$ 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 1403 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN B1403O.PUN FOR007 $ASSIGN C1403O.EIG FOR003 $ASSIGN H1403O.HAM FOR001 $ASSIGN EAV1403O.DAT FOR066 $ASSIGN POOLG:B1403O15 FOR015 $ASSIGN POOLG:B1403O16 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 2 3 Brilly, J., Kennedy, E.T., and Mosnier, J.P. 1990. Physica Scripta 41, 30-34. 4 Mosnier, J.P., Brilly, J., and Kennedy, E.T. 1988. J. de Physique Colloque C9 219-222. 5 Martin, W.C. and Zalubas, R. 1983. J. Phys. Chem. Ref. Data 9, 1-58. 6 Toresson, Y. 1960. Ark. Fys. 17, 179-192. 7 8 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 23 28 23 17 10 9 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14.03 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 71287.54 3p 2P 3p 2P 0 0.5 218266.86 4p 2P 4p 2P 0 0.5 276503.67 5p 2P 5p 2P 0 0.5 305641.10 6p 2P 6p 2P 0 0.5 322312.93 7p 2P 7p 2P 0 0.5 332743.87 8p 2P 8p 2P 0 0.5 339703.18 R 9p 2P 9p 2P 0 0.5 344577.36 R 10p 2P 10p 2P 0 0.5 348123.60 R 11p 2P 11p 2P 0 0.5 350784.04 R 12p 2P 12p 2P 0 0.5 352830.95 R 13p 2P 13p 2P 0 0.5 354439.48 R 14p 2P 14p 2P 1 0.5 2p5.3s2 2P 3s2 2P 0 0.5 934000. 2p5.3p2(1D) 2P 3p2(1D) 2P 1 0.5 2p5.3p2(3P) 4P 3p2(3P) 4P 1 0.5 2p5.3p2(1D) 4D 3p2(1D) 4D 1 0.5 2p5.3p2(3P) 2S 3p2(3P) 2S 1 0.5 2p5.3s(3P)3d 4P 3s3P3d 4P 1 0.5 2p5.3s(3P)3d 4D 3s3P3d 4D 1 0.5 2p5.3p2(3P) 2P 3p2(3P) 2P 1 0.5 2p5.3s(1P)3d 2P 3s1P3d 2P 1 0.5 2p5.3p2(1S) 2P 3p2(1S) 2P 1 0.5 2p5.3p2(3P) 2P 3p2(3P) 2P 0 1.5 71748.64 3p 2P 3p 2P 0 1.5 218428.67 4p 2P 4p 2P 0 1.5 276579.03 5p 2P 5p 2P 0 1.5 305682.27 6p 2P 6p 2P 0 1.5 322337.83 7p 2P 7p 2P 0 1.5 332759.92 8p 2P 8p 2P 0 1.5 339714.22 R 9p 2P 9p 2P 0 1.5 344585.25 R 10p 2P 10p 2P 0 1.5 348129.44 R 11p 2P 11p 2P 0 1.5 350788.48 R 12p 2P 12p 2P 0 1.5 352834.40 R 13p 2P 13p 2P 0 1.5 354442.22 R 14p 2P 14p 2P 1 1.5 2p5.3s2 2P 2p5 3s2 2P 0 1.5 935800. 2p5.3p2(1D) 2P 3p2(1D) 2P 1 1.5 2p5.3p2(3P) 4P 3p2(3P) 4P 1 1.5 2p5.3p2(1D) 2D 3p2(1D) 2D 1 1.5 2p5.3p2(3P) 4D 3p2(3P) 4D 1 1.5 2p5.3p2(3P) 2D 3p2(3P) 2D 1 1.5 2p5.3p2(3P) 4S 3p2(3P) 4S 1 1.5 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) 2P 3p2(3P) 2P 0 1.5 983400. 2p5.3s(1P)3d 2D 3s1P3d 2D 1 1.5 2p5.3s(1P)3d 2P 3s1P3d 2P 1 1.5 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 2.5 254127.08 4f 2F 4f 2F 0 2.5 293718.99 5f 2F 5f 2F 0 2.5 315230.27 6f 2F 6f 2F 0 2.5 328200.04 7f 2F 7f 2F 0 2.5 336616.55 8f 2F 8f 2F 0 2.5 342386.04 R 9f 2F 9f 2F 0 2.5 346512.37 R 10f 2F 10f 2F 0 2.5 349565.00 R 11f 2F 11f 2F 0 2.5 351886.51 R 12f 2F 12f 2F 0 2.5 353693.01 R 13f 2F 13f 2F 0 2.5 355126.28 R 14f 2F 14f 2F 1 2.5 2p5.3p2(1D) 2F 3p2(1D) 2F 1 2.5 2p5.3p2(3P) 4P 3p2(3P) 4P 1 2.5 2p5.3p2(3P) 2D 3p2(3P) 2D 1 2.5 2p5.3p2(3P) 4D 3p2(3P) 4D 1 2.5 2p5.3p2(3P) 2D 3p2(3P) 2D 1 2.5 2p5.3s(3P)3d 4P 3s3P3d 4P 1 2.5 2p5.3s(3P)3d 4F 3s3P3d 4F 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 3.5 254129.03 4f 2F 4f 2F 0 3.5 293718.99 5f 2F 5f 2F 0 3.5 315230.27 6f 2F 6f 2F 0 3.5 328200.04 7f 2F 7f 2F 0 3.5 336616.55 8f 2F 8f 2F 0 3.5 342386.04 R 9f 2F 9f 2F 0 3.5 346512.37 R 10f 2F 10f 2F 0 3.5 349565.00 R 11f 2F 11f 2F 0 3.5 351886.51 R 12f 2F 12f 2F 0 3.5 353693.01 R 13f 2F 13f 2F 0 3.5 355126.28 R 14f 2F 14f 2F 1 3.5 2p5.3p2(1D) 2F 3p2(1D) 2F 1 3.5 2p5.3p2(3P) 4D 3p2(3P) 