$ Set NoOn $ VERIFY = F$VERIFY(F$TRNLNM("SYLOGIN_VERIFY")) %SET-W-NOTSET, error modifying CFAKU1$DKB0: -SET-E-INVDEV, device is invalid for requested operation $ EXIT $SET def 1605 $SET VERIFY=NOIMAGE $ASSIGN B1605O.PUN FOR007 $ASSIGN H1605O.HAM FOR001 $ASSIGN C1605O.EIG FOR003 $ASSIGN EAV1605O.DAT FOR066 $ASSIGN POOLG:B1605O15 FOR015 $ASSIGN POOLG:B1605O16 FOR016 $RUN CRAY:LEAST3007 NPAR 195 NJ 8 FIRSTJ 0.5 1 p 6 s 0 p 1 p 0 f 0 h 0 k 0 d 0 2 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 3 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 4 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 5 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 6 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 7 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 8 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 9 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 A p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 B p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 C p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 D p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 E p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 F p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 G p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 H p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 I p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 J p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 K p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 L p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 M p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 N p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 O p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 P p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 Q p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 R p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 S p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 T p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 U p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 V p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 W p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 X p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 Y p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 Z p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 a p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 b p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 c p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 d p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 e p 5 s 2 p 0 p 0 f 0 h 0 k 0 d 0 f p 5 s 1 p 0 p 0 f 0 h 0 k 0 d 1 g p 5 s 0 p 2 p 0 f 0 h 0 k 0 d 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2P)2P 1 1.5 1(2P)2P 1 TOTAL 2 23 28 23 17 10 9 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 124 28 1 0 23 51 74 91 101 110 117 124 124 124 124 124 124 124 124 124 124 124 124 124 124 124 0 1 Magnusson, C.E. and Zetterberg, P.O. 1974. Physica Scripta 10, 177-182. 