1 0.0 1.1 FIXEDHF 1.000 0 0.000 0 35 I EAV 1402716.3 0.0 1402716.3 FIXEDHF 1.000 0 -3350.000 0 36 I ZETA 3 1.9 0.0 1.9 FIXEDHF 1.000 0 0.000 0 37 J EAV 1483591.9 0.0 1483591.9 FIXEDHF 1.000 0 -3350.000 0 38 J ZETA 3 1.1 0.0 1.1 FIXEDHF 1.000 0 0.000 0 39 K EAV 1536091.1 0.0 1536091.1 FIXEDHF 1.000 0 -3350.000 0 40 K ZETA 3 0.8 0.0 0.8 FIXEDHF 1.000 0 0.000 0 41 L EAV 1572086.3 0.0 1572086.3 FIXEDHF 1.000 0 -3350.000 0 42 L ZETA 3 0.5 0.0 0.5 FIXEDHF 1.000 0 0.000 0 43 M EAV 1597834.3 0.0 1597834.3 FIXEDHF 1.000 0 -3350.000 0 44 M ZETA 3 0.4 0.0 0.4 FIXEDHF 1.000 0 0.000 0 45 N EAV 1616887.6 0.0 1616887.6 FIXEDHF 1.000 0 -3350.000 0 46 N ZETA 3 0.3 0.0 0.3 FIXEDHF 1.000 0 0.000 0 47 O EAV 1536128.8 0.0 1536128.8 FIXEDHF 1.000 0 -3350.000 0 48 O ZETA 4 0.3 0.0 0.3 FIXEDHF 1.000 0 0.000 0 49 P EAV 1572116.6 0.0 1572116.6 FIXEDHF 1.000 0 -3350.000 0 50 P ZETA 4 0.2 0.0 0.2 FIXEDHF 1.000 0 0.000 0 51 Q EAV 1597857.6 0.0 1597857.6 FIXEDHF 1.000 0 -3350.000 0 52 Q ZETA 4 0.1 0.0 0.1 FIXEDHF 1.000 0 0.000 0 53 R EAV 1616903.5 0.0 1616903.5 FIXEDHF 1.000 0 -3350.000 0 54 R ZETA 4 0.1 0.0 0.1 FIXEDHF 1.000 0 0.000 0 1 J 0.5 20.09 3p 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4p 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5p 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6p 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7p 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8p 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9p 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 10p 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 11p 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4f A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 5f B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6f C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 7f D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 8f E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 9f F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 10f G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 11f H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6h I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 7h J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8h K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 9h L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 10h M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 11h N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8k O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9k P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 10k Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 11k R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 174213. 174213.000 0.0 0.666 3p 2P 1.000 1(2P)2P 1 2 899290. 899290.000 0.0 0.666 4p 2P 1.000 2(2P)2P 2 3 1206850. 1206850.000 0.0 0.666 5p 2P 1.000 3(2P)2P 3 4 1366360. 1366360.000 0.0 0.666 6p 2P 1.000 4(2P)2P 4 5 1459920. 1459760.000 -160.0 0.666 7p 2P 1.000 5(2P)2P 5 6 1519200. 1519094.800 -105.2 0.666 8p 2P 1.000 6(2P)2P 6 7 1559260. 1559187.200 -72.8 0.666 9p 2P 1.000 7(2P)2P 7 8 1587515.000 0.666 1.000 8(2P)2P 8 9 1608279.000 0.666 1.000 9(2P)2P 9 1 J 1.5 20.09 3p 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4p 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5p 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6p 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7p 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8p 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9p 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 10p 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 11p 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4f A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 5f B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6f C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 7f D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 8f E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 9f F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 10f G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 11f H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6h I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 7h J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8h K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 9h L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 10h M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 11h N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8k O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9k P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 10k Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 11k R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 179287. 179287.050 0.0 1.334 3p 2P 1.000 1(2P)2P 1 2 901200. 901199.950 -0.1 1.334 4p 2P 1.000 2(2P)2P 2 3 1207760. 1207760.050 0.0 1.334 5p 2P 1.000 3(2P)2P 3 4 1366890. 1366889.950 -0.1 1.334 6p 2P 1.000 4(2P)2P 4 5 1459920. 1460079.950 159.9 1.334 7p 2P 1.000 5(2P)2P 5 6 1519200. 1519305.250 105.2 1.334 8p 2P 1.000 6(2P)2P 6 7 1559260. 1559332.850 72.8 1.334 9p 2P 1.000 7(2P)2P 7 8 1587620.000 1.334 1.000 8(2P)2P 8 9 1608357.150 1.334 1.000 9(2P)2P 9 1 J 2.5 20.09 3p 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4p 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5p 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6p 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7p 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8p 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9p 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 10p 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 11p 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4f A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 5f B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6f C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 7f D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 8f E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 9f F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 10f G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 11f H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6h I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 7h J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8h K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 9h L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 10h M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 11h N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8k O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9k P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 10k Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 11k R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1016100. 1016085.300 -14.7 0.857 4f 2F 1.000 A(2F)2F 1 2 1263690. 1263684.000 -6.0 0.857 5f 2F 1.000 B(2F)2F 2 3 1398330. 1398372.800 42.8 0.857 6f 2F 1.000 C(2F)2F 3 4 1479470. 1479497.300 27.3 0.857 7f 2F 1.000 D(2F)2F 4 5 1532290. 1532334.900 44.9 0.857 8f 2F 1.000 E(2F)2F 5 6 1568390. 1568401.500 11.5 0.857 9f 2F 1.000 F(2F)2F 6 7 1594330. 1594277.400 -52.6 0.857 10f 2F 1.000 G(2F)2F 7 8 1613600. 1613538.100 -61.9 0.857 11f 2F 1.000 H(2F)2F 8 1 J 3.5 20.09 3p 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4p 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5p 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6p 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7p 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8p 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9p 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 10p 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 11p 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4f A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 5f B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6f C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 7f D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 8f E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 9f F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 10f G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 11f H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6h I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 7h J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8h K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 9h L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 10h M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 11h N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8k O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9k P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 10k Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 11k R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1016150. 