$ 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 2506 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN B2506O.PUN FOR007 $ASSIGN poolq:C2506O.EIG FOR003 $ASSIGN H2506O.HAM FOR001 $ASSIGN EAV2506O.DAT FOR066 $ASSIGN POOLG:B2506O15 FOR015 $ASSIGN POOLG:B2506O16 FOR016 $RUN CRAY:LEAST3007 NPAR 233 NJ 8 FIRSTJ 0.5 1 p 6 d 0 s 0 p 1 p 0 f 0 h 0 k 0 2 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 3 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 4 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 5 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 6 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 7 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 8 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 9 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 A p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 B p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 C p 5 d 0 s 0 p 2 p 0 f 0 h 0 k 0 D p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 E p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 F p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 G p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 H p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 I p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 J p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 K p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 L p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 M p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 N p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 O p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 P p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 Q p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 R p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 S p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 T p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 U p 5 d 2 s 0 p 0 p 0 f 0 h 0 k 0 V p 5 d 1 s 1 p 0 p 0 f 0 h 0 k 0 W p 5 d 0 s 2 p 0 p 0 f 0 h 0 k 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2P)2P 1 1.5 1(2P)2P 1 TOTAL 2 29 38 34 26 10 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 147 38 1 0 29 67 101 127 137 143 145 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 0 1 Ekberg, J. and Feldman, U. 2003. Ap. J. 595, 517-521. 2 Wang, M., O'Reilly, F., Dunne, P., Arnesen,A., Heijkenskjold, F., Hallin, R. 3 O'Sullivan, G. 1997. J. Phys. B 30, 4175-4181. 4 Sugar, J. and Corliss, C. 1985. J. Phys. Chem. Ref. Data 15, Suppl. 2, 1-664. 5 6 7 8 9 1 0 0 0 0.300 1.500 1 1.0 40 40 50 50 40 30 20 20 10 10 10 10 10 10 0 0 0 0 0 0 0 0 0 1 1.0 29 38 34 26 10 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25.06 3p6 4p 3p6 5p 3p6 6p 3p6 7p 3p6 8p 3p6 9p 3p6 10p 3p6 11p 3p6 12p 3p6 13p 3p6 14p 3p5 4p2 3p6 4f 3p6 5f 3p6 6f 3p6 7f 3p6 8f 3p6 9f 3p6 10f 3p6 11f 3p6 12f 3p6 13f 3p6 14f 3p6 6h 3p6 7h 3p6 8h 3p6 9h 3p6 8k 3p6 9k 3p5 3d2 3p5 3d4s 3p5 4s2 SENORITY MIXING CORRECTIONS 1 0.5 1 0.5 1 0.5 395258. 3p6 4p 2P 4p 2P 1 0.5 404073. 3p5(2P)3d2(1D) 2P 3d2(1D) 2P 1 0.5 1 0.5 1 0.5 0 0.5 541903. 3p5(2P)3d2(3P) 2P 3d2(3P) 2P 0 0.5 644480. 3p6 5p 2P 5p 2P 1 0.5 0 0.5 701189. 3p5 3d(3P)4s 2P 3d3P4s 2P 0 0.5 738585. 3p5 3d(3D)4s 4D 3d3D4s 4D 0 -1.0 1 1.5 1 1.5 1 1.5 1 1.5 1 1.5 399778. 3p6 4p 2P 4p 2P 1 1.5 408257. 3p5(2P)3d2(1D) 2P 3d2(1D) 2P 1 1.5 1 1.5 1 1.5 1 1.5 0 1.5 544333. 3p5(2P)3d2(3P) 2P 3d2(3P) 2P 0 1.5 547960. 3p5(2P)3d2(3F) 2D 3d2(3F) 2D 0 1.5 645590. 3p6 5p 2P 5p 2P 1 1.5 0 1.5 705425. 3p5 3d(3P)4s 2P 3d3P4s 2P 0 1.5 714990. 3p5 3d(3F)4s 4F 3d3F4s 4F 0 1.5 737833. 3p5 3d(3D)4s 4D 3d3D4s 4D 0 1.5 740894. 3p5 3d(1D)4s 2D 3d1D4s 2D 0 1.5 748302. 3p5 3d(3D)4s 2D 3d3D4s 2D 0 -1.0 1 2.5 1 2.5 1 2.5 1 2.5 1 2.5 0 2.5 394226. 3p5(2P)3d2(1G) 2F 3d2(1G) 2F 0 2.5 419077. 3p5(2P)3d2(1D) 2F 3d2(1D) 2F 1 2.5 1 2.5 0 2.5 489929. 3p5(2P)3d2(3F) 2F 3d2(3F) 2F 0 2.5 547399. 