2 3 4 5 6 7 8 9 1 0 0 0 0.300 1.500 1 1.0 60 100 40 40 20 20 10 10 10 10 10 10 10 10 10 0 0 0 0 0 0 0 0 1 1.0 23 28 23 17 10 9 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15.04 2p6 3p 2p6 4p 2p6 5p 2p6 6p 2p6 7p 2p6 8p 2p6 9p 2p6 10p 2p6 11p 2p6 12p 2p6 13p 2p6 14p 2p6 4f 2p6 5f 2p6 6f 2p6 7f 2p6 8f 2p6 9f 2p6 10f 2p6 11f 2p6 12f 2p6 13f 2p6 14f 2p6 6h 2p6 7h 2p6 8h 2p6 9h 2p6 10h 2p6 11h 2p6 12h 2p6 13h 2p6 14h 2p6 8k 2p6 9k 2p6 10k 2p6 11k 2p6 12k 2p6 13k 2p6 14k 2p5 3s2 2p5 3s3d 2p5 3p2 SENORITY MIXING CORRECTIONS 0 0.5 105873.6 2p6.3p 2P 3p 2P 0 0.5 401169.2 2p6.4p 2P 4p 2P 0 0.5 522029.1 2p6.5p 2P 5p 2P 0 0.5 583551.3 2p6.6p 2P 6p 2P 0 0.5 619142.9 2p6.7p 2P 7p 2P 0 0.5 641580. R 2p6.8p 2P 8p 2P 0 0.5 656641. R 2p6.9p 2P 9p 2P 1 0.5 1 0.5 1 0.5 1 0.5 1 0.5 1 0.5 1 0.5 1 0.5 1 0.5 2p5(2P)3p2(3P) 4D 3p2(3P) 4D 1 0.5 0 0.5 1567043.3 X 2p5.3s(3P)3d 4P 3s3P3d 4P 0 -1.0 0 1.5 107137.7 2p6.3p 2P 3p 2P 0 1.5 401627.1 2p6.4p 2P 4p 2P 0 1.5 522249.5 2p6.5p 2P 5p 2P 0 1.5 583674.1 2p6.6p 2P 6p 2P 0 1.5 619218.4 2p6.7p 2P 7p 2P 0 1.5 641631. R 2p6.8p 2P 8p 2P 0 1.5 656675. R 2p6.9p 2P 9p 2P 1 1.5 1 1.5 1 1.5 1 1.5 1 1.5 1 1.5 1 1.5 1 1.5 0 1.5 1540339.6 X 2p5(2P)3p2(3P) 4D 3p2(3P) 4D 1 1.5 1 1.5 1 1.5 0 1.5 1568209.1 X 2p5.3s(3P)3d 4P 3s3P3d 4P 1 1.5 0 1.5 1578524.4 X 2p5.3s(3P)3d 4F 3s3P3d 4F 0 -1.0 0 2.5 462650.1 2p6.4f 2F 4f 2F 0 2.5 551759.6 2p6.5f 2F 5f 2F 0 2.5 600189.4 2p6.6f 2F 6f 2F 0 2.5 629390.3 2p6.7f 2F 7f 2F 0 2.5 648343.2 2p6.8f 2F 8f 2F 0 2.5 661327. 2p6.9f 2F 9f 2F 0 2.5 670626. 2p6.10f 2F 10f 2F 1 2.5 1 2.5 1 2.5 1 2.5 0 2.5 1526781.8 X 2p5(2P)3p2(3P) 4P 3p2(3P) 4P 1 2.5 0 2.5 1539279.2 X 2p5(2P)3p2(3P) 4D 3p2(3P) 4D 1 2.5 1 2.5 0 2.5 1570381.8 X 2p5.3s(3P)3d 4P 3s3P3d 4P 0 2.5 1576284.8 X 2p5.3s(3P)3d 4F 3s3P3d 4F 0 2.5 1583500. 2p5.3s(3P)3d 4D 3s3P3d 4D 0 2.5 1591200. 2p5.3s(1P)3d 2F 3s1P3d 2F 0 2.5 1595500. 2p5.3s(1P)3d 2D 3s1P3d 2D 0 -1.0 0 3.5 462650.1 2p6.4f 2F 4f 2F 0 3.5 551759.6 2p6.5f 2F 5f 2F 0 3.5 600189.4 2p6.6f 2F 6f 2F 0 3.5 629390.3 2p6.7f 2F 7f 2F 0 3.5 648343.2 2p6.8f 2F 8f 2F 0 3.5 661327. 2p6.9f 2F 9f 2F 0 3.5 670626. 2p6.10f 2F 10f 2F 1 3.5 1 3.5 1 3.5 1 3.5 1 3.5 0 3.5 1537612.7 X 2p5(2P)3p2(3P) 4D 3p2(3P) 4D 0 3.5 1574292.3 X 2p5.3s(3P)3d 4F 3s3P3d 4F 0 3.5 1583500. 2p5.3s(3P)3d 4D 3s3P3d 4D 0 3.5 1591200. 2p5.3s(1P)3d 2F 3s1P3d 2F 0 -1.0 0 4.5 600448.9 2p6.6h 2H 6h 2H 0 4.5 629563.8 2p6.7h 2H 7h 2H 1 4.5 1 4.5 1 4.5 1 4.5 1 4.5 1 4.5 1 4.5 0 4.5 1572481.4 X 2p5.3s(3P)3d 4F 3s3P3d 4F 0 5.5 600448.9 2p6.6h 2H 6h 2H 0 5.5 629563.8 2p6.7h 2H 7h 2H 0 -1.0 0 -1.0 0 -1.0 195 296.4 26 LEAST SQUARES 1 1 EAV 108799.3 210.0 106727.8 1.000 0 -3100.0 0 2p6 3p 2 1 ZETA 3 840.9 280.0 883.1 1.000 0 0.0 0 3 2 EAV 401560.3 210.0 404330.1 1.000 0 -3100.0 0 2p6 4p 4 2 ZETA 4 305.2 279.0 318.0 1.000 0 0.0 0 5 3 EAV 522214.6 210.0 525294.3 1.000 0 -3100.0 0 2p6 5p 6 3 ZETA 4 146.9 279.0 149.1 1.000 0 0.0 0 7 4 EAV 583654.1 210.0 586803.8 1.000 0 -3100.0 0 2p6 6p 8 4 ZETA 4 81.8 279.0 81.8 1.000 0 0.0 0 9 5 EAV 619206.0 210.0 622379.9 1.000 0 -3100.0 0 2p6 7p 10 5 ZETA 4 50.3 279.0 49.6 1.000 0 0.0 0 11 6 EAV 641621.9 210.0 644808.6 1.000 0 -3100.0 0 2p6 8p 12 6 ZETA 4 32.4 0.0 32.4 FIXEDHF 1.000 0 0.0 0 13 7 EAV 656669.3 210.0 659858.6 1.000 0 -3100.0 0 2p6 9p 14 7 ZETA 4 22.3 0.0 22.3 FIXEDHF 1.000 0 0.0 0 15 8 EAV 667344.5 0.0 670444.5 FIXEDHF 1.000 0 -3100.0 0 2p6 10p 16 8 ZETA 4 16.0 0.0 16.0 FIXEDHF 1.000 0 0.0 0 17 9 EAV 675073.5 0.0 678173.5 FIXEDHF 1.000 0 -3100.0 0 2p6 11p 18 9 ZETA 4 11.9 0.0 11.9 FIXEDHF 1.000 0 0.0 0 19 A EAV 680891.0 0.0 683991.0 FIXEDHF 1.000 0 -3100.0 0 2p6 12p 20 A ZETA 4 9.0 0.0 9.0 FIXEDHF 1.000 0 0.0 0 21 B EAV 