4D 1 3.5 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 4.5 315317.36 6h 2H 6h 2H 0 4.5 328257.12 7h 2H 7h 2H 0 4.5 336656.04 R 8h 2H 8h 2H 0 4.5 342414.47 R 9h 2H 9h 2H 0 4.5 346533.48 R 10h 2H 10h 2H 0 4.5 349581.09 R 11h 2H 11h 2H 0 4.5 351899.05 R 12h 2H 12h 2H 0 4.5 353702.96 R 13h 2H 13h 2H 0 4.5 355134.30 R 14h 2H 14h 2H 1 4.5 2p5.3s(3P)3d 4F 3s3P3d 4F 0 5.5 315317.36 6h 2H 6h 2H 0 5.5 328257.12 7h 2H 7h 2H 0 5.5 336656.04 R 8h 2H 8h 2H 0 5.5 342414.47 R 9h 2H 9h 2H 0 5.5 346533.48 R 10h 2H 10h 2H 0 5.5 349581.09 R 11h 2H 11h 2H 0 5.5 351899.05 R 12h 2H 12h 2H 0 5.5 353702.96 R 13h 2H 13h 2H 0 5.5 355134.30 R 14h 2H 14h 2H 0 6.5 336658.82 P 8k 2K 8k 2K 0 6.5 342416.68 R 9k 2K 9k 2K 0 6.5 346535.22 R 10k 2K 10k 2K 0 6.5 349582.48 R 11k 2K 11k 2K 0 6.5 351900.16 R 12k 2K 12k 2K 0 6.5 353703.86 R 13k 2K 13k 2K 0 6.5 355135.04 R 14k 2K 14k 2K 0 7.5 336658.82 P 8k 2K 8k 2K 0 7.5 342416.68 R 9k 2K 9k 2K 0 7.5 346535.22 R 10k 2K 10k 2K 0 7.5 349582.48 R 11k 2K 11k 2K 0 7.5 351900.16 R 12k 2K 12k 2K 0 7.5 353703.86 R 13k 2K 13k 2K 0 7.5 355135.04 R 14k 2K 14k 2K 195 92.1 53 LEAST SQUARES 1 1 EAV 73662.9 65.0 71340.4 1.000 0 -2970.0 0 2p6 3p 2 1 ZETA 3 305.8 87.0 328.5 1.000 0 0.0 0 3 2 EAV 218428.9 65.0 220841.6 1.000 0 -2970.0 0 2p6 4p 4 2 ZETA 4 107.8 87.0 115.6 1.000 0 0.0 0 5 3 EAV 276577.9 65.0 279356.0 1.000 0 -2970.0 0 2p6 5p 6 3 ZETA 4 50.2 87.0 53.4 1.000 0 0.0 0 7 4 EAV 305681.4 65.0 308563.0 1.000 0 -2970.0 0 2p6 6p 8 4 ZETA 4 27.4 87.0 29.0 1.000 0 0.0 0 9 5 EAV 322337.2 65.0 325258.7 1.000 0 -2970.0 0 2p6 7p 10 5 ZETA 4 16.6 87.0 17.4 1.000 0 0.0 0 11 6 EAV 332759.5 65.0 335700.7 1.000 0 -2970.0 0 2p6 8p 12 6 ZETA 4 10.7 87.0 11.3 1.000 0 0.0 0 13 7 EAV 339713.9 65.0 342665.2 1.000 0 -2970.0 0 2p6 9p 14 7 ZETA 4 7.4 87.0 7.7 1.000 0 0.0 0 15 8 EAV 344585.0 65.0 347541.7 1.000 0 -2970.0 0 2p6 10p 16 8 ZETA 4 5.3 87.0 5.5 1.000 0 0.0 0 17 9 EAV 348129.3 65.0 351089.6 1.000 0 -2970.0 0 2p6 11p 18 9 ZETA 4 3.9 87.0 4.1 1.000 0 0.0 0 19 A EAV 350788.4 65.0 353752.3 1.000 0 -2970.0 0 2p6 12p 20 A ZETA 4 3.0 87.0 3.1 1.000 0 0.0 0 21 B EAV 352834.3 65.0 355799.4 1.000 0 -2970.0 0 2p6 13p 22 B ZETA 4 2.3 87.0 2.4 1.000 0 0.0 0 23 C EAV 354442.1 65.0 357408.5 1.000 0 -2970.0 0 2p6 14p 24 C ZETA 4 1.8 87.0 1.9 1.000 0 0.0 0 25 D EAV 254130.6 65.0 256797.5 1.000 0 -2970.0 0 2p6 4f 26 D ZETA 5 0.8 0.0 0.8 FIXEDHF 1.000 0 0.0 0 27 E EAV 293720.4 65.0 296518.8 1.000 0 -2970.0 0 2p6 5f 28 E ZETA 5 0.4 0.0 0.4 FIXEDHF 1.000 0 0.0 0 29 F EAV 315231.1 65.0 318102.0 1.000 0 -2970.0 0 2p6 6f 30 F ZETA 5 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 31 G EAV 328200.6 65.0 331109.0 1.000 0 -2970.0 0 2p6 7f 32 G ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 33 H EAV 336616.9 65.0 339546.7 1.000 0 -2970.0 0 2p6 8f 34 H ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 35 I EAV 342386.3 65.0 345329.1 1.000 0 -2970.0 0 2p6 9f 36 I ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 37 J EAV 346512.6 65.0 349463.9 1.000 0 -2970.0 0 2p6 10f 38 J ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 39 K EAV 349565.1 65.0 352520.5 1.000 0 -2970.0 0 2p6 11f 40 K ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 L EAV 351886.6 65.0 354845.9 1.000 0 -2970.0 0 2p6 12f 42 L ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 