$ 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 B1605O.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 0 0 0 0 0.300 1.500 2 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 2 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 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 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 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 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 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 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 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 15.04 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 2p6 3p 1 1 EAV 108799.3 209.9 0.0 108799.3 106727.8 0.000 1.000 0 -3100.0 0 2 1 ZETA 3 840.9 279.9 0.0 840.9 883.1 0.952 1.000 0 0.0 0 2p6 4p 3 2 EAV 401560.3 209.6 0.0 401560.3 404330.1 0.000 1.000 0 -3100.0 0 4 2 ZETA 4 305.2 279.5 0.0 305.2 318.0 0.960 1.000 0 0.0 0 2p6 5p 5 3 EAV 522214.6 209.6 0.0 522214.6 525294.3 0.000 1.000 0 -3100.0 0 6 3 ZETA 4 146.9 279.5 0.0 146.9 149.1 0.985 1.000 0 0.0 0 2p6 6p 7 4 EAV 583654.1 209.6 0.0 583654.1 586803.8 0.000 1.000 0 -3100.0 0 8 4 ZETA 4 81.8 279.5 0.0 81.8 81.8 1.000 1.000 0 0.0 0 2p6 7p 9 5 EAV 619206.0 209.6 0.0 619206.0 622379.9 0.000 1.000 0 -3100.0 0 10 5 ZETA 4 50.3 279.5 0.0 50.3 49.6 1.014 1.000 0 0.0 0 2p6 8p 11 6 EAV 641621.9 209.6 0.0 641621.9 644808.6 0.000 1.000 0 -3100.0 0 12 6 ZETA 4 32.4 0.0 0.0 32.4 32.4 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9p 13 7 EAV 656669.3 209.6 0.0 656669.3 659858.6 0.000 1.000 0 -3100.0 0 14 7 ZETA 4 22.3 0.0 0.0 22.3 22.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 10p 15 8 EAV 667344.5 0.0 0.0 667344.5 670444.5 0.000 FIXEDHF 1.000 0 -3100.0 0 16 8 ZETA 4 16.0 0.0 0.0 16.0 16.0 1.000 FIXEDHF 1.000 0 0.0 0 2p6 11p 17 9 EAV 675073.5 0.0 0.0 675073.5 678173.5 0.000 FIXEDHF 1.000 0 -3100.0 0 18 9 ZETA 4 11.9 0.0 0.0 11.9 11.9 1.000 FIXEDHF 1.000 0 0.0 0 2p6 12p 19 A EAV 680891.0 0.0 0.0 680891.0 683991.0 0.000 FIXEDHF 1.000 0 -3100.0 0 20 A ZETA 4 9.0 0.0 0.0 9.0 9.0 1.000 FIXEDHF 1.000 0 0.0 0 2p6 13p 21 B EAV 685374.8 0.0 0.0 685374.8 688474.8 0.000 FIXEDHF 1.000 0 -3100.0 0 22 B ZETA 4 7.1 0.0 0.0 7.1 7.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 14p 23 C EAV 688908.9 0.0 0.0 688908.9 692008.9 0.000 FIXEDHF 1.000 0 -3100.0 0 24 C ZETA 4 5.6 0.0 0.0 5.6 5.6 1.000 FIXEDHF 1.000 0 0.0 0 2p6 4f 25 D EAV 462654.8 209.6 0.0 462654.8 465163.0 0.000 1.000 0 -3100.0 0 26 D ZETA 5 3.2 0.0 0.0 3.2 3.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 5f 27 E EAV 551762.1 209.6 0.0 551762.1 554647.6 0.000 1.000 0 -3100.0 0 28 E ZETA 5 1.6 0.0 0.0 1.6 1.6 1.000 FIXEDHF 1.000 0 0.0 0 2p6 6f 29 F EAV 600190.9 209.6 0.0 600190.9 603225.8 0.000 1.000 0 -3100.0 0 30 F ZETA 5 0.9 0.0 0.0 0.9 0.9 1.000 FIXEDHF 1.000 0 0.0 0 2p6 7f 31 G EAV 629391.2 209.6 0.0 629391.2 632495.6 0.000 1.000 0 -3100.0 0 32 G ZETA 5 0.6 0.0 0.0 0.6 0.6 1.000 FIXEDHF 1.000 0 0.0 0 2p6 8f 33 H EAV 648343.8 209.6 0.0 648343.8 651480.7 0.000 1.000 0 -3100.0 0 34 H ZETA 5 0.4 0.0 0.0 0.4 0.4 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9f 35 I EAV 661327.5 209.6 0.0 661327.5 664491.1 0.000 1.000 0 -3100.0 0 36 I ZETA 5 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 