685374.8 0.0 688474.8 FIXEDHF 1.000 0 -3100.0 0 2p6 13p 22 B ZETA 4 7.1 0.0 7.1 FIXEDHF 1.000 0 0.0 0 23 C EAV 688908.9 0.0 692008.9 FIXEDHF 1.000 0 -3100.0 0 2p6 14p 24 C ZETA 4 5.6 0.0 5.6 FIXEDHF 1.000 0 0.0 0 25 D EAV 462654.8 210.0 465163.0 1.000 0 -3100.0 0 2p6 4f 26 D ZETA 5 3.2 0.0 3.2 FIXEDHF 1.000 0 0.0 0 27 E EAV 551762.1 210.0 554647.6 1.000 0 -3100.0 0 2p6 5f 28 E ZETA 5 1.6 0.0 1.6 FIXEDHF 1.000 0 0.0 0 29 F EAV 600190.9 210.0 603225.8 1.000 0 -3100.0 0 2p6 6f 30 F ZETA 5 0.9 0.0 0.9 FIXEDHF 1.000 0 0.0 0 31 G EAV 629391.2 210.0 632495.6 1.000 0 -3100.0 0 2p6 7f 32 G ZETA 5 0.6 0.0 0.6 FIXEDHF 1.000 0 0.0 0 33 H EAV 648343.8 210.0 651480.7 1.000 0 -3100.0 0 2p6 8f 34 H ZETA 5 0.4 0.0 0.4 FIXEDHF 1.000 0 0.0 0 35 I EAV 661327.5 210.0 664491.1 1.000 0 -3100.0 0 2p6 9f 36 I ZETA 5 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 37 J EAV 670626.3 210.0 673792.6 1.000 0 -3100.0 0 2p6 10f 38 J ZETA 5 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 39 K EAV 677570.8 0.0 680670.8 FIXEDHF 1.000 0 -3100.0 0 2p6 11f 40 K ZETA 5 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 41 L EAV 682803.2 0.0 685903.2 FIXEDHF 1.000 0 -3100.0 0 2p6 12f 42 L ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 43 M EAV 686871.8 0.0 689971.8 FIXEDHF 1.000 0 -3100.0 0 2p6 13f 44 M ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 45 N EAV 690100.1 0.0 693200.1 FIXEDHF 1.000 0 -3100.0 0 2p6 14f 46 N ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 47 O EAV 600449.0 210.0 603643.5 1.000 0 -3100.0 0 2p6 6h 48 O ZETA 6 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 49 P EAV 629563.9 210.0 632757.3 1.000 0 -3100.0 0 2p6 7h 50 P ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 51 Q EAV 648554.8 0.0 651654.8 FIXEDHF 1.000 0 -3100.0 0 2p6 8h 52 Q ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 53 R EAV 661512.3 0.0 664612.3 FIXEDHF 1.000 0 -3100.0 0 2p6 9h 54 R ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 55 S EAV 670779.9 0.0 673879.9 FIXEDHF 1.000 0 -3100.0 0 2p6 10h 56 S ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 57 T EAV 677637.4 0.0 680737.4 FIXEDHF 1.000 0 -3100.0 0 2p6 11h 58 T ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 59 U EAV 682854.7 0.0 685954.7 FIXEDHF 1.000 0 -3100.0 0 2p6 12h 60 U ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 V EAV 686912.3 0.0 690012.3 FIXEDHF 1.000 0 -3100.0 0 2p6 13h 62 V ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 W EAV 690134.3 0.0 693234.3 FIXEDHF 1.000 0 -3100.0 0 2p6 14h 64 W ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 X EAV 648564.3 0.0 651664.3 FIXEDHF 1.000 0 -3100.0 0 2p6 8k 66 X ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 67 Y EAV 661519.3 0.0 664619.3 FIXEDHF 1.000 0 -3100.0 0 2p6 9k 68 Y ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 Z EAV 670786.4 0.0 673886.4 FIXEDHF 1.000 0 -3100.0 0 2p6 10k 70 Z ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 a EAV 677643.0 0.0 680743.0 FIXEDHF 1.000 0 -3100.0 0 2p6 11k 72 a ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 b EAV 682857.3 0.0 685957.3 FIXEDHF 1.000 0 -3100.0 0 2p6 12k 74 b ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 75 c EAV 686915.4 0.0 690015.4 FIXEDHF 1.000 0 -3100.0 0 2p6 13k 76 c ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 77 d EAV 690136.9 0.0 