M EAV 353693.1 65.0 356655.1 1.000 0 -2970.0 0 2p6 13f 44 M ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 N EAV 355126.3 65.0 358091.6 1.000 0 -2970.0 0 2p6 14f 46 N ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 O EAV 315317.4 65.0 318289.5 1.000 0 -2970.0 0 2p6 6h 48 O ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 49 P EAV 328257.1 65.0 331228.7 1.000 0 -2970.0 0 2p6 7h 50 P ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 Q EAV 336656.0 65.0 339627.7 1.000 0 -2970.0 0 2p6 8h 52 Q ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 R EAV 342414.5 65.0 345385.8 1.000 0 -2970.0 0 2p6 9h 54 R ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 S EAV 346533.5 65.0 349504.4 1.000 0 -2970.0 0 2p6 10h 56 S ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 T EAV 349581.1 65.0 352551.8 1.000 0 -2970.0 0 2p6 11h 58 T ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 U EAV 351899.1 65.0 354870.7 1.000 0 -2970.0 0 2p6 12h 60 U ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 V EAV 353703.0 65.0 356674.2 1.000 0 -2970.0 0 2p6 13h 62 V ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 W EAV 355134.3 65.0 358106.1 1.000 0 -2970.0 0 2p6 14h 64 W ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 X EAV 336658.8 65.0 339629.7 1.000 0 -2970.0 0 2p6 8k 66 X ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 Y EAV 342416.7 65.0 345387.7 1.000 0 -2970.0 0 2p6 9k 68 Y ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 Z EAV 346535.2 65.0 349506.1 1.000 0 -2970.0 0 2p6 10k 70 Z ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 a EAV 349582.5 65.0 352553.8 1.000 0 -2970.0 0 2p6 11k 72 a ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 b EAV 351900.2 65.0 354871.1 1.000 0 -2970.0 0 2p6 12k 74 b ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 75 c EAV 353703.9 65.0 356674.2 1.000 0 -2970.0 0 2p6 13k 76 c ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 77 d EAV 355135.0 65.0 358105.9 1.000 0 -2970.0 0 2p6 14k 78 d ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 79 e EAV 807474.4 0.0 807474.4 FIXEDHF 1.000 0 0.0 0 2p5 3s2 80 e ZETA 1 3428.3 0.0 3428.3 FIXEDHF 1.000 0 0.0 0 81 f EAV 981732.9 92.0 976578.7 1.000 0 0.0 0 2p5 3s3d 82 f ZETA 1 3446.9 0.0 3446.9 FIXEDHF 1.000 0 0.0 0 83 f ZETA 8 10.1 0.0 10.1 FIXEDHF 1.000 0 0.0 0 84 f F2(18) 15408.2 0.0 19260.3 FIXEDHF 0.800 0 0.0 0 85 f G1(12) 10495.0 0.0 13118.7 FIXEDHF 0.800 0 0.0 0 86 f G1(18) 9328.1 0.0 11660.1 FIXEDHF 0.800 0 0.0 0 87 f G3(18) 5268.1 0.0 6585.1 FIXEDHF 0.800 0 0.0 0 88 f G2(28) 38249.7 0.0 47812.1 FIXEDHF 0.800 0 0.0 0 89 g EAV 951790.5 76.0 957027.9 1.000 0 0.0 0 2p5 3p2 90 g F2(33) 42320.6 0.0 52900.8 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 3425.3 0.0 3425.3 FIXEDHF 1.000 0 0.0 0 93 g ZETA 3 392.2 0.0 392.2 FIXEDHF 1.000 0 0.0 0 94 g F2(13) 21403.8 0.0 26754.7 FIXEDHF 0.800 0 0.0 0 95 g G0(13) 10337.8 0.0 12922.2 FIXEDHF 0.800 0 0.0 0 96 g G2(13) 9401.8 0.0 11752.3 FIXEDHF 0.800 0 0.0 0 97 1e 1D1322 -5370.2 0.0 -6712.7 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s2 98 1f 1D1328 -7891.6 0.0 -9864.5 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s3d 99 1f 1E1328 -16543.3 0.0 -20679.1 FIXEDHF 0.800 0 0.0 0 100 1g 0D1113 5652.5 0.0 7065.6 