3p5(2P)3d2(3F) 2D 3d2(3F) 2D 0 2.5 616007. 3p6 4f 2F 4f 2F 1 2.5 0 2.5 712642. 3p5 3d(3F)4s 4F 3d3F4s 4F 0 2.5 722331. 3p5 3d(3F)4s 2F 3d3F4s 2F 0 2.5 737173. 3p5 3d(3D)4s 4D 3d3D4s 4D 0 2.5 738765. 3p6 5f 2F 5f 2F 0 2.5 739930. 3p5 3d(1F)4s 2F 3d1F4s 2F 0 2.5 744126. 3p5(2P)3d(1D)4s 2D 3d1D4s 2D 0 2.5 749532. 3p5 3d(3D)4s 2D 3d3D4s 2D 0 2.5 807820. 3p6 6f 2F 6f 2F 0 2.5 848947. 3p6 7f 2F 7f 2F 0 2.5 875620. 3p6 8f 2F 8f 2F 0 -1.0 1 3.5 1 3.5 1 3.5 0 3.5 396948. 3p5(2P)3d2(1G) 2F 3d2(1G) 2F 1 3.5 0 3.5 409877. 3p5(2P)3d2(1D) 2F 3d2(1D) 2F 1 3.5 1 3.5 1 3.5 494364. 3p5(2P)3d2(3F) 2F 3d2(3F) 2F 0 3.5 616132. 3p6 4f 2F 4f 2F 0 3.5 710337. 3p5 3d(3F)4s 4F 3d3F4s 4F 0 3.5 717696. 3p5 3d(3F)4s 2F 3d3F4s 2F 0 3.5 735676. 3p5 3d(3D)4s 4D 3d3D4s 4D 0 3.5 739482. 3p6 5f 2F 5f 2F 0 3.5 746550. 3p5 3d(1F)4s 2F 3d1F4s 2F 0 3.5 807835. 3p6 6f 2F 6f 2F 0 3.5 848954. 3p6 7f 2F 7f 2F 0 3.5 875620. 3p6 8f 2F 8f 2F 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 233 645.4 17 LEAST SQUARES 1 1 EAV 400326.8 0.0 400326.8 FIXEDHF 1.000 0 0.0 0 3p6 4p 2 1 ZETA 4 1770.4 0.0 1844.2 FIXEDHF 0.960 0 0.0 0 3 2 EAV 645772.3 460.0 644918.8 1.000 0 0.0 0 3p6 5p 4 2 ZETA 5 724.7 614.0 754.7 1.000 0 0.0 0 5 3 EAV 756578.8 0.0 756578.8 FIXEDHF 1.000 0 0.0 0 3p6 6p 6 3 ZETA 5 384.6 0.0 384.6 FIXEDHF 1.000 0 0.0 0 7 4 EAV 817571.4 0.0 817571.4 FIXEDHF 1.000 0 0.0 0 3p6 7p 8 4 ZETA 5 223.5 0.0 223.5 FIXEDHF 1.000 0 0.0 0 9 5 EAV 854627.1 0.0 854627.1 FIXEDHF 1.000 0 0.0 0 3p6 8p 10 5 ZETA 5 141.5 0.0 141.5 FIXEDHF 1.000 0 0.0 0 11 6 EAV 878845.8 0.0 878845.8 FIXEDHF 1.000 0 0.0 0 3p6 9p 12 6 ZETA 5 95.3 0.0 95.3 FIXEDHF 1.000 0 0.0 0 13 7 EAV 895549.4 0.0 895549.4 FIXEDHF 1.000 0 0.0 0 3p6 10p 14 7 ZETA 5 67.3 0.0 67.3 FIXEDHF 1.000 0 0.0 0 15 8 EAV 907560.1 0.0 907560.1 FIXEDHF 1.000 0 0.0 0 3p6 11p 16 8 ZETA 5 49.3 0.0 49.3 FIXEDHF 1.000 0 0.0 0 17 9 EAV 916481.0 0.0 916481.0 FIXEDHF 1.000 0 0.0 0 3p6 12p 18 9 ZETA 5 37.1 0.0 37.1 FIXEDHF 1.000 0 0.0 0 19 A EAV 923292.2 0.0 923292.2 FIXEDHF 1.000 0 0.0 0 3p6 13p 20 A ZETA 5 28.7 0.0 28.7 FIXEDHF 1.000 0 0.0 0 21 B EAV 928608.9 0.0 928608.9 FIXEDHF 1.000 0 0.0 0 3p6 14p 22 B ZETA 5 22.6 0.0 22.6 FIXEDHF 1.000 0 0.0 0 23 C EAV 1272610.5 0.0 1272610.5 FIXEDHF 1.000 0 0.0 0 3p5 4p2 24 C F2(44) 43396.2 0.0 54245.3 FIXEDHF 0.800 0 0.0 0 25 C ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 26 C ZETA 1 8482.8 0.0 8482.8 FIXEDHF 1.000 0 0.0 0 27 C ZETA 4 1980.5 0.0 1980.5 FIXEDHF 1.000 0 0.0 0 28 C F2(14) 29365.9 0.0 36707.4 FIXEDHF 0.800 0 0.0 0 29 C G0(14) 8406.3 0.0 10507.9 FIXEDHF 0.800 0 0.0 0 30 C G2(14) 9687.1 0.0 12108.9 FIXEDHF 0.800 0 0.0 0 31 D EAV 612466.1 470.0 611340.2 1.000 0 0.0 0 3p6 4f 32 D ZETA 6 8.8 0.0 8.8 FIXEDHF 1.000 0 0.0 0 33 E EAV 738305.8 533.0 737433.6 1.000 0 0.0 0 3p6 5f 34 E ZETA 6 5.0 0.0 5.0 FIXEDHF 1.000 0 0.0 0 35 F EAV 807305.5 457.0 805756.1 1.000 0 0.0 0 3p6 6f 36 F ZETA 6 3.0 0.0 3.0 FIXEDHF 1.000 0 0.0 0 37 G EAV 848667.0 457.0 846912.2 1.000 0 0.0 0 3p6 7f 38 G ZETA 6 1.9 0.0 1.9 FIXEDHF 1.000 0 0.0 0 39 H EAV 875446.3 457.0 873560.4 1.000 0 0.0 0 3p6 8f 40 H ZETA 6 1.3 0.0 1.3 FIXEDHF 1.000 0 0.0 0 41 I EAV 891783.1 0.0 891783.1 FIXEDHF 1.000 0 0.0 0 3p6 9f 42 I ZETA 6 0.9 0.0 0.9 FIXEDHF 1.000 0 0.0 0 43 J EAV 904781.6 0.0 904781.6 FIXEDHF 1.000 0 0.0 0 3p6 10f 44 J ZETA 6 0.7 0.0 0.7 FIXEDHF 1.000 0 0.0 0 45 K EAV 914375.3 0.0 914375.3 FIXEDHF 1.000 0 0.0 0 3p6 11f 46 K ZETA 6 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 47 L EAV 921662.3 0.0 921662.3 FIXEDHF 1.000 0 0.0 0 3p6 12f 48 L ZETA 6 0.4 0.0 0.4 FIXEDHF 1.000 0 0.0 0 49 M EAV 927316.9 0.0 927316.9 FIXEDHF 1.000 0 0.0 0 3p6 13f 50 M ZETA 6 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 51 N EAV 931801.8 0.0 931801.8 FIXEDHF 1.000 0 0.0 0 3p6 14f 52 N ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 53 O EAV 810103.8 0.0 810103.8 FIXEDHF 1.000 0 0.0 0 3p6 6h 54 O ZETA 7 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 