693236.9 FIXEDHF 1.000 0 -3100.0 0 2p6 14k 78 d ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 79 e EAV 1335709.3 0.0 1335709.3 FIXEDHF 1.000 0 0.0 0 2p5 3s2 80 e ZETA 1 6766.6 0.0 6766.6 FIXEDHF 1.000 0 0.0 0 81 f EAV 1587962.2 86.0 1585727.6 1.000 0 0.0 0 2p5 3s3d 82 f ZETA 1 6796.3 0.0 6796.3 FIXEDHF 1.000 0 0.0 0 83 f ZETA 8 45.2 0.0 45.2 FIXEDHF 1.000 0 0.0 0 84 f F2(18) 45719.9 726.0 36289.4 0.800 0 0.0 0 85 f G1(12) 11558.6 859.0 17786.3 0.800 0 0.0 0 86 f G1(18) 20905.5 0.0 26131.9 FIXEDHF 0.800 0 0.0 0 87 f G3(18) 11882.2 0.0 14852.8 FIXEDHF 0.800 0 0.0 0 88 f G2(28) 52971.8 0.0 66214.7 FIXEDHF 0.800 0 0.0 0 89 g EAV 1551922.8 149.0 1550780.6 1.000 0 0.0 0 2p5 3p2 90 g F2(33) 56445.1 0.0 70556.4 FIXEDHF 0.800 0 0.0 0 91 g ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 92 g ZETA 1 6753.2 0.0 6753.2 FIXEDHF 1.000 0 0.0 0 93 g ZETA 3 989.4 0.0 989.4 FIXEDHF 1.000 0 0.0 0 94 g F2(13) 47578.5 1490.0 39285.4 0.800 0 0.0 0 95 g G0(13) 14418.3 0.0 18022.9 FIXEDHF 0.800 0 0.0 0 96 g G2(13) 13847.3 0.0 17309.1 FIXEDHF 0.800 0 0.0 0 97 1e 1D1322 -6091.2 0.0 -7614.0 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s2 98 1f 1D1328 -10718.0 0.0 -13397.5 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s3d 99 1f 1E1328 -28670.6 0.0 -35838.3 FIXEDHF 0.800 0 0.0 0 100 1g 0D1113 7127.4 0.0 8909.3 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3p2 101 1g 2D1113 32056.4 0.0 40070.5 FIXEDHF 0.800 0 0.0 0 102 1g 0D1333 349.9 0.0 437.4 FIXEDHF 0.800 0 0.0 0 103 1g 2D1333 -6472.2 0.0 -8090.3 FIXEDHF 0.800 0 0.0 0 104 2e 1D1422 -624.8 0.0 -781.0 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s2 105 2f 1D1428 -2947.9 0.0 -3684.9 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s3d 106 2f 1E1428 -10431.8 0.0 -13039.7 FIXEDHF 0.800 0 0.0 0 107 2g 0D1433 3467.0 0.0 4333.7 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3p2 108 2g 2D1433 -1327.0 0.0 -1658.8 FIXEDHF 0.800 0 0.0 0 109 3e 1D1422 28.6 0.0 35.7 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s2 110 3f 1D1428 -1610.5 0.0 -2013.1 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s3d 111 3f 1E1428 -6011.5 0.0 -7514.4 FIXEDHF 0.800 0 0.0 0 112 3g 0D1433 2352.5 0.0 2940.6 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3p2 113 3g 2D1433 -466.8 0.0 -583.5 FIXEDHF 0.800 0 0.0 0 114 4e 1D1422 159.5 0.0 199.4 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s2 115 4f 1D1428 -1066.3 0.0 -1332.9 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s3d 116 4f 1E1428 -4091.0 0.0 -5113.7 FIXEDHF 0.800 0 0.0 0 117 4g 0D1433 1730.8 0.0 2163.5 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3p2 118 4g 2D1433 -204.7 0.0 -255.9 FIXEDHF 0.800 0 0.0 0 119 5e 1D1422 180.2 0.0 225.3 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s2 120 5f 1D1428 -779.2 0.0 -974.0 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s3d 121 5f 1E1428 -3038.1 0.0 -3797.6 FIXEDHF 0.800 0 0.0 0 122 5g 0D1433 1343.0 0.0 1678.8 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3p2 123 5g 2D1433 -101.0 0.0 -126.3 FIXEDHF 0.800 0 0.0 0 124 6e 1D1422 172.3 0.0 215.4 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s2 125 6f 1D1428 -604.4 0.0 -755.5 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s3d 126 6f 1E1428 -2381.2 0.0 -2976.5 FIXEDHF 0.800 0 0.0 0 127 6g 0D1433 1081.8 0.0 1352.3 