$ 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 1201 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN B1201OZ.PUN FOR007 $ASSIGN C1201OZ.EIG FOR003 $ASSIGN H1201OZ.HAM FOR001 $ASSIGN EAV1201OZ.DAT FOR066 $ASSIGN POOLG:B1201O15 FOR015 $ASSIGN POOLG:B1201O16 FOR016 $RUN CRAY:LEAST3007 NPAR 267 NJ 8 FIRSTJ 0.5 1 p 6 s 0 p 1 d 0 p 0 f 0 h 0 k 0 2 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 3 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 4 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 5 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 6 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 7 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 8 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 9 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 A p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 B p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 C p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 D p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 E p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 F p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 G p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 H p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 I p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 J p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 K p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 L p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 M p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 N p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 O p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 P p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 Q p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 R p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 S p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 T p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 U p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 V p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 W p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 X p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 Y p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 Z p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 a p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 b p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 c p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 d p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 e p 5 s 2 p 0 d 0 p 0 f 0 h 0 k 0 f p 5 s 1 p 0 d 1 p 0 f 0 h 0 k 0 g p 5 s 0 p 0 d 2 p 0 f 0 h 0 k 0 h p 5 s 0 p 2 d 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 30 39 34 26 15 11 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 169 39 1 0 30 69 103 129 144 155 162 169 169 169 169 169 169 169 169 169 169 169 169 169 169 169 0 1 2 3 Brage, T. and Gaardsted, J.O. 1991. Physica Scripta 44, 336-342. 4 Biemont, E. and Brault, J.W. 1986. Physica Scripta 34, 751-758. 5 Martin, W.C. and Zalubas, R. 1980. J. Phys. Chem. Ref. Data 9, 1-58. 6 Risberg, P. 1955. Ark. Fys. 9, 483-496. 7 8 Ek Ryd estimated as Ei+(Ei-Eh)/2 9 1 0 0 0 0.300 1.500 1 0.7 40 40 50 50 40 30 20 20 10 10 10 10 10 10 0 0 0 0 0 0 0 0 0 1 0.7 30 39 34 26 15 11 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12.01 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 3d2 2p5 3p2 SENORITY MIXING CORRECTIONS 0 0.5 35669.31 3p 2P 3p 2P 0 0.5 80619.50 4p 2P 4p 2P 0 0.5 97455.12 5p 2P 5p 2P 0 0.5 105622.34 6p 2P 6p 2P 0 0.5 110203.58 7p 2P 7p 2P 0 0.5 113030.25 8p 2P 8p 2P 0 0.5 114896.79 9p 2P 9p 2P 0 0.5 116193.69 R 10p 2P 10p 2P 0 0.5 117131.30 R 11p 2P 11p 2P 0 0.5 117831.08 R 12p 2P 12p 2P 0 0.5 118367.18 R 13p 2P 13p 2P 0 0.5 118786.95 R 14p 2P 14p 2P 0 0.5 404510. 2p5.3s2 2P 3s2 2P 0 0.5 477490. 2p5.3p2(1D) 2P 3p2(1D) 2P 1 0.5 2p5.3p2(3P) 4P 3p2(3P) 4P 1 0.5 2p5.3s(3P)3d 4P 3s3P3d 4P 1 0.5 2p5.3p2(1D) 4D 3p2(1D) 4D 1 0.5 2p5.3s(3P)3d 4D 3s3P3d 4D 0 0.5 493800. 2p5.3s(1P)3d 2P 3s1P3d 2P 1 0.5 2p5.3p2(3P) 2S 3p2(3P) 2S 1 0.5 501730. 2p5.3p2(3P) 2P 3p2(3P) 2P 1 0.5 2p5.3p2(1S) 2P 3p2(1S) 2P 1 0.5 2p5.3p2(3P) 2P 3p2(3P) 2P 1 0.5 1 0.5 1 0.5 0 -1.0 0 1.5 35760.88 3p 2P 3p 2P 0 1.5 80650.02 4p 2P 4p 2P 0 1.5 97468.92 5p 2P 5p 2P 0 1.5 105629.72 6p 2P 6p 2P 0 1.5 110207.99 7p 2P 7p 2P 0 1.5 113033.09 8p 2P 8p 2P 0 1.5 114898.72 9p 2P 9p 2P 0 1.5 116195.05 R 10p 2P 10p 2P 0 1.5 117132.30 R 11p 2P 11p 2P 0 1.5 117831.84 R 12p 2P 12p 2P 0 1.5 118367.77 R 13p 2P 13p 2P 0 1.5 118787.41 R 14p 2P 14p 2P 0 1.5 402590. 2p5.3s2 2P 2p5 3s2 2P 0 1.5 478260. 2p5.3p2(1D) 2P 3p2(1D) 2P 1 1.5 2p5.3p2(1D) 2D 3p2(1D) 2D 1 1.5 2p5.3p2(3P) 4P 3p2(3P) 4P 1 1.5 2p5.3p2(3P) 4D 3p2(3P) 4D 0 1.5 489215. 