55 P EAV 849752.9 0.0 849752.9 FIXEDHF 1.000 0 0.0 0 3p6 7h 56 P ZETA 7 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 57 Q EAV 875507.3 0.0 875507.3 FIXEDHF 1.000 0 0.0 0 3p6 8h 58 Q ZETA 7 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 59 R EAV 893170.3 0.0 893170.3 FIXEDHF 1.000 0 0.0 0 3p6 9h 60 R ZETA 7 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 61 S EAV 875622.0 0.0 875622.0 FIXEDHF 1.000 0 0.0 0 3p6 8k 62 S ZETA 8 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 63 T EAV 893254.6 0.0 893254.6 FIXEDHF 1.000 0 0.0 0 3p6 9k 64 T ZETA 8 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 65 U EAV 417095.4 217.0 419453.3 1.000 0 0.0 0 3p5 3d2 66 U F2(22) 120059.3 1731.0 115572.5 0.800 0 0.0 0 67 U F4(22) 58749.4 0.0 73436.7 FIXEDHF 0.800 0 0.0 0 68 U ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 69 U BETA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 70 U t(d 2) 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 71 U ZETA 1 9866.7 829.0 7756.1 1.000 0 0.0 0 72 U ZETA 2 546.1 0.0 546.1 FIXEDHF 1.000 0 0.0 0 73 U F2(12) 99793.1 1412.0 115043.9 0.800 0 0.0 0 74 U G1(12) 116532.7 1341.0 138765.9 0.800 0 0.0 0 75 U G3(12) 69599.8 0.0 86999.8 FIXEDHF 0.800 0 0.0 0 76 V EAV 730722.5 160.0 731855.6 1.000 0 0.0 0 3p5 3d4s 77 V ZETA 1 7938.3 530.0 8096.6 1.000 0 0.0 0 78 V ZETA 2 593.1 0.0 593.1 FIXEDHF 1.000 0 0.0 0 79 V F2(12) 102760.7 1287.0 118546.2 0.800 0 0.0 0 80 V G1(12) 113356.5 0.0 141695.6 FIXEDHF 0.800 0 0.0 0 81 V G3(12) 80849.3 2248.0 89452.0 0.800 0 0.0 0 82 V G1(13) 10726.4 895.0 12576.5 0.800 0 0.0 0 83 V G2(23) 10928.5 0.0 13660.6 FIXEDHF 0.800 0 0.0 0 84 W EAV 1107180.0 0.0 1107180.0 FIXEDHF 1.000 0 0.0 0 3p5 4s2 85 W ZETA 1 8471.1 0.0 8471.1 FIXEDHF 1.000 0 0.0 0 86 1C 0D1114 3501.3 0.0 4376.6 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 4p2 87 1C 2D1114 15965.0 0.0 19956.3 FIXEDHF 0.800 0 0.0 0 88 1C 0D1444 145.5 0.0 181.9 FIXEDHF 0.800 0 0.0 0 89 1C 2D1444 -5755.9 0.0 -7194.9 FIXEDHF 0.800 0 0.0 0 90 1U 1D1422 12748.4 0.0 15935.5 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 3d2 91 1U 3D1422 11642.3 0.0 14552.9 FIXEDHF 0.800 0 0.0 0 92 1V 1D1423 47203.4 0.0 59004.3 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 3d4s 93 1V 1E1423 9400.4 0.0 11750.5 FIXEDHF 0.800 0 0.0 0 94 1W 1D1433 -7375.7 0.0 -9219.6 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 4s2 95 2C 0D1544 2815.0 0.0 3518.8 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 4p2 96 2C 2D1544 -527.4 0.0 -659.3 FIXEDHF 0.800 0 0.0 0 97 2U 1D1522 6352.2 0.0 7940.2 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 3d2 98 2U 3D1522 5543.0 0.0 6928.7 FIXEDHF 0.800 0 0.0 0 99 2V 1D1523 18480.5 0.0 23100.6 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 3d4s 100 2V 1E1523 5340.1 0.0 6675.1 FIXEDHF 0.800 0 0.0 0 101 2W 1D1533 -807.2 0.0 -1009.0 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 4s2 102 3C 0D1544 1973.8 0.0 2467.2 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 4p2 103 3C 2D1544 174.6 0.0 218.3 FIXEDHF 0.800 0 0.0 0 104 3U 1D1522 4030.7 0.0 5038.4 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 3d2 105 3U 3D1522 3430.8 0.0 4288.5 FIXEDHF 0.800 0 0.0 0 106 3V 1D1523 11130.5 0.0 13913.1 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 3d4s 107 3V 1E1523 3595.9 0.0 4494.9 FIXEDHF 0.800 0 0.0 0 108 3W 1D1533 56.6 0.0 70.7 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 4s2 109 4C 0D1544 1485.0 0.0 1856.3 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 4p2 110 4C 2D1544 311.8 0.0 389.7 FIXEDHF 0.800 0 0.0 0 111 4U 1D1522 2878.1 0.0 3597.6 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 3d2 112 4U 3D1522 2413.0 0.0 3016.2 FIXEDHF 0.800 0 0.0 0 113 4V 1D1523 7784.6 0.0 9730.8 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 3d4s 114 4V 1E1523 2652.7 0.0 3315.9 FIXEDHF 0.800 0 0.0 0 115 4W 1D1533 243.9 0.0 304.9 