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3p2 101 1g 2D1113 24972.1 0.0 31215.1 FIXEDHF 0.800 0 0.0 0 102 1g 0D1333 298.2 0.0 372.8 FIXEDHF 0.800 0 0.0 0 103 1g 2D1333 -4461.4 0.0 -5576.8 FIXEDHF 0.800 0 0.0 0 104 2e 1D1422 -1250.7 0.0 -1563.4 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s2 105 2f 1D1428 -2144.2 0.0 -2680.2 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s3d 106 2f 1E1428 -6610.8 0.0 -8263.5 FIXEDHF 0.800 0 0.0 0 107 2g 0D1433 2195.8 0.0 2744.8 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3p2 108 2g 2D1433 -1192.5 0.0 -1490.6 FIXEDHF 0.800 0 0.0 0 109 3e 1D1422 -532.9 0.0 -666.1 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s2 110 3f 1D1428 -1202.4 0.0 -1503.0 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s3d 111 3f 1E1428 -3925.7 0.0 -4907.1 FIXEDHF 0.800 0 0.0 0 112 3g 0D1433 1478.8 0.0 1848.5 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3p2 113 3g 2D1433 -554.3 0.0 -692.9 FIXEDHF 0.800 0 0.0 0 114 4e 1D1422 -293.2 0.0 -366.5 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s2 115 4f 1D1428 -807.0 0.0 -1008.7 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s3d 116 4f 1E1428 -2707.4 0.0 -3384.3 FIXEDHF 0.800 0 0.0 0 117 4g 0D1433 1082.4 0.0 1353.0 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3p2 118 4g 2D1433 -325.8 0.0 -407.3 FIXEDHF 0.800 0 0.0 0 119 5e 1D1422 -186.8 0.0 -233.5 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s2 120 5f 1D1428 -594.1 0.0 -742.6 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s3d 121 5f 1E1428 -2024.3 0.0 -2530.4 FIXEDHF 0.800 0 0.0 0 122 5g 0D1433 836.6 0.0 1045.8 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3p2 123 5g 2D1433 -218.6 0.0 -273.3 FIXEDHF 0.800 0 0.0 0 124 6e 1D1422 -130.8 0.0 -163.5 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s2 125 6f 1D1428 -462.9 0.0 -578.6 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s3d 126 6f 1E1428 -1592.6 0.0 -1990.7 FIXEDHF 0.800 0 0.0 0 127 6g 0D1433 671.9 0.0 839.9 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3p2 128 6g 2D1433 -159.4 0.0 -199.2 FIXEDHF 0.800 0 0.0 0 129 7e 1D1422 -97.7 0.0 -122.1 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s2 130 7f 1D1428 -374.7 0.0 -468.4 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s3d 131 7f 1E1428 -1297.7 0.0 -1622.1 FIXEDHF 0.800 0 0.0 0 132 7g 0D1433 555.1 0.0 693.9 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3p2 133 7g 2D1433 -122.8 0.0 -153.5 FIXEDHF 0.800 0 0.0 0 134 8e 1D1422 -76.3 0.0 -95.4 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s2 135 8f 1D1428 -311.8 0.0 -389.8 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s3d 136 8f 1E1428 -1085.1 0.0 -1356.4 FIXEDHF 0.800 0 0.0 0 137 8g 0D1433 468.6 0.0 585.8 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3p2 138 8g 2D1433 -98.6 0.0 -123.2 FIXEDHF 0.800 0 0.0 0 139 9e 1D1422 -61.8 0.0 -77.2 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s2 140 9f 1D1428 -265.1 0.0 -331.4 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s3d 141 9f 1E1428 -925.6 0.0 -1157.0 FIXEDHF 0.800 0 0.0 0 142 9g 0D1433 402.6 0.0 503.2 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3p2 143 9g 2D1433 -81.4 0.0 -101.8 FIXEDHF 0.800 0 0.0 0 144 Ae 1D1422 -51.4 0.0 -64.2 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s2 