10f 37 J EAV 670626.3 209.6 0.0 670626.3 673792.6 0.000 1.000 0 -3100.0 0 38 J ZETA 5 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 11f 39 K EAV 677570.8 0.0 0.0 677570.8 680670.8 0.000 FIXEDHF 1.000 0 -3100.0 0 40 K ZETA 5 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 12f 41 L EAV 682803.2 0.0 0.0 682803.2 685903.2 0.000 FIXEDHF 1.000 0 -3100.0 0 42 L ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 13f 43 M EAV 686871.8 0.0 0.0 686871.8 689971.8 0.000 FIXEDHF 1.000 0 -3100.0 0 44 M ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 14f 45 N EAV 690100.1 0.0 0.0 690100.1 693200.1 0.000 FIXEDHF 1.000 0 -3100.0 0 46 N ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 6h 47 O EAV 600449.0 209.6 0.0 600449.0 603643.5 0.000 1.000 0 -3100.0 0 48 O ZETA 6 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 7h 49 P EAV 629563.9 209.6 0.0 629563.9 632757.3 0.000 1.000 0 -3100.0 0 50 P ZETA 6 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 8h 51 Q EAV 648554.8 0.0 0.0 648554.8 651654.8 0.000 FIXEDHF 1.000 0 -3100.0 0 52 Q ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9h 53 R EAV 661512.3 0.0 0.0 661512.3 664612.3 0.000 FIXEDHF 1.000 0 -3100.0 0 54 R ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 10h 55 S EAV 670779.9 0.0 0.0 670779.9 673879.9 0.000 FIXEDHF 1.000 0 -3100.0 0 56 S ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 11h 57 T EAV 677637.4 0.0 0.0 677637.4 680737.4 0.000 FIXEDHF 1.000 0 -3100.0 0 58 T ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 12h 59 U EAV 682854.7 0.0 0.0 682854.7 685954.7 0.000 FIXEDHF 1.000 0 -3100.0 0 60 U ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13h 61 V EAV 686912.3 0.0 0.0 686912.3 690012.3 0.000 FIXEDHF 1.000 0 -3100.0 0 62 V ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14h 63 W EAV 690134.3 0.0 0.0 690134.3 693234.3 0.000 FIXEDHF 1.000 0 -3100.0 0 64 W ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8k 65 X EAV 648564.3 0.0 0.0 648564.3 651664.3 0.000 FIXEDHF 1.000 0 -3100.0 0 66 X ZETA 7 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9k 67 Y EAV 661519.3 0.0 0.0 661519.3 664619.3 0.000 FIXEDHF 1.000 0 -3100.0 0 68 Y ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10k 69 Z EAV 670786.4 0.0 0.0 670786.4 673886.4 0.000 FIXEDHF 1.000 0 -3100.0 0 70 Z ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11k 71 a EAV 677643.0 0.0 0.0 677643.0 680743.0 0.000 FIXEDHF 1.000 0 -3100.0 0 72 a ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12k 73 b EAV 682857.3 0.0 0.0 682857.3 685957.3 0.000 FIXEDHF 1.000 0 -3100.0 0 74 b ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13k 75 c EAV 686915.4 0.0 0.0 686915.4 690015.4 0.000 FIXEDHF 1.000 0 -3100.0 0 76 c ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14k 77 d EAV 690136.9 0.0 0.0 690136.9 693236.9 0.000 FIXEDHF 1.000 0 -3100.0 0 78 d ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p5 3s2 79 e EAV 1335709.3 0.0 0.0 1335709.3 1335709.3 0.000 FIXEDHF 1.000 0 0.0 0 80 e ZETA 1 6766.6 0.0 0.0 6766.6 6766.6 1.000 FIXEDHF 1.000 0 0.0 0 2p5 3s3d 81 f EAV 1587962.2 85.6 0.0 1587962.2 1585727.6 0.000 1.000 0 0.0 0 82 f ZETA 1 6796.3 0.0 0.0 6796.3 6796.3 1.000 FIXEDHF 1.000 0 0.0 0 83 f ZETA 8 45.2 0.0 0.0 45.2 45.2 1.000 FIXEDHF 1.000 0 0.0 0 84 f