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 4s2 116 5C 0D1544 1171.5 0.0 1464.4 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 4p2 117 5C 2D1544 323.4 0.0 404.3 FIXEDHF 0.800 0 0.0 0 118 5U 1D1522 2200.3 0.0 2750.4 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 3d2 119 5U 3D1522 1826.9 0.0 2283.6 FIXEDHF 0.800 0 0.0 0 120 5V 1D1523 5889.7 0.0 7362.1 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 3d4s 121 5V 1E1523 2068.9 0.0 2586.1 FIXEDHF 0.800 0 0.0 0 122 5W 1D1533 278.0 0.0 347.5 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 4s2 123 6C 0D1544 955.8 0.0 1194.7 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 4p2 124 6C 2D1544 302.6 0.0 378.2 FIXEDHF 0.800 0 0.0 0 125 6U 1D1522 1758.9 0.0 2198.6 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 3d2 126 6U 3D1522 1450.6 0.0 1813.3 FIXEDHF 0.800 0 0.0 0 127 6V 1D1523 4679.6 0.0 5849.5 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 3d4s 128 6V 1E1523 1675.5 0.0 2094.4 FIXEDHF 0.800 0 0.0 0 129 6W 1D1533 269.3 0.0 336.6 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 4s2 130 7C 0D1544 799.5 0.0 999.4 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 4p2 131 7C 2D1544 274.5 0.0 343.1 FIXEDHF 0.800 0 0.0 0 132 7U 1D1522 1450.9 0.0 1813.6 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 3d2 133 7U 3D1522 1191.0 0.0 1488.7 FIXEDHF 0.800 0 0.0 0 134 7V 1D1523 3845.4 0.0 4806.7 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 3d4s 135 7V 1E1523 1394.7 0.0 1743.4 FIXEDHF 0.800 0 0.0 0 136 7W 1D1533 248.6 0.0 310.8 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 4s2 137 8C 0D1544 681.9 0.0 852.4 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 4p2 138 8C 2D1544 246.9 0.0 308.6 FIXEDHF 0.800 0 0.0 0 139 8U 1D1522 1225.2 0.0 1531.5 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 3d2 140 8U 3D1522 1002.2 0.0 1252.7 FIXEDHF 0.800 0 0.0 0 141 8V 1D1523 3238.7 0.0 4048.4 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 3d4s 142 8V 1E1523 1185.4 0.0 1481.8 FIXEDHF 0.800 0 0.0 0 143 8W 1D1533 226.0 0.0 282.5 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 4s2 144 9C 0D1544 590.8 0.0 738.5 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 4p2 145 9C 2D1544 221.9 0.0 277.4 FIXEDHF 0.800 0 0.0 0 146 9U 1D1522 1053.5 0.0 1316.9 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 3d2 147 9U 3D1522 859.5 0.0 1074.4 FIXEDHF 0.800 0 0.0 0 148 9V 1D1523 2779.8 0.0 3474.8 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 3d4s 149 9V 1E1523 1024.3 0.0 1280.4 FIXEDHF 0.800 0 0.0 0 150 9W 1D1533 204.6 0.0 255.7 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 4s2 151 AC 0D1544 518.4 0.0 648.0 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 4p2 152 AC 2D1544 200.1 0.0 250.1 FIXEDHF 0.800 0 0.0 0 153 AU 1D1522 919.2 0.0 1149.0 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 3d2 154 AU 3D1522 748.4 0.0 935.5 FIXEDHF 0.800 0 0.0 0 155 AV 1D1523 2422.1 0.0 3027.6 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 3d4s 156 AV 1E1523 897.0 0.0 1121.3 FIXEDHF 0.800 0 0.0 0 157 AW 1D1533 185.3 0.0 231.6 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 4s2 158 BC 0D1544 459.8 0.0 574.7 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 4p2 159 BC 2D1544 181.0 0.0 226.3 FIXEDHF 0.800 0 0.0 0 160 BU 1D1522 811.5 0.0 1014.4 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 3d2 161 BU 3D1522 659.7 0.0 824.6 FIXEDHF 0.800 0 0.0 0 162 BV 1D1523 2136.3 0.0 2670.4 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 3d4s 163 BV 1E1523 794.3 0.0 992.9 FIXEDHF 0.800 0 0.0 0 164 BW 1D1533 168.2 0.0 210.3 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 4s2 165 CD 2D4416 -8626.8 0.0 -10783.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 4f 166 CE 2D4416 -4136.4 0.0 -5170.