145 Af 1D1428 -229.1 0.0 -286.4 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s3d 146 Af 1E1428 -802.1 0.0 -1002.6 FIXEDHF 0.800 0 0.0 0 147 Ag 0D1433 350.7 0.0 438.4 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3p2 148 Ag 2D1433 -68.8 0.0 -86.0 FIXEDHF 0.800 0 0.0 0 149 Be 1D1422 -43.6 0.0 -54.5 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s2 150 Bf 1D1428 -200.7 0.0 -250.9 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s3d 151 Bf 1E1428 -704.1 0.0 -880.1 FIXEDHF 0.800 0 0.0 0 152 Bg 0D1433 309.1 0.0 386.4 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3p2 153 Bg 2D1433 -59.2 0.0 -74.0 FIXEDHF 0.800 0 0.0 0 154 Ce 1D1422 -37.6 0.0 -47.0 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s2 155 Cf 1D1428 -177.8 0.0 -222.2 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s3d 156 Cf 1E1428 -624.6 0.0 -780.8 FIXEDHF 0.800 0 0.0 0 157 Cg 0D1433 275.2 0.0 344.0 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3p2 158 Cg 2D1433 -51.7 0.0 -64.6 FIXEDHF 0.800 0 0.0 0 159 Df 1D1528 2581.5 0.0 3226.9 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3s3d 160 Df 3E1528 1510.7 0.0 1888.4 FIXEDHF 0.800 0 0.0 0 161 Dg 2D1533 1850.7 0.0 2313.4 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3p2 162 Ef 1D1528 1883.4 0.0 2354.3 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3s3d 163 Ef 3E1528 1275.6 0.0 1594.5 FIXEDHF 0.800 0 0.0 0 164 Eg 2D1533 1489.8 0.0 1862.2 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3p2 165 Ff 1D1528 1427.8 0.0 1784.8 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3s3d 166 Ff 3E1528 1035.4 0.0 1294.3 FIXEDHF 0.800 0 0.0 0 167 Fg 2D1533 1180.9 0.0 1476.1 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3p2 168 Gf 1D1528 1127.7 0.0 1409.6 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3s3d 169 Gf 3E1528 849.8 0.0 1062.3 FIXEDHF 0.800 0 0.0 0 170 Gg 2D1533 955.8 0.0 1194.8 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3p2 171 Hf 1D1528 919.4 0.0 1149.2 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3s3d 172 Hf 3E1528 709.8 0.0 887.2 FIXEDHF 0.800 0 0.0 0 173 Hg 2D1533 791.2 0.0 989.0 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3p2 174 If 1D1528 768.2 0.0 960.2 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3s3d 175 If 3E1528 602.7 0.0 753.4 FIXEDHF 0.800 0 0.0 0 176 Ig 2D1533 667.9 0.0 834.9 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3p2 177 Jf 1D1528 654.4 0.0 818.0 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3s3d 178 Jf 3E1528 519.4 0.0 649.2 FIXEDHF 0.800 0 0.0 0 179 Jg 2D1533 573.1 0.0 716.4 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3p2 180 Kf 1D1528 566.2 0.0 707.8 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3s3d 181 Kf 3E1528 453.3 0.0 566.6 FIXEDHF 0.800 0 0.0 0 182 Kg 2D1533 498.6 0.0 623.2 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3p2 183 Lf 1D1528 496.3 0.0 620.4 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3s3d 184 Lf 3E1528 399.8 0.0 499.8 FIXEDHF 0.800 0 0.0 0 185 Lg 2D1533 438.7 0.0 548.4 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3p2 186 Mf 1D1528 439.8 0.0 549.7 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3s3d 187 Mf 3E1528 356.1 0.0 445.1 FIXEDHF 0.800 0 0.0 0 188 Mg 2D1533 389.9 0.0 487.4 