2p5.3s(3P)3d 4P 3s3P3d 4P 1 1.5 2p5.3s(3P)3d 4F 3s3P3d 4F 1 1.5 2p5.3s(3P)3d 4D 3s3P3d 4D 1 1.5 2p5.3p2(3P) 2D 3p2(3P) 2D 0 1.5 492760. 2p5.3s(1P)3d 2P 3s1P3d 2P 1 1.5 2p5.3s(1P)3d 2D 3s1P3d 2D 1 1.5 2p5.3p2(3P) 4S 3p2(3P) 4S 1 1.5 2p5.3p2(3P) 2P 3p2(3P) 2P 0 1.5 505780. 2p5.3p2(1S) 2P 3p2(1S) 2P 1 1.5 2p5.3p2(1D) 2D 3p2(1D) 2D 1 1.5 2p5.3p2(1D) 2P 3p2(1D) 2P 0 -1.0 0 2.5 93799.63 4f 2F 4f 2F 0 2.5 103689.86 5f 2F 5f 2F 0 2.5 109062.32 6f 2F 6f 2F 0 2.5 112301.47 7f 2F 7f 2F 0 2.5 114403.55 8f 2F 8f 2F 0 2.5 115844.60 9f 2F 9f 2F 0 2.5 116875.25 10f 2F 10f 2F 0 2.5 117637.77 R 11f 2F 11f 2F 0 2.5 118217.68 R 12f 2F 12f 2F 0 2.5 118668.96 R 13f 2F 13f 2F 0 2.5 119027.02 R 14f 2F 14f 2F 1 2.5 2p5.3p2(1D) 2F 3p2(1D) 2F 0 2.5 483375. 2p5.3p2(3P) 4P 3p2(3P) 4P 1 2.5 2p5.3p2(3P) 2D 3p2(3P) 2D 0 2.5 487746. 2p5.3p2(3P) 4D 3p2(3P) 4D 0 2.5 489437. 2p5.3s(3P)3d 4P 3s3P3d 4P 0 2.5 490271. 2p5.3s(3P)3d 4F 3s3P3d 4F 1 2.5 2p5.3p2(3P) 2D 3p2(3P) 2D 1 2.5 2p5.3s(3P)3d 4D 3s3P3d 4D 1 2.5 2p5.3s(1P)3d 2F 3s1P3d 2F 1 2.5 2p5.3s(1P)3d 2D 3s1P3d 2D 1 2.5 2p5.3p2(1D) 2F 3p2(1D) 2F 1 2.5 2p5.3p2(1D) 2D 3p2(1D) 2D 0 -1.0 0 3.5 93799.75 4f 2F 4f 2F 0 3.5 103689.92 5f 2F 5f 2F 0 3.5 109062.35 6f 2F 6f 2F 0 3.5 112301.47 7f 2F 7f 2F 0 3.5 114403.55 8f 2F 8f 2F 0 3.5 115844.60 9f 2F 9f 2F 0 3.5 116875.25 10f 2F 10f 2F 0 3.5 117637.77 R 11f 2F 11f 2F 0 3.5 118217.68 R 12f 2F 12f 2F 0 3.5 118668.96 R 13f 2F 13f 2F 0 3.5 119027.02 R 14f 2F 14f 2F 1 3.5 2p5.3p2(1D) 2F 3p2(1D) 2F 0 3.5 487209. 2p5.3p2(3P) 4D 3p2(3P) 4D 0 3.5 489778. 2p5.3s(3P)3d 4F 3s3P3d 4F 1 3.5 2p5.3s(3P)3d 4D 3s3P3d 4D 1 3.5 2p5.3s(1P)3d 2F 3s1P3d 2F 1 3.5 2p5.3s(3P)3d 2F 3s3P3d 2F 0 -1.0 0 4.5 109073.97 6h 2H 6h 2H 0 4.5 112309.06 7h 2H 7h 2H 0 4.5 114408.74 8h 2H 8h 2H 0 4.5 115848.28 9h 2H 9h 2H 0 4.5 116878.04 10h 2H 10h 2H 0 4.5 117639.88 R 11h 2H 11h 2H 0 4.5 118219.33 R 12h 2H 12h 2H 0 4.5 118670.27 R 13h 2H 13h 2H 0 4.5 119028.07 R 14h 2H 14h 2H 0 4.5 489383. 2p5.3s(3P)3d 4F 3s3P3d 4F 0 -1.0 0 5.5 109073.97 6h 2H 6h 2H 0 5.5 112309.06 7h 2H 7h 2H 0 5.5 114408.74 8h 2H 8h 2H 0 5.5 115848.28 9h 2H 9h 2H 0 5.5 116878.04 10h 2H 10h 2H 0 5.5 117639.88 R 11h 2H 11h 2H 0 5.5 118219.33 R 12h 2H 12h 2H 0 5.5 118670.27 R 13h 2H 13h 2H 0 5.5 119028.07 R 14h 2H 14h 2H 0 -1.0 0 6.5 114409.16 R 8k 2K 8k 2K 0 6.5 115848.64 R 9k 2K 9k 2K 0 6.5 116878.18 R 10k 2K 10k 2K 0 6.5 117639.99 R 11k 2K 11k 2K 0 6.5 118219.30 R 12k 2K 12k 2K 0 6.5 118670.32 R 13k 2K 13k 2K 0 6.5 119028.10 R 14k 2K 14k 2K 0 7.5 114409.16 R 8k 2K 8k 2K 0 7.5 115848.64 R 9k 2K 9k 2K 0 7.5 116878.18 R 10k 2K 10k 2K 0 7.5 117639.99 R 11k 2K 11k 2K 0 7.5 118219.30 R 12k 2K 12k 2K 0 7.5 118670.32 R 13k 2K 13k 2K 0 7.5 119028.10 R 14k 2K 14k 2K 267 72.5 58 LEAST SQUARES 1 1 EAV 37676.3 51.0 35494.9 1.000 0 -2415.0 0 2p6 3p 2 1 ZETA 3 60.0 69.0 68.7 1.000 0 0.0 0 3 2 EAV 80658.7 51.0 82418.0 1.000 0 -2415.0 0 2p6 4p 4 2 ZETA 5 20.3 68.0 23.6 1.000 0 0.0 0 5 3 EAV 97472.4 51.0 99622.8 1.000 0 -2415.0 0 2p6 5p 6 3 ZETA 5 9.2 68.0 10.8 1.000 0 0.0 0 7 4 EAV 105631.5 51.0 107914.4 1.000 0 -2415.0 0 2p6 6p 8 4 ZETA 5 4.9 68.0 5.8 1.000 0 0.0 0 9 5 EAV 110209.0 51.0 112549.4 1.000 0 -2415.0 0 2p6 7p 10 5 ZETA 5 2.9 68.0 3.5 1.000 0 0.0 0 11 6 EAV 113033.7 51.0 115403.5 1.000 0 -2415.0 0 2p6 8p 12 6 ZETA 5 1.9 68.0 2.2 1.000 0 0.0 0 13 7 EAV 114899.1 51.0 117285.0 1.000 0 -2415.0 0 2p6 9p 14 7 ZETA 5 1.3 68.0 1.5 1.000 0 0.0 0 15 8 EAV 116195.4 51.0 118591.0 1.000 0 -2415.0 0 2p6 10p 16 8 ZETA 5 0.9 68.0 1.1 1.000 0 0.0 0 17 9 EAV 117132.5 51.0 119535.2 1.000 0 -2415.0 0 2p6 11p 18 9 ZETA 5 0.7 68.0 0.8 1.000 0 0.0 0 19 A EAV 117832.0 51.0 120238.6 1.000 0 -2415.0 0 2p6 12p 20 A ZETA 5 0.5 68.0 0.6 1.000 0 0.0 0 21 B EAV 118367.9 51.0 120777.2 1.000 0 -2415.0 0 2p6 13p 22 B ZETA 5 0.4 68.0 0.5 1.000 0 0.0 0 23 C EAV 118787.5 51.0 121199.2 1.000 0 -2415.0 0 2p6 14p 24 C ZETA 5 0.3 68.0 0.4 1.000 0 0.0 0 25 D EAV 93801.2 51.0 96186.1 1.000 0 -2415.0 0 2p6 4f 26 D ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 27 E EAV 103690.7 51.0 106083.3 1.000 0 -2415.0 0 2p6 5f 28 E ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 29 F EAV 109062.8 51.0 111464.5 1.000 0 -2415.0 0 2p6 6f 30 F ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 31 G EAV 112301.8 51.0 114709.2 1.000 0 -2415.0 0 2p6 7f 32 G ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 33 H EAV 114403.8 51.0 116815.0 1.000 0 -2415.0 0 2p6 8f 34 H ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 35 I EAV 115844.8 51.0 118258.4 1.000 0 -2415.0 0 2p6 9f 36 I ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 37 J EAV 116875.4 51.0 119290.5 1.000 0 -2415.0 0 2p6 10f 38 J ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 39 K EAV 117637.9 51.0 120053.7 1.000 0 -2415.0 0 2p6 11f 40 K ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 L EAV 118217.7 51.0 120634.8 1.000 0 -2415.0 0 2p6 12f 42 L ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 M EAV 118669.0 51.0 121086.8 1.000 0 -2415.0 0 2p6 13f 44 M ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 N EAV 119027.1 51.0 121445.0 1.000 0 -2415.0 0 2p6 14f 46 N ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 O EAV 109074.0 51.0 111494.1 1.000 0 -2420.0 0 2p6 6h 48 O ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 P EAV 112309.1 51.0 114729.0 1.000 0 -2420.0 0 2p6 7h 50 P ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 Q EAV 114408.7 51.0 116828.8 1.000 0 -2420.0 0 2p6 8h 52 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 R EAV 115848.3 51.0 118268.1 1.000 0 -2420.0 0 2p6 9h 54 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 S EAV 116878.0 51.0 119297.6 1.000 0 -2420.0 0 2p6 10h 56 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 T EAV 117639.9 51.0 120059.7 1.000 0 -2420.0 0 2p6 11h 58 T ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 U EAV 118219.3 51.0 120639.4 1.000 0 -2420.0 0 2p6 12h 60 U ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 V EAV 118670.3 51.0 121089.9 1.000 0 -2420.0 0 2p6 13h 62 V ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 W EAV 119028.1 51.0 121447.5 1.000 0 -2420.0 0 2p6 14h 64 W ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 X EAV 114409.2 51.0 116828.7 1.000 0 -2420.0 0 2p6 8k 66 X ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 Y EAV 115848.6 51.0 118268.3 1.000 0 -2420.0 0 2p6 9k 68 Y ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 Z EAV 116878.2 51.0 119297.8 1.000 0 -2420.0 0 2p6 10k 70 Z ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 a EAV 117640.0 51.0 120059.8 1.000 0 -2420.0 0 2p6 11k 72 a ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 b EAV 118219.3 51.0 120638.8 1.000 0 -2420.0 0 2p6 12k 74 b ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 75 c EAV 118670.3 51.0 121089.8 1.000 0 -2420.0 0 2p6 13k 76 c ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 77 d EAV 119028.1 51.0 121447.9 1.000 0 -2420.0 0 2p6 14k 78 d ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 79 e EAV 408029.3 54.0 401528.7 1.000 0 0.0 0 2p5 3s2 80 e ZETA 1 1279.8 71.0 1511.2 1.000 0 0.0 0 81 f EAV 492637.1 27.0 486290.6 1.000 0 0.0 0 2p5 3s3d 82 f ZETA 1 1288.5 0.0 1519.4 FIXEDHF 0.848 0 0.0 0 83 f ZETA 4 0.6 0.0 0.6 FIXEDHF 1.000 0 0.0 0 84 f F2(14) 3684.6 0.0 4605.7 FIXEDHF 0.800 0 0.0 0 85 f G1(12) 4270.1 151.0 8364.7 0.800 0 0.0 0 86 f G1(14) 1321.8 0.0 1652.2 FIXEDHF 0.800 0 0.0 0 87 f G3(14) 738.5 0.0 923.1 FIXEDHF 0.800 0 0.0 0 88 f G2(24) 14823.7 0.0 19504.9 FIXEDHF 0.760 0 0.0 0 89 g EAV 593778.8 0.0 586278.8 FIXEDHF 1.000 0 7500.0 0 2p5 3d2 90 g F2(44) 20216.2 0.0 25270.2 FIXEDHF 0.800 0 0.0 0 91 g F4(44) 12916.1 0.0 16145.1 FIXEDHF 0.800 0 0.0 0 92 g ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 93 g BETA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 94 g t(d 2) 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 95 g ZETA 1 1297.4 0.0 1529.9 FIXEDHF 0.848 0 0.0 0 96 g ZETA 4 1.0 0.0 1.0 FIXEDHF 1.000 0 0.0 0 97 g F2(14) 4877.1 0.0 6096.4 FIXEDHF 0.800 0 0.0 0 98 g G1(14) 2000.8 0.0 2501.0 FIXEDHF 0.800 0 0.0 0 99 g G3(14) 1120.4 0.0 1400.5 FIXEDHF 0.800 0 0.0 0 100 h EAV 493065.9 35.0 485320.3 1.000 0 0.0 0 2p5 3p2 101 h F2(33) 20922.9 214.0 33676.0 0.800 0 0.0 0 102 h ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 103 h ZETA 1 1272.7 0.0 1513.3 FIXEDHF 0.841 0 0.0 0 104 h ZETA 3 102.2 0.0 102.2 FIXEDHF 1.000 0 0.0 0 105 h F2(13) 18342.6 209.0 13747.7 0.800 0 0.0 0 106 h G0(13) 5841.7 0.0 7302.1 FIXEDHF 0.800 0 0.0 0 107 h G2(13) 4783.4 0.0 5979.3 FIXEDHF 0.800 0 0.0 0 108 1e 1D1322 -3726.0 0.0 -4657.5 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s2 109 1f 1D1324 -3951.8 0.0 -4939.7 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s3d 110 1f 1E1324 -4668.9 0.0 -5836.1 FIXEDHF 0.800 0 0.0 0 111 1g 1D1344 -4150.2 0.0 -5187.8 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3d2 112 1g 3D1344 -1585.9 0.0 -1982.4 FIXEDHF 0.800 0 0.0 0 113 1h 0D1113 3962.7 0.0 4953.4 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3p2 114 1h 2D1113 16978.9 0.0 21223.6 FIXEDHF 0.800 0 0.0 0 115 1h 0D1333 221.4 0.0 276.7 FIXEDHF 0.800 0 0.0 0 116 1h 2D1333 -2134.6 0.0 -2668.2 FIXEDHF 0.800 0 0.0 0 117 2e 1D1522 -1445.0 0.0 -1806.3 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s2 118 2f 1D1524 -972.5 0.0 -1215.6 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s3d 119 2f 1E1524 -2174.5 0.0 -2718.1 FIXEDHF 0.800 0 0.0 0 120 2g 1D1544 -1189.1 0.0 -1486.4 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3d2 121 2g 3D1544 -694.4 0.0 -868.0 FIXEDHF 0.800 0 0.0 0 122 2h 0D1533 977.8 0.0 1222.3 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3p2 123 2h 2D1533 -795.7 0.0 -994.6 FIXEDHF 0.800 0 0.0 0 124 3e 1D1522 -838.0 0.0 -1047.5 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s2 125 3f 1D1524 -570.9 0.0 -713.6 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s3d 126 3f 1E1524 -1355.7 0.0 -1694.6 FIXEDHF 0.800 0 0.0 0 127 3g 1D1544 -694.1 0.0 -867.6 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3d2 128 3g 3D1544 -428.2 0.0 -535.2 FIXEDHF 0.800 0 0.0 0 129 3h 0D1533 646.6 0.0 808.2 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3p2 130 3h 2D1533 -452.1 0.0 -565.1 FIXEDHF 0.800 0 0.0 0 131 4e 1D1522 -568.7 0.0 -710.9 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s2 132 4f 1D1524 -390.0 0.0 -487.5 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s3d 133 4f 1E1524 -955.3 0.0 -1194.1 FIXEDHF 0.800 0 0.0 0 134 4g 1D1544 -474.7 0.0 -593.4 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3d2 135 4g 3D1544 -300.3 0.0 -375.4 FIXEDHF 0.800 0 0.0 0 136 4h 0D1533 469.0 0.0 586.2 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3p2 137 4h 2D1533 -303.0 0.0 -378.8 FIXEDHF 0.800 0 0.0 0 138 5e 1D1522 -420.3 0.0 -525.4 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s2 139 5f 1D1524 -289.4 0.0 -361.8 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s3d 140 5f 1E1524 -722.0 0.0 -902.5 FIXEDHF 0.800 0 0.0 0 141 5g 1D1544 -352.8 0.0 -441.0 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3d2 142 5g 3D1544 -226.4 0.0 -283.0 FIXEDHF 0.800 0 0.0 0 143 5h 0D1533 360.2 0.0 450.3 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3p2 144 5h 2D1533 -222.2 0.0 -277.8 FIXEDHF 0.800 0 0.0 0 145 6e 1D1522 -327.8 0.0 -409.7 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s2 146 6f 1D1524 -226.4 0.0 -283.0 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s3d 147 6f 1E1524 -571.2 0.0 -714.0 FIXEDHF 0.800 0 0.0 0 148 6g 1D1544 -276.2 0.0 -345.3 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3d2 149 6g 3D1544 -178.9 0.0 -223.6 FIXEDHF 0.800 0 0.0 0 150 6h 0D1533 288.0 0.0 360.0 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3p2 151 6h 2D1533 -172.4 0.0 -215.5 FIXEDHF 0.800 0 0.0 0 152 7e 1D1522 -265.2 0.0 -331.5 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s2 153 7f 1D1524 -183.5 0.0 -229.4 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s3d 154 7f 1E1524 -467.0 0.0 -583.7 FIXEDHF 0.800 0 0.0 0 155 7g 1D1544 -224.2 0.0 -280.2 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3d2 156 7g 3D1544 -146.1 0.0 -182.6 FIXEDHF 0.800 0 0.0 0 157 7h 0D1533 237.0 0.0 296.3 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3p2 158 7h 2D1533 -139.0 0.0 -173.7 FIXEDHF 0.800 0 0.0 0 159 8e 1D1522 -220.6 0.0 -275.7 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s2 160 8f 1D1524 -152.8 0.0 -191.0 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s3d 161 8f 1E1524 -391.1 0.0 -488.9 FIXEDHF 0.800 0 0.0 0 162 8g 1D1544 -186.8 0.0 -233.5 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3d2 163 8g 3D1544 -122.2 0.0 -152.8 FIXEDHF 0.800 0 0.0 0 164 8h 0D1533 199.5 0.0 249.4 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3p2 165 8h 2D1533 -115.3 0.0 -144.1 FIXEDHF 0.800 0 0.0 0 166 9e 1D1522 -187.3 0.0 -234.1 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s2 167 9f 1D1524 -129.8 0.0 -162.3 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s3d 168 9f 1E1524 -333.9 0.0 -417.4 FIXEDHF 0.800 0 0.0 0 169 9g 1D1544 -158.8 0.0 -198.5 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3d2 170 9g 3D1544 -104.3 0.0 -130.4 FIXEDHF 0.800 0 0.0 0 171 9h 0D1533 171.0 0.0 213.8 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3p2 172 9h 2D1533 -97.7 0.0 -122.1 FIXEDHF 0.800 0 0.0 0 173 Ae 1D1522 -161.7 0.0 -202.1 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s2 174 Af 1D1524 -112.2 0.0 -140.2 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s3d 175 Af 1E1524 -289.5 0.0 -361.9 FIXEDHF 0.800 0 0.0 0 176 Ag 1D1544 -137.2 0.0 -171.5 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3d2 177 Ag 3D1544 -90.4 0.0 -113.0 FIXEDHF 0.800 0 0.0 0 178 Ah 0D1533 148.6 0.0 185.8 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3p2 179 Ah 2D1533 -84.2 0.0 -105.2 FIXEDHF 0.800 0 0.0 0 180 Be 1D1522 -141.4 0.0 -176.8 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s2 181 Bf 1D1524 -98.2 0.0 -122.7 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s3d 182 Bf 1E1524 -254.2 0.0 -317.7 FIXEDHF 0.800 0 0.0 0 183 Bg 1D1544 -120.2 0.0 -150.2 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3d2 184 Bg 3D1544 -79.4 0.0 -99.2 FIXEDHF 0.800 0 0.0 0 185 Bh 0D1533 130.8 0.0 163.5 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3p2 