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 5f 167 CF 2D4416 -2403.5 0.0 -3004.4 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 6f 168 CG 2D4416 -1604.2 0.0 -2005.3 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 7f 169 CH 2D4416 -1169.8 0.0 -1462.2 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 8f 170 CI 2D4416 -904.4 0.0 -1130.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 9f 171 CJ 2D4416 -728.4 0.0 -910.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 10f 172 CK 2D4416 -604.4 0.0 -755.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 11f 173 CL 2D4416 -513.0 0.0 -641.3 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 12f 174 CM 2D4416 -443.3 0.0 -554.1 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 13f 175 CN 2D4416 -388.4 0.0 -485.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 14f 176 CU 1D4422 10767.2 0.0 13459.0 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 3d2 177 CU 3D4422 10621.3 0.0 13276.6 FIXEDHF 0.800 0 0.0 0 178 CV 1D4423 -8306.8 0.0 -10383.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 3d4s 179 CW 1D4433 57528.2 0.0 71910.2 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 4s2 180 DU 1D1622 -36013.1 0.0 -45016.4 FIXEDHF 0.800 0 0.0 0 3p6 4f -3p5 3d2 181 DU 3D1622 -19778.0 0.0 -24722.5 FIXEDHF 0.800 0 0.0 0 182 DV 3D1623 8589.6 0.0 10737.0 FIXEDHF 0.800 0 0.0 0 3p6 4f -3p5 3d4s 183 DV 1E1623 298.4 0.0 373.0 FIXEDHF 0.800 0 0.0 0 184 EU 1D1622 -27762.6 0.0 -34703.3 FIXEDHF 0.800 0 0.0 0 3p6 5f -3p5 3d2 185 EU 3D1622 -15901.3 0.0 -19876.6 FIXEDHF 0.800 0 0.0 0 186 EV 3D1623 4297.8 0.0 5372.3 FIXEDHF 0.800 0 0.0 0 3p6 5f -3p5 3d4s 187 EV 1E1623 -522.2 0.0 -652.8 FIXEDHF 0.800 0 0.0 0 188 FU 1D1622 -21074.2 0.0 -26342.8 FIXEDHF 0.800 0 0.0 0 3p6 6f -3p5 3d2 189 FU 3D1622 -12306.6 0.0 -15383.2 FIXEDHF 0.800 0 0.0 0 190 FV 3D1623 2397.0 0.0 2996.3 FIXEDHF 0.800 0 0.0 0 3p6 6f -3p5 3d4s 191 FV 1E1623 -698.6 0.0 -873.2 FIXEDHF 0.800 0 0.0 0 192 GU 1D1622 -16579.0 0.0 -20723.8 FIXEDHF 0.800 0 0.0 0 3p6 7f -3p5 3d2 193 GU 3D1622 -9784.1 0.0 -12230.1 FIXEDHF 0.800 0 0.0 0 194 GV 3D1623 1501.4 0.0 1876.8 FIXEDHF 0.800 0 0.0 0 3p6 7f -3p5 3d4s 195 GV 1E1623 -688.0 0.0 -860.0 FIXEDHF 0.800 0 0.0 0 196 HU 1D1622 -13468.2 0.0 -16835.2 FIXEDHF 0.800 0 0.0 0 3p6 8f -3p5 3d2 197 HU 3D1622 -7999.1 0.0 -9998.9 FIXEDHF 0.800 0 0.0 0 198 HV 3D1623 1025.7 0.0 1282.1 FIXEDHF 0.800 0 0.0 0 3p6 8f -3p5 3d4s 199 HV 1E1623 -630.1 0.0 -787.6 FIXEDHF 0.800 0 0.0 0 200 IU 1D1622 -11220.8 0.0 -14026.0 FIXEDHF 0.800 0 0.0 0 3p6 9f -3p5 3d2 201 IU 3D1622 -6692.3 0.0 -8365.4 FIXEDHF 0.800 0 0.0 0 202 IV 3D1623 747.0 0.0 933.8 FIXEDHF 0.800 0 0.0 0 3p6 9f -3p5 3d4s 203 IV 1E1623 -564.8 0.0 -706.0 FIXEDHF 0.800 0 0.0 0 204 JU 1D1622 -9536.7 0.0 -11920.9 FIXEDHF 0.800 0 0.0 0 3p6 10f -3p5 3d2 205 JU 3D1622 -5704.4 0.0 -7130.5 FIXEDHF 0.800 0 0.0 0 206 JV 3D1623 570.9 0.0 713.6 FIXEDHF 0.800 0 0.0 0 3p6 10f -3p5 3d4s 207 JV 1E1623 -504.0 0.0 -630.0 FIXEDHF 0.800 0 0.0 0 208 KU 1D1622 -8236.6 0.0 -10295.7 FIXEDHF 0.800 0 0.0 0 3p6 11f -3p5 3d2 209 KU 3D1622 -4937.0 0.0 -6171.3 FIXEDHF 0.800 0 0.0 0 210 KV 3D1623 452.8 0.0 566.0 FIXEDHF 0.800 0 0.0 0 3p6 11f -3p5 3d4s 211 KV 1E1623 -450.4 0.0 -563.0 FIXEDHF 0.800 0 0.0 0 212 LU 1D1622 -7207.9 0.0 -9009.9 FIXEDHF 0.800 0 0.0 0 3p6 12f -3p5 3d2 213 LU 3D1622 -4327.2 0.0 -5409.0 FIXEDHF 0.800 0 0.0 0 214 LV 3D1623 369.8 0.0 462.2 FIXEDHF 0.800 0 0.0 0 3p6 12f -3p5 3d4s 215 LV 1E1623 -404.1 0.0 -505.1 FIXEDHF 0.800 0 0.0 0 216 MU 1D1622 -6377.5 0.0 -7971.9 FIXEDHF 0.800 0 0.0 0 3p6 13f -3p5 3d2 217 MU 3D1622 -3833.3 0.0 -4791.6 FIXEDHF 0.800 0 0.0 0 218 MV 3D1623 309.1 0.0 386.4 FIXEDHF 0.800 0 0.0 0 3p6 13f -3p5 3d4s 219 MV 1E1623 -364.4 0.0 -455.5 FIXEDHF 0.800 0 0.0 0 220 NU 1D1622 -5695.6 0.0 -7119.5 FIXEDHF 0.800 0 0.0 0 3p6 14f -3p5 3d2 221 NU 3D1622 -3426.6 0.0 -4283.3 FIXEDHF 0.800 0 0.0 0 222 NV 3D1623 263.3 0.0 329.1 FIXEDHF 0.800 0 0.0 0 3p6 14f -3p5 3d4s 223 NV 1E1623 -330.2 0.0 -412.8 FIXEDHF 0.800 0 0.0 0 224 OU 3D1722 -361.7 0.0 -452.1 FIXEDHF 0.800 0 0.0 0 3p6 6h -3p5 3d2 225 PU 3D1722 -412.1 0.0 -515.1 FIXEDHF 0.800 0 0.0 0 3p6 7h -3p5 3d2 226 QU 3D1722 -404.0 0.0 -505.0 FIXEDHF 0.800 0 0.0 0 3p6 8h -3p5 3d2 227 RU 3D1722 -377.3 0.0 -471.6 FIXEDHF 0.800 0 0.0 0 3p6 9h -3p5 3d2 228 UV 2D1213 9328.9 0.0 11661.1 FIXEDHF 0.800 0 0.0 0 3p5 3d2 -3p5 3d4s 229 UV 1E1213 12038.7 0.0 15048.4 FIXEDHF 0.800 0 0.0 0 230 UV 2D2223 10354.7 0.0 12943.4 FIXEDHF 0.800 0 0.0 0 231 UW 2D2233 12434.8 0.0 15543.5 FIXEDHF 0.800 0 0.0 0 3p5 3d2 -3p5 4s2 232 VW 2D1213 10257.3 0.0 12821.6 FIXEDHF 0.800 0 0.0 0 3p5 3d4s -3p5 4s2 233 VW 1E1213 12349.4 0.0 15436.8 FIXEDHF 0.800 0 0.0 0 25.06 J 0.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 356792.218 0.000 -0.921 U(3F)4D 18 -0.387 U(3P)4D 19 2 390097.754 2.590 -0.976 U(3P)4P 20 0.123 U(1D)2P 22 0.108 U(3P)2S 24 3 395258. 393637.270 0.708 4p 2P 0.905 1(2P)2P 1 -0.347 U(1D)2P 22 -0.144 U(3P)4P 20 4 404073. 403474.018 0.685 3d2(1D) 2P -0.766 U(1D)2P 22 0.438 U(3P)2P 21 -0.404 1(2P)2P 1 5 428908.030 0.009 -0.918 U(3P)4D 19 0.382 U(3F)4D 18 0.090 U(1D)2P 22 6 447785.427 2.007 -0.993 U(3P)2S 24 -0.112 U(3P)4P 20 -0.035 U(1D)2P 22 7 478812.166 0.667 0.889 U(1S)2P 23 -0.382 U(1D)2P 22 -0.246 U(3P)2P 21 8 541903. 541747.418 -155.6 0.666 3d2(3P) 2P 0.848 U(3P)2P 21 0.386 U(1S)2P 23 0.348 U(1D)2P 22 9 644480. 644477.060 -2.9 0.666 5p 2P 0.996 2(1S)2P 2 0.062 V(3P)2P 28 -0.050 V(1P)2P 27 10 692036.852 2.647 -0.994 V(3P)4P 26 0.098 V(3P)2P 28 0.039 V(3D)4D 25 11 701189. 702065.946 876.9 0.679 3d3P4s 2P -0.987 V(3P)2P 28 -0.095 V(3P)4P 26 0.085 V(3D)4D 25 12 738585. 738785.339 200.3 0.009 3d3D4s 4D -0.994 V(3D)4D 25 -0.079 V(3P)2P 28 -0.046 V(3P)4P 26 13 755927.903 0.666 0.997 3(1S)2P 3 -0.061 V(1P)2P 27 -0.045 V(3P)2P 28 14 816872.812 0.666 -0.993 4(1S)2P 4 0.116 V(1P)2P 27 15 850603.125 0.665 -0.763 V(1P)2P 27 0.627 5(1S)2P 5 -0.097 4(1S)2P 4 16 857009.737 0.666 -0.779 5(1S)2P 5 -0.614 V(1P)2P 27 0.072 6(1S)2P 6 17 878998.070 0.666 -0.995 6(1S)2P 6 -0.097 V(1P)2P 27 18 895583.068 0.666 0.999 7(1S)2P 7 0.049 V(1P)2P 27 19 907566.035 0.666 -0.999 8(1S)2P 8 -0.032 V(1P)2P 27 20 916478.495 0.666 -1.000 9(1S)2P 9 J 0.5 21 923287.001 0.666 1.000 A(1S)2P 10 22 928603.190 0.666 -1.000 B(1S)2P 11 23 1110104.313 0.666 0.985 W(2P)2P 29 0.171 C(1S)2P 16 24 1256754.957 1.875 -0.771 C(3P)4P 13 0.400 C(1D)2P 15 -0.370 C(3P)2P 14 25 1261500.897 1.325 -0.619 C(1D)2P 15 -0.553 C(3P)4P 13 0.494 C(3P)2P 14 26 1269744.880 0.106 -0.949 C(3P)4D 12 0.261 C(1D)2P 15 0.131 C(3P)2S 17 27 1276496.473 2.027 -0.945 C(3P)2S 17 -0.297 C(3P)4P 13 -0.114 C(3P)4D 12 28 1298723.939 0.669 0.758 C(3P)2P 14 0.620 C(1D)2P 15 -0.137 C(1S)2P 16 29 1308984.812 0.666 0.966 C(1S)2P 16 0.193 C(3P)2P 14 -0.166 W(2P)2P 29 29 VECTORS WRITTEN TO UNIT 3 25.06 J 1.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 357691.462 1.194 -0.907 U(3F)4D 21 -0.406 U(3P)4D 22 0.094 U(3F)4F 20 2 387386.269 0.748 0.742 U(3F)4F 20 0.416 U(1D)2D 27 0.384 U(3P)4P 23 3 387706.725 1.503 0.896 U(3P)4P 23 -0.393 U(3F)4F 20 -0.128 U(1D)2D 27 4 394093.817 0.954 0.529 U(1D)2D 27 -0.472 U(3F)4F 20 0.460 1(2P)2P 1 5 399778. 397749.625 1.153 4p 2P 0.831 1(2P)2P 1 -0.442 U(1D)2D 27 0.229 U(3F)4F 20 6 408257. 409498.152 1.253 3d2(1D) 2P -0.689 U(1D)2P 29 0.436 U(3P)2P 28 -0.332 U(1D)2D 27 7 426199.680 1.165 0.860 U(3P)4D 22 -0.395 U(3F)4D 21 0.293 U(3P)2D 26 8 440040.243 0.842 -0.890 U(3P)2D 26 0.289 U(3P)4D 22 0.262 U(3F)2D 25 9 447680.405 1.993 0.991 U(3P)4S 24 0.096 U(3P)4P 23 0.069 U(1D)2P 29 10 468114.289 1.333 0.890 U(1S)2P 30 -0.432 U(1D)2P 29 -0.131 U(3P)2P 28 11 544333. 544078.428 -254.6 1.334 3d2(3P) 2P 0.862 U(3P)2P 28 0.380 U(1D)2P 29 0.312 U(1S)2P 30 12 547960. 547979.302 19.3 0.801 3d2(3F) 2D -0.838 U(3F)2D 25 -0.422 U(1D)2D 27 -0.336 U(3P)2D 26 13 645590. 645587.568 -2.4 1.334 5p 2P 0.996 2(1S)2P 2 0.057 V(3P)2P 37 -0.050 V(1P)2P 36 14 694059.834 1.724 0.988 V(3P)4P 33 -0.128 V(3P)2P 37 -0.078 V(3D)4D 32 15 705425. 