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3p2 189 Nf 1D1528 393.2 0.0 491.5 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3s3d 190 Nf 3E1528 319.6 0.0 399.5 FIXEDHF 0.800 0 0.0 0 191 Ng 2D1533 349.5 0.0 436.9 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3p2 192 ef 2D1218 9433.1 0.0 11791.4 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3s3d 193 ef 1E1218 -2300.7 0.0 -2875.9 FIXEDHF 0.800 0 0.0 0 194 eg 1D2233 57624.4 0.0 72030.5 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3p2 195 fg 1D2833 52327.4 0.0 65409.2 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3p2 14.03 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 71287.54 71287.560 0.0 0.666 3p 2P 0.999 1(2P)2P 1 0.037 g(3P)2P 20 2 218266.86 218266.832 0.0 0.666 4p 2P -1.000 2(2P)2P 2 3 276503.67 276503.695 0.0 0.666 5p 2P 1.000 3(2P)2P 3 4 305641.10 305641.177 0.1 0.666 6p 2P 1.000 4(2P)2P 4 5 322312.93 322312.932 0.0 0.666 7p 2P 1.000 5(2P)2P 5 6 332743.87 332743.848 0.0 0.666 8p 2P -1.000 6(2P)2P 6 7 339703.18 R 339703.116 -0.1 0.666 9p 2P 1.000 7(2P)2P 7 8 344577.36 R 344577.286 -0.1 0.666 10p 2P 1.000 8(2P)2P 8 9 348123.60 R 348123.618 0.0 0.666 11p 2P 1.000 9(2P)2P 9 10 350784.04 R 350784.047 0.0 0.666 12p 2P -1.000 A(2P)2P 10 11 352830.95 R 352830.948 0.0 0.666 13p 2P -1.000 B(2P)2P 11 12 354439.48 R 354439.467 0.0 0.666 14p 2P 1.000 C(2P)2P 12 13 804318.365 0.666 3s2 2P -0.981 e(2P)2P 13 -0.191 g(1S)2P 22 14 934000. 934347.299 347.3 0.694 3p2(1D) 2P -0.766 g(1D)2P 21 0.501 g(3P)2P 20 0.307 f(3P)2P 17 15 938598.301 2.590 3p2(3P) 4P -0.971 g(3P)4P 19 0.175 g(3P)2S 23 -0.112 g(1D)2P 21 16 945207.046 0.032 3p2(1D) 4D 0.990 g(3P)4D 18 0.098 g(3P)4P 19 -0.075 g(1D)2P 21 17 950947.512 2.021 3p2(3P) 2S -0.983 g(3P)2S 23 -0.178 g(3P)4P 19 18 970673.021 2.646 3s3P3d 4P 0.995 f(3P)4P 15 -0.090 f(3P)4D 14 -0.035 f(1P)2P 16 19 973347.007 0.666 3s3P3d 4D -0.621 g(1S)2P 22 0.600 g(3P)2P 20 -0.319 f(3P)2P 17 20 978616.310 0.066 3p2(3P) 2P 0.957 f(3P)4D 14 -0.238 f(1P)2P 16 -0.135 f(3P)2P 17 J 0.5 21 986933.491 0.637 3s1P3d 2P 0.735 f(1P)2P 16 0.538 g(1S)2P 22 0.310 g(3P)2P 20 22 989456.770 0.651 3p2(1S) 2P -0.566 f(3P)2P 17 0.522 g(1S)2P 22 -0.439 f(1P)2P 16 23 1011560.851 0.666 3p2(3P) 2P 0.670 f(3P)2P 17 0.569 g(1D)2P 21 0.351 g(3P)2P 20 23 VECTORS WRITTEN TO UNIT 3 14.03 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 71748.64 71748.683 0.0 1.334 3p 2P 0.999 1(2P)2P 1 0.037 g(3P)2P 26 2 218428.67 218428.617 -0.1 1.334 4p 2P -1.000 2(2P)2P 2 3 276579.03 276579.040 0.0 1.334 5p 2P 1.000 3(2P)2P 3 4 305682.27 305682.303 0.0 1.334 6p 2P -1.000 4(2P)2P 4 5 322337.83 322337.848 0.0 1.334 7p 2P -1.000 5(2P)2P 5 6 332759.92 332759.908 0.0 1.334 8p 2P 1.000 6(2P)2P 6 7 339714.22 R 339714.223 0.0 1.334 9p 2P 1.000 7(2P)2P 7 8 344585.25 R 344585.241 0.0 1.334 10p 2P -1.000 8(2P)2P 8 9 348129.44 R 348129.471 0.0 1.334 11p 2P -1.000 9(2P)2P 9 10 350788.48 R 350788.550 0.1 1.334 12p 2P 1.000 A(2P)2P 10 11 352834.40 R 352834.401 0.0 1.334 13p 2P -1.000 B(2P)2P 11 12 354442.22 R 354442.169 -0.1 1.334 14p 2P 1.000 C(2P)2P 12 13 799179.970 1.334 2p5 3s2 2P -0.981 e(2P)2P 13 -0.191 g(1S)2P 28 14 935800. 