186 Bh 2D1533 -73.5 0.0 -91.9 FIXEDHF 0.800 0 0.0 0 187 Ce 1D1522 -125.1 0.0 -156.4 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s2 188 Cf 1D1524 -86.9 0.0 -108.6 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s3d 189 Cf 1E1524 -225.4 0.0 -281.8 FIXEDHF 0.800 0 0.0 0 190 Cg 1D1544 -106.3 0.0 -132.9 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3d2 191 Cg 3D1544 -70.3 0.0 -87.9 FIXEDHF 0.800 0 0.0 0 192 Ch 0D1533 116.2 0.0 145.3 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3p2 193 Ch 2D1533 -65.0 0.0 -81.2 FIXEDHF 0.800 0 0.0 0 194 Df 1D1624 1014.1 0.0 1267.6 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3s3d 195 Df 3E1624 196.6 0.0 245.7 FIXEDHF 0.800 0 0.0 0 196 Dg 1D1644 994.0 0.0 1242.5 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3d2 197 Dg 3D1644 230.5 0.0 288.1 FIXEDHF 0.800 0 0.0 0 198 Dh 2D1633 416.5 0.0 520.6 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3p2 199 Ef 1D1624 747.5 0.0 934.4 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3s3d 200 Ef 3E1624 173.6 0.0 217.0 FIXEDHF 0.800 0 0.0 0 201 Eg 1D1644 759.3 0.0 949.1 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3d2 202 Eg 3D1644 194.6 0.0 243.2 FIXEDHF 0.800 0 0.0 0 203 Eh 2D1633 353.2 0.0 441.5 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3p2 204 Ff 1D1624 571.0 0.0 713.8 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3s3d 205 Ff 3E1624 144.4 0.0 180.5 FIXEDHF 0.800 0 0.0 0 206 Fg 1D1644 589.2 0.0 736.5 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3d2 207 Fg 3D1644 158.2 0.0 197.8 FIXEDHF 0.800 0 0.0 0 208 Fh 2D1633 287.7 0.0 359.6 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3p2 209 Gf 1D1624 453.4 0.0 566.7 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3s3d 210 Gf 3E1624 120.2 0.0 150.3 FIXEDHF 0.800 0 0.0 0 211 Gg 1D1644 471.8 0.0 589.7 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3d2 212 Gg 3D1644 130.1 0.0 162.6 FIXEDHF 0.800 0 0.0 0 213 Gh 2D1633 236.6 0.0 295.8 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3p2 214 Hf 1D1624 371.0 0.0 463.7 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3s3d 215 Hf 3E1624 101.4 0.0 126.7 FIXEDHF 0.800 0 0.0 0 216 Hg 1D1644 388.1 0.0 485.1 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3d2 217 Hg 3D1644 108.7 0.0 135.9 FIXEDHF 0.800 0 0.0 0 218 Hh 2D1633 198.0 0.0 247.5 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3p2 219 If 1D1624 310.8 0.0 388.5 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3s3d 220 If 3E1624 86.6 0.0 108.3 FIXEDHF 0.800 0 0.0 0 221 Ig 1D1644 326.2 0.0 407.8 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3d2 222 Ig 3D1644 92.5 0.0 115.6 FIXEDHF 0.800 0 0.0 0 223 Ih 2D1633 168.3 0.0 210.4 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3p2 224 Jf 1D1624 265.3 0.0 331.6 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3s3d 225 Jf 3E1624 75.0 0.0 93.8 FIXEDHF 0.800 0 0.0 0 226 Jg 1D1644 279.2 0.0 349.0 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3d2 227 Jg 3D1644 79.8 0.0 99.7 FIXEDHF 0.800 0 0.0 0 228 Jh 2D1633 145.2 0.0 181.5 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3p2 229 Kf 1D1624 229.9 0.0 287.4 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3s3d 230 Kf 3E1624 65.8 0.0 82.2 FIXEDHF 0.800 0 0.0 0 231 Kg 1D1644 242.4 0.0 303.0 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3d2 232 Kg 3D1644 69.6 0.0 87.0 FIXEDHF 0.800 0 0.0 0 233 Kh 2D1633 126.8 0.0 158.5 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3p2 234 Lf 1D1624 201.8 0.0 252.2 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3s3d 235 Lf 3E1624 58.2 0.0 72.7 FIXEDHF 0.800 0 0.0 0 236 Lg 1D1644 213.0 0.0 266.3 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3d2 237 Lg 3D1644 61.4 0.0 76.8 FIXEDHF 0.800 0 0.0 0 238 Lh 2D1633 111.9 0.0 139.9 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3p2 239 Mf 1D1624 179.0 0.0 223.7 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3s3d 240 Mf 3E1624 51.9 0.0 64.9 FIXEDHF 0.800 0 0.0 0 241 Mg 1D1644 189.1 0.0 236.4 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3d2 242 Mg 3D1644 54.7 0.0 68.4 FIXEDHF 0.800 0 0.0 0 243 Mh 2D1633 99.7 0.0 124.6 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3p2 244 Nf 1D1624 160.1 0.0 200.1 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3s3d 245 Nf 3E1624 46.6 0.0 58.3 FIXEDHF 0.800 0 0.0 0 246 Ng 1D1644 169.4 0.0 211.7 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3d2 247 Ng 3D1644 49.2 0.0 61.5 FIXEDHF 0.800 0 0.0 0 248 Nh 2D1633 89.5 0.0 111.9 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3p2 249 Og 3D1744 4.6 0.0 5.8 FIXEDHF 0.800 0 0.0 0 2p6 6h -2p5 3d2 250 Pg 3D1744 5.2 0.0 6.5 FIXEDHF 0.800 0 0.0 0 2p6 7h -2p5 3d2 251 Qg 3D1744 5.0 