706406.818 981.8 1.329 3d3P4s 2P -0.976 V(3P)2P 37 -0.122 V(3P)4P 33 0.100 V(3D)2D 35 16 714990. 714505.044 -485.0 0.418 3d3F4s 4F 0.981 V(3F)4F 31 -0.143 V(1D)2D 34 -0.107 V(3D)4D 32 17 737833. 738120.572 287.6 1.109 3d3D4s 4D -0.886 V(3D)4D 32 -0.428 V(1D)2D 34 -0.160 V(3F)4F 31 18 740894. 741980.775 1086.8 0.883 3d1D4s 2D -0.886 V(1D)2D 34 0.436 V(3D)4D 32 0.103 V(3P)2P 37 19 748302. 747666.528 -635.5 0.804 3d3D4s 2D 0.990 V(3D)2D 35 0.107 V(3P)2P 37 0.069 V(3F)4F 31 20 756494.085 1.334 -0.997 3(1S)2P 3 0.063 V(1P)2P 36 0.046 V(3P)2P 37 J 1.5 21 817194.903 1.334 -0.993 4(1S)2P 4 0.118 V(1P)2P 36 22 850663.062 1.334 -0.772 V(1P)2P 36 0.615 5(1S)2P 5 -0.100 4(1S)2P 4 23 857161.049 1.334 -0.788 5(1S)2P 5 -0.602 V(1P)2P 36 0.071 6(1S)2P 6 24 879142.968 1.334 -0.995 6(1S)2P 6 -0.097 V(1P)2P 36 25 895685.122 1.334 0.999 7(1S)2P 7 0.049 V(1P)2P 36 26 907640.648 1.334 0.999 8(1S)2P 8 0.032 V(1P)2P 36 27 916534.581 1.334 -1.000 9(1S)2P 9 28 923330.357 1.334 1.000 A(1S)2P 10 29 928637.316 1.334 -1.000 B(1S)2P 11 30 1097400.939 1.334 0.985 W(2P)2P 38 0.171 C(1S)2P 19 31 1254719.891 1.640 -0.862 C(3P)4P 13 0.303 C(3P)4D 12 -0.258 C(3P)2P 17 32 1262034.682 1.413 0.587 C(1D)2P 18 -0.518 C(3P)2P 17 0.357 C(3P)4P 13 33 1262530.097 0.975 0.765 C(3P)2D 15 0.533 C(3P)4D 12 -0.255 C(1D)2P 18 34 1272632.552 1.087 -0.744 C(3P)4D 12 0.600 C(3P)2D 15 0.181 C(1D)2P 18 35 1277167.407 1.892 0.903 C(3P)4S 14 0.305 C(3P)4P 13 -0.197 C(1D)2D 16 36 1285624.632 0.889 -0.919 C(1D)2D 16 0.270 C(3P)2P 17 -0.196 C(1S)2P 19 37 1296567.413 1.316 0.894 C(1S)2P 19 -0.367 C(1D)2P 18 -0.190 C(1D)2D 16 38 1305741.248 1.327 0.738 C(3P)2P 17 0.582 C(1D)2P 18 0.286 C(1S)2P 19 38 VECTORS WRITTEN TO UNIT 3 25.06 J 2.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 359227.256 1.365 -0.883 U(3F)4D 19 -0.438 U(3P)4D 20 0.139 U(3F)4F 18 2 379960.593 0.664 0.877 U(3F)4G 17 -0.359 U(3F)4F 18 -0.226 U(3F)2F 22 3 384439.849 1.589 0.987 U(3P)4P 21 0.084 U(3F)4D 19 -0.072 U(1D)2D 27 4 388781.731 1.068 0.618 U(3F)4F 18 0.605 U(1D)2D 27 -0.335 U(3F)2D 25 5 393220.501 1.092 0.676 U(3F)4F 18 -0.606 U(1D)2D 27 0.278 U(3F)2D 25 6 394226. 394379.073 153.1 0.838 3d2(1G) 2F 0.679 U(1G)2F 23 -0.635 U(3F)2F 22 -0.316 U(3F)4G 17 7 419077. 419348.385 271.4 0.874 3d2(1D) 2F 0.966 U(1D)2F 24 0.152 U(1D)2D 27 0.123 U(3F)2F 22 8 423719.357 1.357 -0.850 U(3P)4D 20 0.442 U(3F)4D 19 -0.254 U(3P)2D 26 9 444063.313 1.212 -0.893 U(3P)2D 26 0.287 U(3F)2D 25 0.247 U(3P)4D 20 10 489929. 490994.414 1065.4 0.857 3d2(3F) 2F 0.708 U(3F)2F 22 0.678 U(1G)2F 23 -0.160 D(1S)2F 6 11 547399. 547110.676 -288.3 1.200 3d2(3F) 2D 0.834 U(3F)2D 25 0.414 U(1D)2D 27 0.357 U(3P)2D 26 12 616007. 615955.481 -51.5 0.857 4f 2F -0.986 D(1S)2F 6 -0.125 U(1G)2F 23 -0.101 U(3F)2F 22 13 697891.095 1.596 0.991 V(3P)4P 30 -0.106 V(3D)4D 29 0.073 V(1D)2D 33 14 712642. 712114.701 -527.3 1.028 3d3F4s 4F -0.967 V(3F)4F 28 -0.167 V(3F)2F 32 -0.123 V(1F)2F 31 15 722331. 721693.423 -637.6 0.886 3d3F4s 2F -0.951 V(3F)2F 32 -0.185 V(1D)2D 33 0.153 V(3F)4F 28 16 737173. 737257.283 84.3 1.280 3d3D4s 4D -0.861 V(3D)4D 29 -0.301 V(1D)2D 33 -0.298 V(1F)2F 31 17 738765. 738888.962 124.0 0.920 5f 2F -0.861 E(1S)2F 7 0.320 V(1D)2D 33 -0.282 V(1F)2F 31 18 739930. 740594.087 664.1 1.105 3d1F4s 2F -0.691 V(1D)2D 33 -0.431 E(1S)2F 7 0.423 V(3D)2D 34 19 744126. 744216.344 90.3 1.060 3d1D4s 2D 0.673 V(1F)2F 31 0.478 V(1D)2D 33 -0.399 V(3D)4D 29 20 749532. 749088.930 -443.1 1.099 3d3D4s 2D -0.797 V(3D)2D 34 0.524 V(1F)2F 31 -0.236 V(1D)2D 33 J 2.5 21 807820. 807816.414 -3.6 0.857 6f 2F -0.999 F(1S)2F 8 -0.031 U(1G)2F 23 22 848947. 848944.432 -2.6 0.857 7f 2F 0.999 G(1S)2F 9 23 875620. 