935458.523 -341.5 1.347 3p2(1D) 2P -0.700 g(1D)2P 27 0.479 g(3P)2P 26 0.322 g(3P)4P 22 15 937905.470 1.679 3p2(3P) 4P -0.916 g(3P)4P 22 -0.249 g(1D)2P 27 0.166 g(3P)4S 23 16 943270.603 1.054 3p2(1D) 2D 0.758 g(3P)4D 21 0.538 g(3P)2D 24 0.294 g(1D)2D 25 17 945433.381 0.934 3p2(3P) 4D -0.715 g(1D)2D 25 0.499 g(3P)4D 21 0.342 f(3P)2D 18 18 948531.036 0.878 3p2(3P) 2D 0.817 g(3P)2D 24 -0.373 g(3P)4D 21 -0.359 g(1D)2D 25 19 950941.883 1.978 3p2(3P) 4S 0.977 g(3P)4S 23 0.165 g(3P)4P 22 0.075 g(1D)2P 27 20 971226.544 1.638 3s3P3d 4P -0.877 f(3P)4P 16 -0.342 g(1S)2P 28 0.207 g(3P)2P 26 J 1.5 21 971337.649 1.409 3s3P3d 4F -0.692 g(1S)2P 28 0.438 f(3P)4P 16 0.405 g(3P)2P 26 22 975820.879 0.514 3s3P3d 4D 0.908 f(3P)4F 14 -0.319 f(3P)4D 15 -0.222 f(1P)2D 17 23 979117.096 1.137 3p2(3P) 2P 0.899 f(3P)4D 15 0.322 f(3P)4F 14 -0.225 f(1P)2P 19 24 983400. 983394.173 -5.8 0.829 3s1P3d 2D -0.747 f(1P)2D 17 -0.509 f(3P)2D 18 -0.290 f(1P)2P 19 25 985887.639 1.285 3s1P3d 2P -0.680 f(1P)2P 19 -0.447 g(1S)2P 28 -0.442 g(3P)2P 26 26 988557.549 1.323 3p2(1S) 2P -0.607 f(3P)2P 20 -0.465 f(1P)2P 19 0.447 g(3P)2P 26 27 1009666.277 0.921 3p2(1D) 2D 0.627 f(3P)2D 18 -0.464 f(1P)2D 17 0.405 g(1D)2D 25 28 1015263.446 1.214 3p2(1D) 2P -0.599 f(3P)2P 20 -0.499 g(1D)2P 27 -0.340 f(3P)2D 18 28 VECTORS WRITTEN TO UNIT 3 14.03 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 254127.08 254126.634 -0.4 0.857 4f 2F 1.000 D(1S)2F 1 2 293718.99 293718.263 -0.7 0.857 5f 2F -1.000 E(1S)2F 2 3 315230.27 315229.905 -0.4 0.857 6f 2F 1.000 F(1S)2F 3 4 328200.04 328199.893 -0.1 0.857 7f 2F -1.000 G(1S)2F 4 5 336616.55 336616.358 -0.2 0.857 8f 2F 1.000 H(1S)2F 5 6 342386.04 R 342385.859 -0.2 0.857 9f 2F -1.000 I(1S)2F 6 7 346512.37 R 346512.224 -0.1 0.857 10f 2F 1.000 J(1S)2F 7 8 349565.00 R 349564.967 0.0 0.857 11f 2F -1.000 K(1S)2F 8 9 351886.51 R 351886.498 0.0 0.857 12f 2F -1.000 L(1S)2F 9 10 353693.01 R 353693.019 0.0 0.857 13f 2F 1.000 M(1S)2F 10 11 355126.28 R 355126.235 0.0 0.857 14f 2F 1.000 N(1S)2F 11 12 936587.261 1.591 3p2(1D) 2F 0.978 g(3P)4P 20 -0.194 g(3P)4D 19 0.069 g(3P)2D 22 13 939958.426 0.949 3p2(3P) 4P 0.763 g(1D)2F 21 -0.446 g(1D)2D 23 -0.348 f(3P)2F 16 14 942435.174 1.340 3p2(3P) 2D -0.897 g(3P)4D 19 -0.381 g(3P)2D 22 -0.150 g(3P)4P 20 15 944690.582 1.129 3p2(3P) 4D -0.728 g(1D)2D 23 -0.433 g(1D)2F 21 0.348 f(3P)2D 18 16 950057.698 1.223 3p2(3P) 2D 0.900 g(3P)2D 22 -0.326 g(3P)4D 19 -0.211 g(1D)2D 23 17 972329.166 1.575 3s3P3d 4P -0.951 f(3P)4P 14 0.271 f(3P)4D 13 -0.113 f(1P)2D 17 18 974717.771 1.055 3s3P3d 4F 0.917 f(3P)4F 12 -0.267 f(3P)4D 13 0.192 f(1P)2F 15 19 978434.336 1.210 3s3P3d 4D -0.775 f(3P)4D 13 -0.461 f(1P)2F 15 -0.294 f(3P)2F 16 20 981320.270 1.023 3s1P3d 2F -0.652 f(1P)2F 15 0.494 f(3P)4D 13 -0.424 f(3P)2F 16 J 2.5 21 984394.045 1.195 3s1P3d 2D -0.774 f(1P)2D 17 -0.535 f(3P)2D 18 0.172 f(3P)4P 14 22 1006600.937 0.978 3p2(1D) 2F -0.588 f(3P)2F 16 0.416 f(3P)2D 18 0.411 f(1P)2F 15 23 1011045.451 1.079 3p2(1D) 2D -0.574 f(3P)2D 18 -0.440 f(3P)2F 16 0.422 f(1P)2D 17 23 VECTORS WRITTEN TO UNIT 3 14.03 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 254129.03 254129.429 0.4 1.143 4f 2F 1.000 D(1S)2F 1 2 293718.99 293719.660 0.7 1.143 5f 2F -1.000 E(1S)2F 2 3 315230.27 315230.602 0.3 1.143 6f 2F 1.000 F(1S)2F 3 4 328200.04 328200.241 0.2 1.143 7f 2F -1.000 G(1S)2F 4 5 336616.55 336616.707 0.2 1.143 8f 2F 1.000 H(1S)2F 5 6 342386.04 R 342386.208 0.2 1.143 9f 2F -1.000 I(1S)2F 6 7 346512.37 