F2(18) 45719.9 726.0 0.0 45719.9 36289.4 1.260 0.800 0 0.0 0 85 f G1(12) 11558.6 858.6 0.0 11558.6 17786.3 0.650 0.800 0 0.0 0 86 f G1(18) 20905.5 0.0 0.0 20905.5 26131.9 0.800 FIXEDHF 0.800 0 0.0 0 87 f G3(18) 11882.2 0.0 0.0 11882.2 14852.8 0.800 FIXEDHF 0.800 0 0.0 0 88 f G2(28) 52971.8 0.0 0.0 52971.8 66214.7 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3p2 89 g EAV 1551922.8 148.6 0.0 1551922.8 1550780.6 0.000 1.000 0 0.0 0 90 g F2(33) 56445.1 0.0 0.0 56445.1 70556.4 0.800 FIXEDHF 0.800 0 0.0 0 91 g ALPHA 0.0 0.0 0.0 0.0 0.0 0.000 FIXED 1.000 0 0.0 0 92 g ZETA 1 6753.2 0.0 0.0 6753.2 6753.2 1.000 FIXEDHF 1.000 0 0.0 0 93 g ZETA 3 989.4 0.0 0.0 989.4 989.4 1.000 FIXEDHF 1.000 0 0.0 0 94 g F2(13) 47578.5 1489.8 0.0 47578.5 39285.4 1.211 0.800 0 0.0 0 95 g G0(13) 14418.3 0.0 0.0 14418.3 18022.9 0.800 FIXEDHF 0.800 0 0.0 0 96 g G2(13) 13847.3 0.0 0.0 13847.3 17309.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s2 97 1e 1D1322 -6091.2 0.0 0.0 -6091.2 -7614.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s3d 98 1f 1D1328 -10718.0 0.0 0.0 -10718.0 -13397.5 0.800 FIXEDHF 0.800 0 0.0 0 99 1f 1E1328 -28670.6 0.0 0.0 -28670.6 -35838.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3p2 100 1g 0D1113 7127.4 0.0 0.0 7127.4 8909.3 0.800 FIXEDHF 0.800 0 0.0 0 101 1g 2D1113 32056.4 0.0 0.0 32056.4 40070.5 0.800 FIXEDHF 0.800 0 0.0 0 102 1g 0D1333 349.9 0.0 0.0 349.9 437.4 0.800 FIXEDHF 0.800 0 0.0 0 103 1g 2D1333 -6472.2 0.0 0.0 -6472.2 -8090.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s2 104 2e 1D1422 -624.8 0.0 0.0 -624.8 -781.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s3d 105 2f 1D1428 -2947.9 0.0 0.0 -2947.9 -3684.9 0.800 FIXEDHF 0.800 0 0.0 0 106 2f 1E1428 -10431.8 0.0 0.0 -10431.8 -13039.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3p2 107 2g 0D1433 3467.0 0.0 0.0 3467.0 4333.7 0.800 FIXEDHF 0.800 0 0.0 0 108 2g 2D1433 -1327.0 0.0 0.0 -1327.0 -1658.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s2 109 3e 1D1422 28.6 0.0 0.0 28.6 35.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s3d 110 3f 1D1428 -1610.5 0.0 0.0 -1610.5 -2013.1 0.800 FIXEDHF 0.800 0 0.0 0 111 3f 1E1428 -6011.5 0.0 0.0 -6011.5 -7514.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3p2 112 3g 0D1433 2352.5 0.0 0.0 2352.5 2940.6 0.800 FIXEDHF 0.800 0 0.0 0 113 3g 2D1433 -466.8 0.0 0.0 -466.8 -583.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s2 114 4e 1D1422 159.5 0.0 0.0 159.5 199.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s3d 115 4f 1D1428 -1066.3 0.0 0.0 -1066.3 -1332.9 0.800 FIXEDHF 0.800 0 0.0 0 116 4f 1E1428 -4091.0 0.0 0.0 -4091.0 -5113.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3p2 117 4g 0D1433 1730.8 0.0 0.0 1730.8 2163.5 0.800 FIXEDHF 0.800 0 0.0 0 118 4g 2D1433 -204.7 0.0 0.0 -204.7 -255.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s2 119 5e 1D1422 180.2 0.0 0.0 180.2 225.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s3d 120 5f 1D1428 -779.2 0.0 0.0 -779.2 -974.0 0.800 FIXEDHF 0.800 0 0.0 0 121 5f 1E1428 -3038.1 0.0 0.0 -3038.1 -3797.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3p2 122 5g 0D1433 1343.0 0.0 0.0 1343.0 1678.8 0.800 FIXEDHF 0.800 0 0.0 0 123 5g 2D1433 -101.0 0.0 0.0 -101.0 -126.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s2 124 6e 1D1422 172.3 0.0 0.0 172.3 215.