875616.247 -3.8 0.857 8f 2F -1.000 H(1S)2F 10 24 891896.672 0.857 1.000 I(1S)2F 11 25 904861.005 0.857 1.000 J(1S)2F 12 26 914433.331 0.857 1.000 K(1S)2F 13 27 921706.063 0.857 -1.000 L(1S)2F 14 28 927350.869 0.857 1.000 M(1S)2F 15 29 931828.890 0.857 1.000 N(1S)2F 16 30 1254245.667 1.576 0.945 C(3P)4P 2 -0.319 C(3P)4D 1 0.056 C(3P)2D 4 31 1262075.617 1.331 0.796 C(3P)4D 1 0.558 C(3P)2D 4 0.235 C(3P)4P 2 32 1274949.511 1.011 0.744 C(1D)2F 3 -0.658 C(1D)2D 5 -0.097 C(3P)2D 4 33 1275802.957 1.245 0.801 C(3P)2D 4 -0.501 C(3P)4D 1 0.225 C(1D)2F 3 34 1286161.508 1.068 -0.746 C(1D)2D 5 -0.629 C(1D)2F 3 0.184 C(3P)2D 4 34 VECTORS WRITTEN TO UNIT 3 25.06 J 3.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 361570.634 1.422 -0.854 U(3F)4D 16 -0.487 U(3P)4D 17 0.156 U(3F)4F 15 2 377584.463 1.014 -0.923 U(3F)4G 14 0.327 U(3F)4F 15 -0.135 U(3F)2G 18 3 389978.128 1.190 0.885 U(3F)4F 15 0.311 U(3F)4G 14 0.262 U(3F)2G 18 4 396948. 397259.686 311.7 1.143 3d2(1G) 2F 0.634 U(1G)2F 21 -0.624 U(3F)2F 20 0.283 U(1D)2F 22 5 406100.500 1.018 -0.681 U(1D)2F 22 -0.681 U(3F)2G 18 0.169 U(3F)4G 14 6 409877. 408781.985 -1095.0 1.044 3d2(1D) 2F 0.667 U(1D)2F 22 -0.616 U(3F)2G 18 0.274 U(3F)2F 20 7 421943.650 1.423 0.848 U(3P)4D 17 -0.507 U(3F)4D 16 -0.087 U(1G)2F 21 8 447673.431 0.894 0.970 U(1G)2G 19 -0.194 U(3F)2G 18 -0.143 U(3F)2F 20 9 494364. 496816.894 1.141 3d2(3F) 2F 0.700 U(1G)2F 21 0.678 U(3F)2F 20 -0.169 D(1S)2F 3 10 616132. 616155.221 23.2 1.143 4f 2F -0.985 D(1S)2F 3 -0.133 U(1G)2F 21 -0.105 U(3F)2F 20 11 710337. 709773.617 -563.4 1.237 3d3F4s 4F -0.975 V(3F)4F 23 -0.167 V(3F)2F 26 -0.103 V(1F)2F 25 12 717696. 716918.307 -777.7 1.148 3d3F4s 2F -0.972 V(3F)2F 26 0.155 V(1F)2F 25 0.140 V(3F)4F 23 13 735676. 735505.346 -170.7 1.377 3d3D4s 4D -0.903 V(3D)4D 24 -0.401 V(1F)2F 25 -0.144 E(1S)2F 4 14 739482. 739246.425 -235.6 1.155 5f 2F 0.968 E(1S)2F 4 -0.204 V(3D)4D 24 0.119 V(1F)2F 25 15 746550. 746643.006 93.0 1.181 3d1F4s 2F 0.889 V(1F)2F 25 -0.350 V(3D)4D 24 -0.191 E(1S)2F 4 16 807835. 807837.257 2.3 1.143 6f 2F 0.999 F(1S)2F 5 0.032 U(1G)2F 21 17 848954. 848955.807 1.8 1.143 7f 2F -0.999 G(1S)2F 6 18 875620. 875623.452 3.5 1.143 8f 2F 1.000 H(1S)2F 7 19 891901.521 1.143 -1.000 I(1S)2F 8 20 904864.603 1.143 1.000 J(1S)2F 9 J 3.5 21 914435.899 1.143 -1.000 K(1S)2F 10 22 921708.071 1.143 1.000 L(1S)2F 11 23 927352.386 1.143 -1.000 M(1S)2F 12 24 931829.960 1.143 -1.000 N(1S)2F 13 25 1261011.308 1.422 0.987 C(3P)4D 1 -0.162 C(1D)2F 2 26 1269751.026 1.151 0.987 C(1D)2F 2 0.162 C(3P)4D 1 26 VECTORS WRITTEN TO UNIT 3 25.06 J 4.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 375303.084 1.183 -0.955 U(3F)4G 5 0.268 U(3F)4F 6 -0.123 U(3F)2G 8 2 388275.359 1.310 0.938 U(3F)4F 6 0.259 U(3F)2G 8 0.229 U(3F)4G 5 3 411709.313 1.116 -0.899 U(3F)2G 8 -0.274 U(1G)2G 9 0.214 U(3F)4F 6 4 417266.180 0.927 0.956 U(1G)2H 7 0.238 U(3F)2G 8 -0.162 U(1G)2G 9 5 447227.948 1.102 0.947 U(1G)2G 9 -0.229 U(3F)2G 8 0.220 U(1G)2H 7 6 707580.492 1.334 1.000 V(3F)4F 10 7 810102.313 0.909 1.000 O(1S)2H 1 8 849752.016 0.909 1.000 P(1S)2H 2 9 875506.714 0.909 -1.000 Q(1S)2H 3 10 893169.712 0.909 -1.000 R(1S)2H 4 10 VECTORS WRITTEN TO UNIT 3 25.06 J 5.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 373493.823 1.273 1.000 U(3F)4G 5 2 407656.496 1.091 1.000 U(1G)2H 6 3 810105.063 1.091 1.000 O(1S)2H 1 4 849753.665 1.091 -1.000 P(1S)2H 2 5 875507.814 1.091 -1.000 Q(1S)2H 3 6 893170.812 1.091 1.000 R(1S)2H 4 6 VECTORS WRITTEN TO UNIT 3 25.06 J 6.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 875621.600 0.933 1.000 S(1S)2K 1 2 893254.200 0.933 1.000 T(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 25.06 J 7.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 875622.350 1.067 1.000 S(1S)2K 1 2 893254.950 1.067 1.000 T(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 %DCL-W-SKPDAT, image data (records not beginning with "$") ignored KURUCZ job terminated at 18-AUG-2015 17:08:54.15 Accounting information: Buffered I/O count: 159 Peak working set size: 9504 Direct I/O count: 237 Peak virtual size: 322688 Page faults: 2073 Mounted volumes: 0 Charged CPU time: 0 00:00:00.22 Elapsed time: 0 00:00:02.12