0.0 6.3 FIXEDHF 0.800 0 0.0 0 2p6 8h -2p5 3d2 252 Rg 3D1744 4.7 0.0 5.9 FIXEDHF 0.800 0 0.0 0 2p6 9h -2p5 3d2 253 Sg 3D1744 4.3 0.0 5.4 FIXEDHF 0.800 0 0.0 0 2p6 10h -2p5 3d2 254 Tg 3D1744 3.9 0.0 4.9 FIXEDHF 0.800 0 0.0 0 2p6 11h -2p5 3d2 255 Ug 3D1744 3.5 0.0 4.4 FIXEDHF 0.800 0 0.0 0 2p6 12h -2p5 3d2 256 Vg 3D1744 3.2 0.0 4.0 FIXEDHF 0.800 0 0.0 0 2p6 13h -2p5 3d2 257 Wg 3D1744 3.0 0.0 3.7 FIXEDHF 0.800 0 0.0 0 2p6 14h -2p5 3d2 258 ef 2D1214 4334.0 0.0 5417.5 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3s3d 259 ef 1E1214 -366.5 0.0 -458.1 FIXEDHF 0.800 0 0.0 0 260 eg 2D2244 19861.8 0.0 24827.2 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3d2 261 eh 1D2233 37358.2 0.0 46697.8 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3p2 262 fg 2D1214 5087.3 0.0 6359.1 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3d2 263 fg 1E1214 -553.4 0.0 -691.7 FIXEDHF 0.800 0 0.0 0 264 fg 2D2444 17225.9 0.0 21532.4 FIXEDHF 0.800 0 0.0 0 265 fh 1D2433 28551.9 0.0 35689.9 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3p2 266 gh 1D4433 27958.0 0.0 34947.5 FIXEDHF 0.800 0 0.0 0 2p5 3d2 -2p5 3p2 267 gh 3D4433 16697.2 0.0 20871.5 FIXEDHF 0.800 0 0.0 0 12.01 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 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 35669.31 35669.266 0.0 0.666 3p 2P 0.998 1(2P)2P 1 0.050 h(3P)2P 27 0.036 h(1D)2P 28 2 80619.50 80619.509 0.0 0.666 4p 2P -1.000 2(1S)2P 2 3 97455.12 97455.112 0.0 0.666 5p 2P 1.000 3(1S)2P 3 4 105622.34 105622.380 0.0 0.666 6p 2P 1.000 4(1S)2P 4 5 110203.58 110203.621 0.0 0.666 7p 2P 1.000 5(1S)2P 5 6 113030.25 113030.220 0.0 0.666 8p 2P 1.000 6(1S)2P 6 7 114896.79 114896.732 -0.1 0.666 9p 2P -1.000 7(1S)2P 7 8 116193.69 R 116193.744 0.1 0.666 10p 2P 1.000 8(1S)2P 8 9 117131.30 R 117131.245 -0.1 0.666 11p 2P -1.000 9(1S)2P 9 10 117831.08 R 117831.082 0.0 0.666 12p 2P -1.000 A(1S)2P 10 11 118367.18 R 118367.176 0.0 0.666 13p 2P 1.000 B(1S)2P 11 12 118786.95 R 118786.945 0.0 0.666 14p 2P 1.000 C(1S)2P 12 13 404510. 404509.634 -0.4 0.666 3s2 2P 0.978 e(2P)2P 13 0.207 h(1S)2P 29 14 477490. 477661.852 171.9 0.667 3p2(1D) 2P 0.713 h(1D)2P 28 -0.493 f(3P)2P 17 -0.403 h(3P)2P 27 15 483926.059 2.657 3p2(3P) 4P -0.991 h(3P)4P 26 -0.084 g(3P)4P 20 0.076 h(3P)2S 30 16 488766.467 0.015 3s3P3d 4P 0.992 h(3P)4D 25 0.086 g(3P)4D 19 0.052 f(3P)4P 15 17 488982.520 2.623 3p2(1D) 4D 0.990 f(3P)4P 15 -0.116 f(3P)4D 14 -0.054 h(3P)4D 25 18 491002.427 0.120 3s3P3d 4D 0.917 f(3P)4D 14 -0.333 f(1P)2P 16 -0.198 f(3P)2P 17 19 493800. 493625.005 -175.0 0.584 3s1P3d 2P 0.781 f(1P)2P 16 0.485 f(3P)2P 17 0.381 f(3P)4D 14 20 494513.376 2.001 3p2(3P) 2S -0.991 h(3P)2S 30 -0.090 g(3P)2S 24 -0.076 h(3P)4P 26 J 0.5 21 501730. 497706.105 0.669 3p2(3P) 2P -0.594 h(3P)2P 27 0.527 f(3P)2P 17 0.451 h(1S)2P 29 22 506793.086 0.666 3p2(1S) 2P 0.826 h(1S)2P 29 -0.291 f(3P)2P 17 0.275 h(3P)2P 27 23 518202.825 0.666 3p2(3P) 2P 0.640 h(1D)2P 28 0.627 h(3P)2P 27 0.338 f(3P)2P 17 24 589725.580 -0.002 0.985 g(3F)4D 18 0.172 g(3P)4D 19 25 594827.682 1.839 0.756 g(3P)4P 20 -0.437 g(1D)2P 22 0.392 g(3P)2P 21 26 595141.579 1.374 -0.673 g(1D)2P 22 -0.561 g(3P)4P 20 0.396 g(3P)2P 21 27 596683.933 0.405 0.696 g(3P)4D 19 -0.480 g(1D)2P 22 -0.453 g(3P)2P 21 28 597691.953 0.803 -0.619 g(3P)4D 19 -0.501 g(3P)2S 24 -0.499 g(3P)2P 21 29 598167.821 1.581 -0.778 g(3P)2S 24 0.472 g(3P)2P 21 -0.262 g(3P)4P 20 30 610350.547 0.666 0.974 g(1S)2P 23 -0.198 h(1S)2P 29 -0.075 g(1D)2P 22 30 VECTORS WRITTEN TO UNIT 3 12.01 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 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 35760.88 35760.954 0.1 1.334 3p 2P 0.998 1(2P)2P 1 0.050 h(3P)2P 37 0.036 h(1D)2P 38 2 80650.02 80649.974 0.0 1.334 4p 2P -1.000 2(1S)2P 2 3 97468.92 97468.919 0.0 1.334 5p 2P 1.000 3(1S)2P 3 4 105629.72 105629.735 0.0 1.334 6p 2P 1.000 4(1S)2P 4 5 110207.99 110207.973 0.0 1.334 7p 2P 1.000 5(1S)2P 5 6 113033.09 113033.072 0.0 1.334 8p 2P -1.000 6(1S)2P 6 7 114898.72 114898.683 0.0 1.334 9p 2P -1.000 7(1S)2P 7 8 116195.05 R 116195.095 0.0 1.334 10p 2P 1.000 8(1S)2P 8 9 117132.30 R 117132.296 0.0 1.334 11p 2P -1.000 9(1S)2P 9 10 117831.84 R 117831.832 0.0 1.334 12p 2P 1.000 A(1S)2P 10 11 118367.77 R 118367.777 0.0 1.334 13p 2P 1.000 B(1S)2P 11 12 118787.41 R 118787.395 0.0 1.334 14p 2P -1.000 C(1S)2P 12 13 402590. 402591.705 1.7 1.334 2p5 3s2 2P 0.978 e(2P)2P 13 0.207 h(1S)2P 39 14 478260. 478277.328 17.3 1.320 3p2(1D) 2P 0.700 h(1D)2P 38 -0.480 f(3P)2P 20 -0.406 h(3P)2P 37 15 483557.076 1.217 3p2(1D) 2D -0.658 h(3P)4P 33 0.515 h(1D)2D 36 -0.488 f(3P)2D 18 16 483663.397 1.328 3p2(3P) 4P -0.738 h(3P)4P 33 -0.452 h(1D)2D 36 0.428 f(3P)2D 18 17 488275.227 1.158 3p2(3P) 4D 0.933 h(3P)4D 32 0.335 h(3P)2D 35 0.081 g(3P)4D 23 18 489215. 