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s3d 125 6f 1D1428 -604.4 0.0 0.0 -604.4 -755.5 0.800 FIXEDHF 0.800 0 0.0 0 126 6f 1E1428 -2381.2 0.0 0.0 -2381.2 -2976.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3p2 127 6g 0D1433 1081.8 0.0 0.0 1081.8 1352.3 0.800 FIXEDHF 0.800 0 0.0 0 128 6g 2D1433 -53.3 0.0 0.0 -53.3 -66.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s2 129 7e 1D1422 157.3 0.0 0.0 157.3 196.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s3d 130 7f 1D1428 -488.0 0.0 0.0 -488.0 -610.0 0.800 FIXEDHF 0.800 0 0.0 0 131 7f 1E1428 -1936.3 0.0 0.0 -1936.3 -2420.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3p2 132 7g 0D1433 895.8 0.0 0.0 895.8 1119.8 0.800 FIXEDHF 0.800 0 0.0 0 133 7g 2D1433 -28.9 0.0 0.0 -28.9 -36.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s2 134 8e 1D1422 141.5 0.0 0.0 141.5 176.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s3d 135 8f 1D1428 -405.5 0.0 0.0 -405.5 -506.9 0.800 FIXEDHF 0.800 0 0.0 0 136 8f 1E1428 -1617.2 0.0 0.0 -1617.2 -2021.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3p2 137 8g 0D1433 757.8 0.0 0.0 757.8 947.3 0.800 FIXEDHF 0.800 0 0.0 0 138 8g 2D1433 -15.4 0.0 0.0 -15.4 -19.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s2 139 9e 1D1422 127.0 0.0 0.0 127.0 158.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s3d 140 9f 1D1428 -344.4 0.0 0.0 -344.4 -430.5 0.800 FIXEDHF 0.800 0 0.0 0 141 9f 1E1428 -1378.6 0.0 0.0 -1378.6 -1723.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3p2 142 9g 0D1433 652.1 0.0 0.0 652.1 815.1 0.800 FIXEDHF 0.800 0 0.0 0 143 9g 2D1433 -7.8 0.0 0.0 -7.8 -9.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s2 144 Ae 1D1422 114.2 0.0 0.0 114.2 142.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s3d 145 Af 1D1428 -297.5 0.0 0.0 -297.5 -371.9 0.800 FIXEDHF 0.800 0 0.0 0 146 Af 1E1428 -1194.2 0.0 0.0 -1194.2 -1492.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3p2 147 Ag 0D1433 568.9 0.0 0.0 568.9 711.1 0.800 FIXEDHF 0.800 0 0.0 0 148 Ag 2D1433 -3.1 0.0 0.0 -3.1 -3.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s2 149 Be 1D1422 103.1 0.0 0.0 103.1 128.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s3d 150 Bf 1D1428 -260.6 0.0 0.0 -260.6 -325.7 0.800 FIXEDHF 0.800 0 0.0 0 151 Bf 1E1428 -1048.2 0.0 0.0 -1048.2 -1310.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3p2 152 Bg 0D1433 502.0 0.0 0.0 502.0 627.5 0.800 FIXEDHF 0.800 0 0.0 0 153 Bg 2D1433 -0.3 0.0 0.0 -0.3 -0.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s2 154 Ce 1D1422 93.5 0.0 0.0 93.5 116.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s3d 155 Cf 1D1428 -230.8 0.0 0.0 -230.8 -288.5 0.800 FIXEDHF 0.800 0 0.0 0 156 Cf 1E1428 -930.1 0.0 0.0 -930.1 -1162.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3p2 157 Cg 0D1433 447.4 0.0 0.0 447.4 559.2 0.800 FIXEDHF 0.800 0 0.0 0 158 Cg 2D1433 1.4 0.0 0.0 1.4 1.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3s3d 159 Df 1D1528 4021.8 0.0 0.0 4021.8 5027.3 0.800 FIXEDHF 0.800 0 0.0 0 160 Df 3E1528 3634.2 0.0 0.0 3634.2 4542.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3p2 161 Dg 2D1533 3816.8 0.0 0.0 3816.8 4771.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3s3d 162 Ef 1D1528 2840.9 0.0 0.0 2840.9 3551.1 0.800 FIXEDHF 0.800 0 0.0 0 163 Ef 3E1528 2950.7 0.0 0.0 2950.7 3688.