1016164.750 14.7 1.143 4f 2F 1.000 A(2F)2F 1 2 1263720. 1263726.000 6.0 1.143 5f 2F 1.000 B(2F)2F 2 3 1398440. 1398397.300 -42.7 1.143 6f 2F 1.000 C(2F)2F 3 4 1479540. 1479512.700 -27.3 1.143 7f 2F 1.000 D(2F)2F 4 5 1532390. 1532345.050 -45.0 1.143 8f 2F 1.000 E(2F)2F 5 6 1568420. 1568408.500 -11.5 1.143 9f 2F 1.000 F(2F)2F 6 7 1594230. 1594282.650 52.6 1.143 10f 2F 1.000 G(2F)2F 7 8 1613480. 1613541.950 61.9 1.143 11f 2F 1.000 H(2F)2F 8 1 J 4.5 20.09 3p 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4p 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5p 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6p 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7p 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8p 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9p 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 10p 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 11p 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4f A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 5f B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6f C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 7f D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 8f E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 9f F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 10f G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 11f H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6h I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 7h J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8h K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 9h L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 10h M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 11h N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8k O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9k P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 10k Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 11k R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1399360.600 0.909 1.000 I(2H)2H 1 2 1480238.600 0.909 1.000 J(2H)2H 2 3 1532738.700 0.909 1.000 K(2H)2H 3 4 1568734.800 0.909 1.000 L(2H)2H 4 5 1594483.100 0.909 1.000 M(2H)2H 5 6 1613536.700 0.909 1.000 N(2H)2H 6 1 J 5.5 20.09 3p 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4p 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5p 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6p 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7p 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8p 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9p 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 10p 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 11p 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4f A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 5f B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6f C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 7f D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 8f E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 9f F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 10f G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 11f H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6h I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 7h J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8h K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 9h L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 10h M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 11h N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8k O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9k P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 10k Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 11k R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1399371.050 1.091 1.000 I(2H)2H 1 2 1480244.650 1.091 1.000 J(2H)2H 2 3 1532743.100 1.091 1.000 K(2H)2H 3 4 1568737.550 1.091 1.000 L(2H)2H 4 5 1594485.300 1.091 1.000 M(2H)2H 5 6 1613538.350 1.091 1.000 N(2H)2H 6 1 J 6.5 20.09 3p 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4p 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5p 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6p 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7p 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8p 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9p 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 10p 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 11p 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4f A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 5f B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6f C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 7f D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 8f E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 9f F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 10f G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 11f H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6h I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 7h J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8h K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 9h L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 10h M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 11h N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8k O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9k P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 10k Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 11k R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1532777.600 0.933 1.000 O(2K)2K 1 2 1568765.800 0.933 1.000 P(2K)2K 2 3 1594507.200 0.933 1.000 Q(2K)2K 3 4 1613553.100 0.933 1.000 R(2K)2K 4 1 J 7.5 20.09 3p 1 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4p 2 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 5p 3 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 6p 4 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 7p 5 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 8p 6 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 9p 7 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 10p 8 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 11p 9 p 1 f 0 h 0 k 0 s 0 s 0 s 0 s 0 4f A p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 5f B p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6f C p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 7f D p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 8f E p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 9f F p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 10f G p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 11f H p 0 f 1 h 0 k 0 s 0 s 0 s 0 s 0 6h I p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 7h J p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8h K p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 9h L p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 10h M p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 11h N p 0 f 0 h 1 k 0 s 0 s 0 s 0 s 0 8k O p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 9k P p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 10k Q p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 11k R p 0 f 0 h 0 k 1 s 0 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1532779.850 1.067 1.000 O(2K)2K 1 2 1568767.300 1.067 1.000 P(2K)2K 2 3 1594507.950 1.067 1.000 Q(2K)2K 3 4 1613553.850 1.067 1.000 R(2K)2K 4 1 23:40:24 041:52.570 destroy log2009o -noverify 23:40:25 041:52.604 setcowan 23:40:25 041:52.608 ifget leastc.x 23:40:26 041:52.771 set2009 23:40:26 041:52.776 ifget b2009o.i 23:40:27 041:52.940 ifget h2009o.h 23:40:27 041:53.104 runx leastc tape1=h2009o.h tape3=c2009o.e tape5=b2009o.i & 23:40:27 041:53.104 tape6=c2009o.o tape7=c2009o.p tape15=c2009o15 tape16=c2009o16 23:42:48 041:53.746 store c2009o.e 23:42:52 041:53.772 log log2009o