489159.360 -55.6 1.698 3s3P3d 4P -0.965 f(3P)4P 16 0.242 f(3P)4D 15 0.067 f(1P)2P 19 19 490373.434 0.846 3s3P3d 4F 0.926 h(3P)2D 35 -0.330 h(3P)4D 32 -0.090 f(3P)4F 14 20 490518.457 0.652 3s3P3d 4D -0.810 f(3P)4F 14 0.480 f(3P)4D 15 0.238 f(1P)2D 17 J 1.5 21 491310.231 1.036 3p2(3P) 2D -0.759 f(3P)4D 15 -0.483 f(3P)4F 14 0.328 f(1P)2P 19 22 492760. 492924.256 164.3 1.051 3s1P3d 2P -0.578 f(1P)2P 19 -0.546 f(1P)2D 17 -0.353 f(3P)2P 20 23 493644.338 1.033 3s1P3d 2D -0.632 f(1P)2D 17 0.517 f(1P)2P 19 -0.341 f(3P)2D 18 24 494474.329 1.994 3p2(3P) 4S 0.988 h(3P)4S 34 0.090 g(3P)4S 25 0.064 h(3P)4P 33 25 497629.020 1.339 3p2(3P) 2P 0.556 h(1S)2P 39 -0.539 h(3P)2P 37 0.492 f(3P)2P 20 26 505780. 505714.935 -65.1 1.331 3p2(1S) 2P 0.759 h(1S)2P 39 0.368 h(3P)2P 37 -0.347 f(3P)2P 20 27 511505.513 0.808 3p2(1D) 2D 0.695 h(1D)2D 36 0.577 f(3P)2D 18 -0.385 f(1P)2D 17 28 519011.223 1.330 3p2(1D) 2P 0.648 h(1D)2P 38 0.610 h(3P)2P 37 0.347 f(3P)2P 20 29 589803.405 1.166 0.960 g(3F)4D 22 -0.201 g(3F)4F 21 0.178 g(3P)4D 23 30 591147.542 0.506 0.867 g(3F)4F 21 -0.467 g(3F)2D 26 0.139 g(3F)4D 22 31 593253.756 0.735 0.816 g(3F)2D 26 0.449 g(3F)4F 21 -0.289 g(1D)2D 28 32 594583.115 1.678 -0.916 g(3P)4P 24 -0.242 g(3P)2P 29 0.198 g(3P)4D 23 33 595401.352 1.243 -0.672 g(1D)2P 30 0.436 g(1D)2D 28 0.434 g(3P)2P 29 34 595895.396 0.925 0.824 g(3P)2D 27 0.518 g(3P)4D 23 -0.122 g(3F)4D 22 35 596519.814 1.189 0.581 g(1D)2D 28 -0.538 g(3P)2P 29 0.365 g(3P)4D 23 36 597481.551 1.065 -0.670 g(3P)4D 23 0.497 g(3P)2D 27 0.393 g(1D)2D 28 37 597759.453 1.579 0.702 g(3P)4S 25 0.482 g(1D)2P 30 0.403 g(1D)2D 28 38 598588.939 1.519 -0.625 g(3P)2P 29 0.551 g(3P)4S 25 -0.440 g(1D)2P 30 39 608432.988 1.334 -0.972 g(1S)2P 31 0.197 h(1S)2P 39 0.094 g(1D)2P 30 39 VECTORS WRITTEN TO UNIT 3 12.01 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 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 93799.63 93799.549 -0.1 0.857 4f 2F 1.000 D(1S)2F 1 2 103689.86 103689.867 0.0 0.857 5f 2F 1.000 E(1S)2F 2 3 109062.32 109062.300 0.0 0.857 6f 2F -1.000 F(1S)2F 3 4 112301.47 112301.480 0.0 0.857 7f 2F -1.000 G(1S)2F 4 5 114403.55 114403.584 0.0 0.857 8f 2F -1.000 H(1S)2F 5 6 115844.60 115844.647 0.0 0.857 9f 2F 1.000 I(1S)2F 6 7 116875.25 116875.288 0.0 0.857 10f 2F 1.000 J(1S)2F 7 8 117637.77 R 117637.816 0.0 0.857 11f 2F -1.000 K(1S)2F 8 9 118217.68 R 118217.635 0.0 0.857 12f 2F -1.000 L(1S)2F 9 10 118668.96 R 118668.949 0.0 0.857 13f 2F 1.000 M(1S)2F 10 11 119027.02 R 119027.059 0.0 0.857 14f 2F -1.000 N(1S)2F 11 12 480303.077 0.885 3p2(1D) 2F 0.727 h(1D)2F 32 -0.567 f(3P)2F 16 0.261 f(1P)2F 15 13 483375. 483142.007 -233.0 1.583 3p2(3P) 4P 0.973 h(3P)4P 31 -0.125 h(1D)2D 34 0.118 f(3P)2D 18 14 483185.720 1.187 3p2(3P) 2D 0.656 h(1D)2D 34 -0.619 f(3P)2D 18 0.261 f(1P)2D 17 15 487746. 487794.404 48.4 1.360 3p2(3P) 4D -0.953 h(3P)4D 30 -0.278 h(3P)2D 33 -0.083 g(3P)4D 22 16 489437. 489503.077 66.1 1.548 3s3P3d 4P 0.897 f(3P)4P 14 -0.401 f(3P)4D 13 0.134 f(3P)4F 12 17 490271. 490162.296 -108.7 1.094 3s3P3d 4F -0.873 f(3P)4F 12 0.309 f(3P)4D 13 0.242 f(3P)4P 14 18 491015.946 1.216 3p2(3P) 2D 0.949 h(3P)2D 33 -0.272 h(3P)4D 30 0.084 g(3P)2D 28 19 491242.317 1.237 3s3P3d 4D -0.760 f(3P)4D 13 -0.418 f(1P)2F 15 -0.272 f(3P)4P 14 20 492487.863 0.988 3s1P3d 2F -0.706 f(1P)2F 15 -0.406 f(3P)2F 16 0.395 f(3P)4D 13 J 2.5 21 493587.902 1.192 3s1P3d 2D 0.814 f(1P)2D 17 0.443 f(3P)2D 18 -0.199 f(1P)2F 15 22 508967.255 0.903 3p2(1D) 2F -0.594 h(1D)2F 32 -0.588 f(3P)2F 16 0.394 f(1P)2F 15 23 511300.785 1.155 3p2(1D) 2D -0.652 h(1D)2D 34 -0.541 f(3P)2D 18 0.362 f(1P)2D 17 24 589942.334 1.326 -0.911 g(3F)4D 21 0.335 g(3F)4F 20 -0.189 g(3P)4D 22 25 590779.441 0.782 0.692 g(3F)4G 19 -0.506 g(3F)4F 20 -0.464 g(3F)2F 24 26 591437.310 1.020 -0.614 g(3F)4F 20 0.550 g(3F)2D 27 0.402 g(3F)2F 24 27 592492.723 0.784 -0.638 g(3F)4G 19 -0.616 g(3F)2F 24 -0.326 g(3F)4F 20 28 592985.752 1.117 0.705 g(3F)2D 27 -0.394 g(3F)2F 24 0.379 g(3F)4F 20 29 594233.555 1.585 0.970 g(3P)4P 23 -0.165 g(3P)4D 22 0.146 g(3P)2D 28 30 595240.741 0.915 0.703 g(1G)2F 25 0.518 g(1D)2F 26 -0.356 g(1D)2D 29 31 595741.840 1.294 0.737 g(3P)4D 22 0.572 g(3P)2D 28 -0.197 g(3F)4D 21 32 595955.665 1.087 -0.715 g(1D)2D 29 -0.551 g(1G)2F 25 -0.243 g(3P)4D 22 33 597482.706 1.053 0.660 g(1D)2F 26 -0.474 g(3P)2D 28 0.352 g(3P)4D 22 34 597636.131 1.154 -0.632 g(3P)2D 28 -0.475 g(1D)2F 26 0.427 g(3P)4D 22 34 VECTORS WRITTEN TO UNIT 3 12.01 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 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 93799.75 93799.900 0.2 1.143 4f 2F 1.000 D(1S)2F 1 2 103689.92 103689.867 -0.1 1.143 5f 2F 1.000 E(1S)2F 2 3 109062.35 109062.301 0.0 1.143 6f 2F -1.000 F(1S)2F 3 4 112301.47 112301.480 0.0 1.143 7f 2F 1.000 G(1S)2F 4 5 114403.55 114403.584 0.0 1.143 8f 2F 1.000 H(1S)2F 5 6 115844.60 115844.647 0.0 1.143 9f 2F -1.000 I(1S)2F 6 7 116875.25 116875.288 0.0 1.143 10f 2F 1.000 J(1S)2F 7 8 117637.77 R 117637.816 0.0 1.143 11f 2F 1.000 K(1S)2F 8 9 118217.68 R 118217.635 0.0 1.143 12f 2F -1.000 L(1S)2F 9 10 118668.96 R 118668.949 0.0 1.143 13f 2F 1.000 M(1S)2F 10 11 119027.02 R 119027.059 0.0 1.143 14f 2F 1.000 N(1S)2F 11 12 479050.327 1.143 3p2(1D) 2F 0.759 h(1D)2F 26 -0.588 f(3P)2F 15 0.278 f(1P)2F 14 13 487209. 