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3p2 128 6g 2D1433 -53.3 0.0 -66.6 FIXEDHF 0.800 0 0.0 0 129 7e 1D1422 157.3 0.0 196.6 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s2 130 7f 1D1428 -488.0 0.0 -610.0 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s3d 131 7f 1E1428 -1936.3 0.0 -2420.4 FIXEDHF 0.800 0 0.0 0 132 7g 0D1433 895.8 0.0 1119.8 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3p2 133 7g 2D1433 -28.9 0.0 -36.1 FIXEDHF 0.800 0 0.0 0 134 8e 1D1422 141.5 0.0 176.9 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s2 135 8f 1D1428 -405.5 0.0 -506.9 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s3d 136 8f 1E1428 -1617.2 0.0 -2021.5 FIXEDHF 0.800 0 0.0 0 137 8g 0D1433 757.8 0.0 947.3 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3p2 138 8g 2D1433 -15.4 0.0 -19.3 FIXEDHF 0.800 0 0.0 0 139 9e 1D1422 127.0 0.0 158.8 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s2 140 9f 1D1428 -344.4 0.0 -430.5 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s3d 141 9f 1E1428 -1378.6 0.0 -1723.2 FIXEDHF 0.800 0 0.0 0 142 9g 0D1433 652.1 0.0 815.1 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3p2 143 9g 2D1433 -7.8 0.0 -9.7 FIXEDHF 0.800 0 0.0 0 144 Ae 1D1422 114.2 0.0 142.8 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s2 145 Af 1D1428 -297.5 0.0 -371.9 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s3d 146 Af 1E1428 -1194.2 0.0 -1492.8 FIXEDHF 0.800 0 0.0 0 147 Ag 0D1433 568.9 0.0 711.1 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3p2 148 Ag 2D1433 -3.1 0.0 -3.9 FIXEDHF 0.800 0 0.0 0 149 Be 1D1422 103.1 0.0 128.9 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s2 150 Bf 1D1428 -260.6 0.0 -325.7 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s3d 151 Bf 1E1428 -1048.2 0.0 -1310.3 FIXEDHF 0.800 0 0.0 0 152 Bg 0D1433 502.0 0.0 627.5 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3p2 153 Bg 2D1433 -0.3 0.0 -0.4 FIXEDHF 0.800 0 0.0 0 154 Ce 1D1422 93.5 0.0 116.9 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s2 155 Cf 1D1428 -230.8 0.0 -288.5 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s3d 156 Cf 1E1428 -930.1 0.0 -1162.6 FIXEDHF 0.800 0 0.0 0 157 Cg 0D1433 447.4 0.0 559.2 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3p2 158 Cg 2D1433 1.4 0.0 1.8 FIXEDHF 0.800 0 0.0 0 159 Df 1D1528 4021.8 0.0 5027.3 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3s3d 160 Df 3E1528 3634.2 0.0 4542.7 FIXEDHF 0.800 0 0.0 0 161 Dg 2D1533 3816.8 0.0 4771.0 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3p2 162 Ef 1D1528 2840.9 0.0 3551.1 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3s3d 163 Ef 3E1528 2950.7 0.0 3688.4 FIXEDHF 0.800 0 0.0 0 164 Eg 2D1533 2946.6 0.0 3683.3 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3p2 165 Ff 1D1528 2112.6 0.0 2640.7 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3s3d 166 Ff 3E1528 2343.2 0.0 2929.0 FIXEDHF 0.800 0 0.0 0 167 Fg 2D1533 2282.7 0.0 2853.4 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3p2 168 Gf 1D1528 1647.7 0.0 2059.6 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3s3d 169 Gf 3E1528 1896.7 0.0 2370.9 FIXEDHF 0.800 0 0.0 0 170 Gg 2D1533 1821.7 0.0 2277.1 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3p2 171 Hf 1D1528 1331.8 0.0 1664.8 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3s3d 172 