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3p2 164 Eg 2D1533 2946.6 0.0 0.0 2946.6 3683.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3s3d 165 Ff 1D1528 2112.6 0.0 0.0 2112.6 2640.7 0.800 FIXEDHF 0.800 0 0.0 0 166 Ff 3E1528 2343.2 0.0 0.0 2343.2 2929.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3p2 167 Fg 2D1533 2282.7 0.0 0.0 2282.7 2853.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3s3d 168 Gf 1D1528 1647.7 0.0 0.0 1647.7 2059.6 0.800 FIXEDHF 0.800 0 0.0 0 169 Gf 3E1528 1896.7 0.0 0.0 1896.7 2370.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3p2 170 Gg 2D1533 1821.7 0.0 0.0 1821.7 2277.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3s3d 171 Hf 1D1528 1331.8 0.0 0.0 1331.8 1664.8 0.800 FIXEDHF 0.800 0 0.0 0 172 Hf 3E1528 1569.4 0.0 0.0 1569.4 1961.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3p2 173 Hg 2D1533 1493.8 0.0 0.0 1493.8 1867.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3s3d 174 If 1D1528 1106.0 0.0 0.0 1106.0 1382.5 0.800 FIXEDHF 0.800 0 0.0 0 175 If 3E1528 1323.8 0.0 0.0 1323.8 1654.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3p2 176 Ig 2D1533 1252.5 0.0 0.0 1252.5 1565.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3s3d 177 Jf 1D1528 937.8 0.0 0.0 937.8 1172.3 0.800 FIXEDHF 0.800 0 0.0 0 178 Jf 3E1528 1135.1 0.0 0.0 1135.1 1418.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3p2 179 Jg 2D1533 1069.4 0.0 0.0 1069.4 1336.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3s3d 180 Kf 1D1528 808.6 0.0 0.0 808.6 1010.8 0.800 FIXEDHF 0.800 0 0.0 0 181 Kf 3E1528 986.8 0.0 0.0 986.8 1233.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3p2 182 Kg 2D1533 926.6 0.0 0.0 926.6 1158.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3s3d 183 Lf 1D1528 706.8 0.0 0.0 706.8 883.5 0.800 FIXEDHF 0.800 0 0.0 0 184 Lf 3E1528 867.9 0.0 0.0 867.9 1084.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3p2 185 Lg 2D1533 813.0 0.0 0.0 813.0 1016.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3s3d 186 Mf 1D1528 624.8 0.0 0.0 624.8 781.0 0.800 FIXEDHF 0.800 0 0.0 0 187 Mf 3E1528 771.0 0.0 0.0 771.0 963.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3p2 188 Mg 2D1533 720.8 0.0 0.0 720.8 901.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3s3d 189 Nf 1D1528 557.6 0.0 0.0 557.6 697.0 0.800 FIXEDHF 0.800 0 0.0 0 190 Nf 3E1528 690.7 0.0 0.0 690.7 863.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3p2 191 Ng 2D1533 644.8 0.0 0.0 644.8 806.0 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3s3d 192 ef 2D1218 12613.2 0.0 0.0 12613.2 15766.5 0.800 FIXEDHF 0.800 0 0.0 0 193 ef 1E1218 -5076.5 0.0 0.0 -5076.5 -6345.6 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3p2 194 eg 1D2233 75627.0 0.0 0.0 75627.0 94533.7 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3p2 195 fg 1D2833 69880.9 0.0 0.0 69880.9 87351.1 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 296.4 26 FREE ITERATION 1 KURUCZ job terminated at 19-AUG-2016 17:30:26.21 Accounting information: Buffered I/O count: 173 Peak working set size: 9632 Direct I/O count: 312 Peak virtual size: 322592 Page faults: 2081 Mounted volumes: 0 Charged CPU time: 0 00:00:00.16 Elapsed time: 0 00:00:39.33