487309.997 101.0 1.430 3p2(3P) 4D -0.996 h(3P)4D 25 -0.087 g(3P)4D 19 14 489778. 489765.607 -12.4 1.262 3s3P3d 4F -0.917 f(3P)4F 12 0.366 f(3P)4D 13 -0.138 f(1P)2F 14 15 490723.552 1.372 3s3P3d 4D 0.878 f(3P)4D 13 0.334 f(1P)2F 14 0.283 f(3P)4F 12 16 493079.005 1.178 3s1P3d 2F -0.780 f(1P)2F 14 -0.461 f(3P)2F 15 0.309 f(3P)4D 13 17 507789.475 1.143 3s3P3d 2F -0.639 h(1D)2F 26 -0.629 f(3P)2F 15 0.428 f(1P)2F 14 18 590163.728 1.359 -0.809 g(3F)4D 18 0.484 g(3F)4F 17 -0.202 g(3F)2F 22 19 590422.016 0.968 0.717 g(3F)4G 16 0.640 g(3F)2G 20 -0.177 g(3F)4D 18 20 590822.076 1.083 0.610 g(3F)2G 20 0.542 g(3F)4F 17 0.422 g(3F)2F 22 J 3.5 21 592266.410 1.144 0.674 g(3F)4F 17 0.494 g(3F)4G 16 -0.383 g(3F)2G 20 22 592702.407 1.130 -0.814 g(3F)2F 22 -0.359 g(3F)4G 16 0.269 g(3F)4D 18 23 594954.120 1.140 0.889 g(1D)2F 24 0.397 g(1G)2F 23 0.146 g(3F)2F 22 24 595608.170 1.427 0.954 g(3P)4D 19 -0.274 g(3F)4D 18 -0.083 h(3P)4D 25 25 596547.506 1.074 0.723 g(1G)2F 23 -0.521 g(1G)2G 21 -0.418 g(1D)2F 24 26 598470.823 0.963 0.842 g(1G)2G 21 0.519 g(1G)2F 23 -0.119 g(1D)2F 24 26 VECTORS WRITTEN TO UNIT 3 12.01 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 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 109073.97 109074.000 0.0 0.909 6h 2H 1.000 O(1S)2H 1 2 112309.06 112309.100 0.0 0.909 7h 2H 1.000 P(1S)2H 2 3 114408.74 114408.700 0.0 0.909 8h 2H -1.000 Q(1S)2H 3 4 115848.28 115848.300 0.0 0.909 9h 2H -1.000 R(1S)2H 4 5 116878.04 116878.000 0.0 0.909 10h 2H 1.000 S(1S)2H 5 6 117639.88 R 117639.900 0.0 0.909 11h 2H 1.000 T(1S)2H 6 7 118219.33 R 118219.300 0.0 0.909 12h 2H 1.000 U(1S)2H 7 8 118670.27 R 118670.300 0.0 0.909 13h 2H -1.000 V(1S)2H 8 9 119028.07 R 119028.100 0.0 0.909 14h 2H -1.000 W(1S)2H 9 10 489383. 489460.962 78.0 1.334 3s3P3d 4F 1.000 f(3P)4F 10 11 590249.664 1.173 -0.889 g(3F)4G 11 -0.383 g(3F)2G 14 0.251 g(3F)4F 12 12 590663.387 1.254 0.801 g(3F)4F 12 0.598 g(3F)2G 14 -0.032 g(3F)4G 11 13 592459.215 1.190 0.704 g(3F)2G 14 -0.544 g(3F)4F 12 -0.456 g(3F)4G 11 14 596082.519 0.959 -0.868 g(1G)2H 13 0.496 g(1G)2G 15 15 598079.509 1.062 -0.868 g(1G)2G 15 -0.496 g(1G)2H 13 15 VECTORS WRITTEN TO UNIT 3 12.01 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 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 109073.97 109074.000 0.0 1.091 6h 2H 1.000 O(1S)2H 1 2 112309.06 112309.100 0.0 1.091 7h 2H 1.000 P(1S)2H 2 3 114408.74 114408.700 0.0 1.091 8h 2H -1.000 Q(1S)2H 3 4 115848.28 115848.300 0.0 1.091 9h 2H -1.000 R(1S)2H 4 5 116878.04 116878.000 0.0 1.091 10h 2H -1.000 S(1S)2H 5 6 117639.88 R 117639.900 0.0 1.091 11h 2H -1.000 T(1S)2H 6 7 118219.33 R 118219.300 0.0 1.091 12h 2H -1.000 U(1S)2H 7 8 118670.27 R 118670.300 0.0 1.091 13h 2H 1.000 V(1S)2H 8 9 119028.07 R 119028.100 0.0 1.091 14h 2H -1.000 W(1S)2H 9 10 590117.094 1.273 1.000 g(3F)4G 10 11 595147.122 1.091 -1.000 g(1G)2H 11 11 VECTORS WRITTEN TO UNIT 3 12.01 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 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 114409.16 R 114409.200 0.0 0.933 8k 2K 1.000 X(1S)2K 1 2 115848.64 R 115848.600 0.0 0.933 9k 2K 1.000 Y(1S)2K 2 3 116878.18 R 116878.200 0.0 0.933 10k 2K 1.000 Z(1S)2K 3 4 117639.99 R 117640.000 0.0 0.933 11k 2K 1.000 a(1S)2K 4 5 118219.30 R 118219.300 0.0 0.933 12k 2K 1.000 b(1S)2K 5 6 118670.32 R 118670.300 0.0 0.933 13k 2K 1.000 c(1S)2K 6 7 119028.10 R 119028.100 0.0 0.933 14k 2K 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 12.01 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 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 114409.16 R 114409.200 0.0 1.067 8k 2K 1.000 X(1S)2K 1 2 115848.64 R 115848.600 0.0 1.067 9k 2K 1.000 Y(1S)2K 2 3 116878.18 R 116878.200 0.0 1.067 10k 2K 1.000 Z(1S)2K 3 4 117639.99 R 117640.000 0.0 1.067 11k 2K 1.000 a(1S)2K 4 5 118219.30 R 118219.300 0.0 1.067 12k 2K 1.000 b(1S)2K 5 6 118670.32 R 118670.300 0.0 1.067 13k 2K 1.000 c(1S)2K 6 7 119028.10 R 119028.100 0.0 1.067 14k 2K 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 31-JAN-2013 13:02:13.17 Accounting information: Buffered I/O count: 154 Peak working set size: 9424 Direct I/O count: 271 Peak virtual size: 322592 Page faults: 2068 Mounted volumes: 0 Charged CPU time: 0 00:00:00.27 Elapsed time: 0 00:00:02.59