Hf 3E1528 1569.4 0.0 1961.7 FIXEDHF 0.800 0 0.0 0 173 Hg 2D1533 1493.8 0.0 1867.2 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3p2 174 If 1D1528 1106.0 0.0 1382.5 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3s3d 175 If 3E1528 1323.8 0.0 1654.8 FIXEDHF 0.800 0 0.0 0 176 Ig 2D1533 1252.5 0.0 1565.6 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3p2 177 Jf 1D1528 937.8 0.0 1172.3 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3s3d 178 Jf 3E1528 1135.1 0.0 1418.9 FIXEDHF 0.800 0 0.0 0 179 Jg 2D1533 1069.4 0.0 1336.7 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3p2 180 Kf 1D1528 808.6 0.0 1010.8 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3s3d 181 Kf 3E1528 986.8 0.0 1233.5 FIXEDHF 0.800 0 0.0 0 182 Kg 2D1533 926.6 0.0 1158.3 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3p2 183 Lf 1D1528 706.8 0.0 883.5 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3s3d 184 Lf 3E1528 867.9 0.0 1084.9 FIXEDHF 0.800 0 0.0 0 185 Lg 2D1533 813.0 0.0 1016.3 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3p2 186 Mf 1D1528 624.8 0.0 781.0 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3s3d 187 Mf 3E1528 771.0 0.0 963.7 FIXEDHF 0.800 0 0.0 0 188 Mg 2D1533 720.8 0.0 901.0 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3p2 189 Nf 1D1528 557.6 0.0 697.0 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3s3d 190 Nf 3E1528 690.7 0.0 863.4 FIXEDHF 0.800 0 0.0 0 191 Ng 2D1533 644.8 0.0 806.0 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3p2 192 ef 2D1218 12613.2 0.0 15766.5 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3s3d 193 ef 1E1218 -5076.5 0.0 -6345.6 FIXEDHF 0.800 0 0.0 0 194 eg 1D2233 75627.0 0.0 94533.7 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3p2 195 fg 1D2833 69880.9 0.0 87351.1 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3p2 15.04 J 0.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 105873.6 105873.609 0.0 0.666 3p 2P 0.999 1(2P)2P 1 2 401169.2 401169.182 0.0 0.666 4p 2P -1.000 2(2P)2P 2 3 522029.1 522029.051 0.0 0.666 5p 2P 1.000 3(2P)2P 3 4 583551.3 583551.281 0.0 0.666 6p 2P 1.000 4(2P)2P 4 5 619142.9 619142.952 0.1 0.666 7p 2P 1.000 5(2P)2P 5 6 641580. R 641581.177 1.2 0.666 8p 2P 1.000 6(2P)2P 6 7 656641. R 656641.265 0.3 0.666 9p 2P -1.000 7(2P)2P 7 8 667324.380 0.666 1.000 8(2P)2P 8 9 675058.542 0.666 -1.000 9(2P)2P 9 10 680879.667 0.666 -1.000 A(2P)2P 10 11 685365.881 0.666 1.000 B(2P)2P 11 12 688901.854 0.666 1.000 C(2P)2P 12 13 1334661.337 0.666 -0.985 e(2P)2P 13 -0.172 g(1S)2P 22 14 1521461.276 0.693 0.765 g(1D)2P 21 -0.486 g(3P)2P 20 -0.297 f(3P)2P 17 15 1530707.718 2.597 0.975 g(3P)4P 19 -0.151 g(3P)2S 23 0.112 g(1D)2P 21 16 1544748.133 0.033 3p2(3P) 4D -0.989 g(3P)4D 18 -0.097 g(3P)4P 19 0.078 g(1D)2P 21 17 1558107.558 2.012 0.986 g(3P)2S 23 0.153 g(3P)4P 19 0.038 g(3P)2P 20 18 1567043.3 X1566621.054 -422.2 2.655 3s3P3d 4P 0.997 f(3P)4P 15 -0.065 f(3P)4D 14 -0.044 f(1P)2P 16 19 1578788.877 0.657 0.625 g(3P)2P 20 0.511 f(1P)2P 16 -0.427 g(1S)2P 22 20 1587660.572 0.146 -0.885 f(3P)4D 14 0.295 f(1P)2P 16 0.247 f(3P)2P 17 J 0.5 21 1597230.877 0.583 -0.682 g(1S)2P 22 -0.569 f(1P)2P 16 -0.362 f(3P)4D 14 22 1602136.011 0.627 0.518 g(1S)2P 22 -0.493 f(1P)2P 16 0.445 g(3P)2P 20 23 1626696.217 0.665 0.735 f(3P)2P 17 0.555 g(1D)2P 21 0.346 g(3P)2P 20 23 VECTORS WRITTEN TO UNIT 3 15.04 J 1.