R 346512.573 0.2 1.143 10f 2F 1.000 J(1S)2F 7 8 349565.00 R 349564.967 0.0 1.143 11f 2F -1.000 K(1S)2F 8 9 351886.51 R 351886.497 0.0 1.143 12f 2F 1.000 L(1S)2F 9 10 353693.01 R 353693.019 0.0 1.143 13f 2F 1.000 M(1S)2F 10 11 355126.28 R 355126.235 0.0 1.143 14f 2F 1.000 N(1S)2F 11 12 937190.256 1.144 3p2(1D) 2F 0.889 g(1D)2F 17 -0.404 f(3P)2F 15 0.207 f(1P)2F 14 13 941366.521 1.429 3p2(3P) 4D 0.998 g(3P)4D 16 0.052 g(1D)2F 17 14 973666.076 1.247 3s3P3d 4F -0.950 f(3P)4F 12 0.249 f(3P)4D 13 -0.158 f(1P)2F 14 15 977322.190 1.376 3s3P3d 4D 0.897 f(3P)4D 13 0.346 f(1P)2F 14 0.226 f(3P)2F 15 16 982831.910 1.188 3s1P3d 2F -0.736 f(1P)2F 14 -0.499 f(3P)2F 15 0.364 f(3P)4D 13 17 1004190.461 1.143 3s3P3d 2F -0.725 f(3P)2F 15 0.520 f(1P)2F 14 -0.451 g(1D)2F 17 17 VECTORS WRITTEN TO UNIT 3 14.03 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 315317.36 315317.100 -0.3 0.909 6h 2H 1.000 O(1S)2H 1 2 328257.12 328257.100 0.0 0.909 7h 2H 1.000 P(1S)2H 2 3 336656.04 R 336656.000 0.0 0.909 8h 2H 1.000 Q(1S)2H 3 4 342414.47 R 342414.500 0.0 0.909 9h 2H 1.000 R(1S)2H 4 5 346533.48 R 346533.500 0.0 0.909 10h 2H 1.000 S(1S)2H 5 6 349581.09 R 349581.100 0.0 0.909 11h 2H 1.000 T(1S)2H 6 7 351899.05 R 351899.100 0.0 0.909 12h 2H 1.000 U(1S)2H 7 8 353702.96 R 353703.000 0.0 0.909 13h 2H 1.000 V(1S)2H 8 9 355134.30 R 355134.300 0.0 0.909 14h 2H 1.000 W(1S)2H 9 10 972717.304 1.334 3s3P3d 4F 1.000 f(3P)4F 10 10 VECTORS WRITTEN TO UNIT 3 14.03 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 315317.36 315317.650 0.3 1.091 6h 2H 1.000 O(1S)2H 1 2 328257.12 328257.100 0.0 1.091 7h 2H 1.000 P(1S)2H 2 3 336656.04 R 336656.000 0.0 1.091 8h 2H 1.000 Q(1S)2H 3 4 342414.47 R 342414.500 0.0 1.091 9h 2H 1.000 R(1S)2H 4 5 346533.48 R 346533.500 0.0 1.091 10h 2H 1.000 S(1S)2H 5 6 349581.09 R 349581.100 0.0 1.091 11h 2H 1.000 T(1S)2H 6 7 351899.05 R 351899.100 0.0 1.091 12h 2H 1.000 U(1S)2H 7 8 353702.96 R 353703.000 0.0 1.091 13h 2H 1.000 V(1S)2H 8 9 355134.30 R 355134.300 0.0 1.091 14h 2H 1.000 W(1S)2H 9 9 VECTORS WRITTEN TO UNIT 3 14.03 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 336658.82 P 336658.800 0.0 0.933 8k 2K 1.000 X(1S)2K 1 2 342416.68 R 342416.700 0.0 0.933 9k 2K 1.000 Y(1S)2K 2 3 346535.22 R 346535.200 0.0 0.933 10k 2K 1.000 Z(1S)2K 3 4 349582.48 R 349582.500 0.0 0.933 11k 2K 1.000 a(1S)2K 4 5 351900.16 R 351900.200 0.0 0.933 12k 2K 1.000 b(1S)2K 5 6 353703.86 R 353703.900 0.0 0.933 13k 2K 1.000 c(1S)2K 6 7 355135.04 R 355135.000 0.0 0.933 14k 2K 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 14.03 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 336658.82 P 336658.800 0.0 1.067 8k 2K 1.000 X(1S)2K 1 2 342416.68 R 342416.700 0.0 1.067 9k 2K 1.000 Y(1S)2K 2 3 346535.22 R 346535.200 0.0 1.067 10k 2K 1.000 Z(1S)2K 3 4 349582.48 R 349582.500 0.0 1.067 11k 2K 1.000 a(1S)2K 4 5 351900.16 R 351900.200 0.0 1.067 12k 2K 1.000 b(1S)2K 5 6 353703.86 R 353703.900 0.0 1.067 13k 2K 1.000 c(1S)2K 6 7 355135.04 R 355135.000 0.0 1.067 14k 2K 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 11-FEB-2013 17:05:24.49 Accounting information: Buffered I/O count: 154 Peak working set size: 9376 Direct I/O count: 234 Peak virtual size: 322592 Page faults: 2065 Mounted volumes: 0 Charged CPU time: 0 00:00:00.23 Elapsed time: 0 00:00:02.24