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 107137.7 107137.687 0.0 1.334 3p 2P 0.999 1(2P)2P 1 2 401627.1 401627.150 0.1 1.334 4p 2P -1.000 2(2P)2P 2 3 522249.5 522249.496 0.0 1.334 5p 2P 1.000 3(2P)2P 3 4 583674.1 583674.038 -0.1 1.334 6p 2P 1.000 4(2P)2P 4 5 619218.4 619218.438 0.0 1.334 7p 2P -1.000 5(2P)2P 5 6 641631. R 641629.801 -1.2 1.334 8p 2P 1.000 6(2P)2P 6 7 656675. R 656674.732 -0.3 1.334 9p 2P 1.000 7(2P)2P 7 8 667348.393 1.334 1.000 8(2P)2P 8 9 675076.401 1.334 -1.000 9(2P)2P 9 10 680893.175 1.334 -1.000 A(2P)2P 10 11 685376.536 1.334 1.000 B(2P)2P 11 12 688910.258 1.334 1.000 C(2P)2P 12 13 1324521.725 1.334 -0.985 e(2P)2P 13 -0.172 g(1S)2P 28 14 1523571.811 1.351 0.708 g(1D)2P 27 -0.481 g(3P)2P 26 -0.296 g(3P)4P 22 15 1529315.351 1.688 -0.928 g(3P)4P 22 -0.237 g(1D)2P 27 0.151 g(3P)4S 23 16 1540339.6 X1540538.559 199.0 1.036 3p2(3P) 4D 0.742 g(3P)4D 21 0.631 g(3P)2D 24 0.163 g(1D)2D 25 17 1546939.696 0.946 -0.574 g(1D)2D 25 0.557 g(3P)4D 21 -0.476 g(3P)2D 24 18 1550354.466 0.865 0.610 g(3P)2D 24 -0.607 g(1D)2D 25 -0.322 g(3P)4D 21 19 1558089.831 1.983 0.981 g(3P)4S 23 0.146 g(3P)4P 22 0.075 g(1D)2P 27 20 1568209.1 X1567872.052 -337.0 1.721 3s3P3d 4P 0.987 f(3P)4P 16 -0.128 f(3P)4D 15 -0.076 f(1P)2P 19 J 1.5 21 1577092.192 1.332 0.699 g(1S)2P 28 -0.437 g(3P)2P 26 -0.397 f(1P)2P 19 22 1578524.4 X1579168.049 643.6 0.466 3s3P3d 4F -0.938 f(3P)4F 14 0.233 f(1P)2D 17 0.210 f(3P)4D 15 23 1587825.039 1.222 -0.793 f(3P)4D 15 0.455 f(1P)2P 19 0.282 g(1S)2P 28 24 1592284.791 1.088 -0.456 f(1P)2P 19 -0.452 f(1P)2D 17 -0.440 f(3P)4D 15 25 1594773.457 1.001 -0.642 f(1P)2D 17 -0.392 f(3P)2D 18 0.372 g(1S)2P 28 26 1600894.186 1.305 -0.523 f(3P)2P 20 -0.518 f(1P)2P 19 0.465 g(3P)2P 26 27 1627624.550 1.120 -0.546 f(3P)2P 20 0.457 f(3P)2D 18 -0.440 g(1D)2P 27 28 1636910.405 1.015 0.555 f(3P)2D 18 0.468 f(3P)2P 20 -0.385 f(1P)2D 17 28 VECTORS WRITTEN TO UNIT 3 15.04 J 2.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 462650.1 462644.553 -5.5 0.857 4f 2F 1.000 D(1S)2F 1 2 551759.6 551756.762 -2.8 0.857 5f 2F -1.000 E(1S)2F 2 3 600189.4 600187.841 -1.6 0.857 6f 2F 1.000 F(1S)2F 3 4 629390.3 629389.203 -1.1 0.857 7f 2F 1.000 G(1S)2F 4 5 648343.2 648342.465 -0.7 0.857 8f 2F 1.000 H(1S)2F 5 6 661327. 661326.524 -0.5 0.857 9f 2F -1.000 I(1S)2F 6 7 670626. 670625.626 -0.4 0.857 10f 2F 1.000 J(1S)2F 7 8 677570.194 0.857 -1.000 K(1S)2F 8 9 682802.842 0.857 -1.000 L(1S)2F 9 10 686871.476 0.857 1.000 M(1S)2F 10 11 690099.800 0.857 1.000 N(1S)2F 11 12 1526781.8 X1526788.191 6.4 1.591 3p2(3P) 4P -0.980 g(3P)4P 20 0.182 g(3P)4D 19 -0.073 g(3P)2D 22 13 1535098.811 0.913 0.808 g(1D)2F 21 -0.378 f(3P)2F 16 -0.347 g(1D)2D 23 14 1539279.2 X1539125.278 -153.9 1.340 3p2(3P) 4D -0.885 g(3P)4D 19 -0.437 g(3P)2D 22 -0.131 g(3P)4P 20 15 1546044.283 1.161 -0.752 g(1D)2D 23 0.374 f(3P)2D 18 -0.331 g(1D)2F 21 16 1552555.320 1.227 -0.851 g(3P)2D 22 0.375 g(3P)4D 19 0.271 g(1D)2D 23 17 1570381.8 X1570241.945 -139.9 1.586 3s3P3d 4P 0.973 f(3P)4P 14 -0.182 f(3P)4D 13 0.119 f(1P)2D 17 18 1576284.8 X1576582.953 298.2 1.018 3s3P3d 4F 0.904 f(3P)4F 12 0.319 f(1P)2F 15 0.192 f(3P)2F 16 19 1583500. 1583450.150 -49.8 0.985 3s3P3d 4D -0.716 f(1P)2F 15 -0.433 f(3P)4D 13 -0.431 f(3P)2F 16 20 1591200. 1590327.171 -872.8 1.261 3s1P3d 2F 0.845 f(3P)4D 13 0.334 f(3P)4F 12 -0.326 f(1P)2F 15 J 2.5 21 1595500. 1595483.919 -16.1 1.210 3s1P3d 2D -0.789 f(1P)2D 17 -0.521 f(3P)2D 18 0.192 f(3P)4D 13 22 1622003.210 0.928 -0.666 f(3P)2F 16 0.420 f(1P)2F 15 -0.417 g(1D)2F 21 23 1632423.706 1.130 -0.639 f(3P)2D 18 0.448 f(1P)2D 17 -0.430 g(1D)2D 23 23 VECTORS WRITTEN TO UNIT 3 15.04 J 3.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 462650.1 462655.737 5.6 1.143 4f 2F 1.000 D(1S)2F 1 2 551759.6 551762.352 2.8 1.143 5f 2F -1.000 E(1S)2F 2 3 600189.4 600190.984 1.6 1.143 6f 2F -1.000 F(1S)2F 3 4 629390.3 629391.298 1.0 1.143 7f 2F -1.000 G(1S)2F 4 5 648343.2 648343.862 0.7 1.143 8f 2F -1.000 H(1S)2F 5 6 661327. 661327.572 0.6 1.143 9f 2F -1.000 I(1S)2F 6 7 670626. 670626.324 0.3 1.143 10f 2F -1.000 J(1S)2F 7 8 677570.893 1.143 1.000 K(1S)2F 8 9 682803.191 1.143 -1.000 L(1S)2F 9 10 686871.825 1.143 -1.000 M(1S)2F 10 11 690100.150 1.143 1.000 N(1S)2F 11 12 1528980.306 1.145 0.881 g(1D)2F 17 -0.411 f(3P)2F 15 0.223 f(1P)2F 14 13 1537612.7 X1537561.564 -51.1 1.428 3p2(3P) 4D 0.997 g(3P)4D 16 0.062 g(1D)2F 17 -0.033 f(3P)2F 15 14 1574292.3 X1574636.869 344.6 1.235 3s3P3d 4F -0.949 f(3P)4F 12 -0.239 f(1P)2F 14 -0.145 f(3P)2F 15 15 1583500. 1583531.410 31.4 1.295 3s3P3d 4D 0.725 f(3P)4D 13 0.581 f(1P)2F 14 0.358 f(3P)2F 15 16 1591200. 1591330.551 130.6 1.282 3s1P3d 2F 0.673 f(3P)4D 13 -0.570 f(1P)2F 14 -0.361 f(3P)2F 15 17 1616249.526 1.143 -0.742 f(3P)2F 15 0.480 f(1P)2F 14 -0.468 g(1D)2F 17 17 VECTORS WRITTEN TO UNIT 3 15.04 J 4.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 600448.9 600448.100 -0.8 0.909 6h 2H 1.000 O(1S)2H 1 2 629563.8 629563.300 -0.5 0.909 7h 2H 1.000 P(1S)2H 2 3 648554.500 0.909 1.000 Q(1S)2H 3 4 661512.000 0.909 1.000 R(1S)2H 4 5 670779.600 0.909 1.000 S(1S)2H 5 6 677637.100 0.909 1.000 T(1S)2H 6 7 682854.700 0.909 1.000 U(1S)2H 7 8 686912.300 0.909 1.000 V(1S)2H 8 9 690134.300 0.909 1.000 W(1S)2H 9 10 1572481.4 X1572870.134 388.7 1.334 3s3P3d 4F 1.000 f(3P)4F 10 10 VECTORS WRITTEN TO UNIT 3 15.04 J 5.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 600448.9 600449.750 0.8 1.091 6h 2H 1.000 O(1S)2H 1 2 629563.8 629564.400 0.6 1.091 7h 2H 1.000 P(1S)2H 2 3 648555.050 1.091 1.000 Q(1S)2H 3 4 661512.550 1.091 1.000 R(1S)2H 4 5 670780.150 1.091 1.000 S(1S)2H 5 6 677637.650 1.091 1.000 T(1S)2H 6 7 682854.700 1.091 1.000 U(1S)2H 7 8 686912.300 1.091 1.000 V(1S)2H 8 9 690134.300 1.091 1.000 W(1S)2H 9 9 VECTORS WRITTEN TO UNIT 3 15.04 J 6.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 648563.900 0.933 1.000 X(1S)2K 1 2 661519.300 0.933 1.000 Y(1S)2K 2 3 670786.400 0.933 1.000 Z(1S)2K 3 4 677643.000 0.933 1.000 a(1S)2K 4 5 682857.300 0.933 1.000 b(1S)2K 5 6 686915.400 0.933 1.000 c(1S)2K 6 7 690136.900 0.933 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 15.04 J 7.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 648564.650 1.067 1.000 X(1S)2K 1 2 661519.300 1.067 1.000 Y(1S)2K 2 3 670786.400 1.067 1.000 Z(1S)2K 3 4 677643.000 1.067 1.000 a(1S)2K 4 5 682857.300 1.067 1.000 b(1S)2K 5 6 686915.400 1.067 1.000 c(1S)2K 6 7 690136.900 1.067 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 19-AUG-2016 17:30:41.92 Accounting information: Buffered I/O count: 154 Peak working set size: 9392 Direct I/O count: 224 Peak virtual size: 322592 Page faults: 2066 Mounted volumes: 0 Charged CPU time: 0 00:00:00.20 Elapsed time: 0 00:00:15.63