$ 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 1504 $SET VERIFY=NOIMAGE $ASSIGN B1504O.PUN FOR007 $ASSIGN H1504O.HAM FOR001 $ASSIGN B1504O.EIG FOR003 $ASSIGN EAV1504O.DAT FOR066 $ASSIGN POOLG:B1504O15 FOR015 $ASSIGN POOLG:B1504O16 FOR016 $RUN CRAY:LEAST3007 NPAR 195 NJ 8 FIRSTJ 0.5 1 p 6 s 0 p 1 p 0 f 0 h 0 k 0 d 0 2 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 3 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 4 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 5 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 6 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 7 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 8 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 9 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 A p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 B p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 C p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 D p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 E p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 F p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 G p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 H p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 I p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 J p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 K p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 L p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 M p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 N p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 O p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 P p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 Q p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 R p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 S p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 T p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 U p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 V p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 W p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 X p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 Y p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 Z p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 a p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 b p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 c p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 d p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 e p 5 s 2 p 0 p 0 f 0 h 0 k 0 d 0 f p 5 s 1 p 0 p 0 f 0 h 0 k 0 d 1 g p 5 s 0 p 2 p 0 f 0 h 0 k 0 d 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2P)2P 1 1.5 1(2P)2P 1 TOTAL 2 23 28 23 17 10 9 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 124 28 1 0 23 51 74 91 101 110 117 124 124 124 124 124 124 124 124 124 124 124 124 124 124 124 0 1 Magnusson, C.E. and Zetterberg, P.O. 1974. Physica Scripta 10, 177-182. 2 3 4 5 6 7 8 9 0 0 0 0 0.300 1.500 2 1.0 60 100 30 30 20 20 10 10 10 10 10 10 10 10 10 0 0 0 0 0 0 0 0 2 1.0 23 28 23 17 10 9 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15.04 2p6 3p 2p6 4p 2p6 5p 2p6 6p 2p6 7p 2p6 8p 2p6 9p 2p6 10p 2p6 11p 2p6 12p 2p6 13p 2p6 14p 2p6 4f 2p6 5f 2p6 6f 2p6 7f 2p6 8f 2p6 9f 2p6 10f 2p6 11f 2p6 12f 2p6 13f 2p6 14f 2p6 6h 2p6 7h 2p6 8h 2p6 9h 2p6 10h 2p6 11h 2p6 12h 2p6 13h 2p6 14h 2p6 8k 2p6 9k 2p6 10k 2p6 11k 2p6 12k 2p6 13k 2p6 14k 2p5 3s2 2p5 3s3d 2p5 3p2 SENORITY MIXING CORRECTIONS 0 0.5 88651.87 2p6.3p 2P 3p 2P 0 0.5 304160.87 2p6.4p 2P 4p 2P 0 0.5 391118.07 2p6.5p 2P 5p 2P 0 0.5 435048.96 2p6.6p 2P 6p 2P 0 0.5 460341.6 2p6.7p 2P 7p 2P 0 0.5 476234.4 2p6.8p 2P 8p 2P 0 0.5 486872.1 R 2p6.9p 2P 9p 2P 0 -1.0 0 1.5 89447.25 2p6.3p 2P 3p 2P 0 1.5 304445.28 2p6.4p 2P 4p 2P 0 1.5 391251.91 2p6.5p 2P 5p 2P 0 1.5 435122.44 2p6.6p 2P 6p 2P 0 1.5 460386.3 2p6.7p 2P 7p 2P 0 1.5 476263.9 2p6.8p 2P 8p 2P 0 1.5 486892.2 R 2p6.9p 2P 9p 2P 0 -1.0 0 2.5 352594.24 2p6.4f 2F 4f 2F 0 2.5 414467.73 2p6.5f 2F 5f 2F 0 2.5 448090.23 2p6.6f 2F 6f 2F 0 2.5 468363.51 2p6.7f 2F 7f 2F 0 2.5 481519.4 2p6.8f 2F 8f 2F 0 2.5 490537.6 2p6.9f 2F 9f 2F 0 2.5 496987.0 2p6.10f 2F 10f 2F 0 2.5 501758.5 2p6.11f 2F 11f 2F 0 2.5 505386.9 P 2p6.12f 2F 12f 2F 0 -1.0 0 3.5 352594.24 2p6.4f 2F 4f 2F 0 3.5 414467.73 2p6.5f 2F 5f 2F 0 3.5 448090.23 2p6.6f 2F 6f 2F 0 3.5 468363.51 2p6.7f 2F 7f 2F 0 3.5 481519.4 2p6.8f 2F 8f 2F 0 3.5 490537.6 2p6.9f 2F 9f 2F 0 3.5 496987.0 2p6.10f 2F 10f 2F 0 3.5 501758.5 2p6.11f 2F 11f 2F 0 3.5 505386.9 P 2p6.12f 2F 12f 2F 0 -1.0 0 4.5 448250.34 2p6.6h 2H 6h 2H 0 4.5 468469.52 2p6.7h 2H 7h 2H 0 4.5 481593.25 P 2p6.8h 2H 8h 2H 0 -1.0 0 5.5 448250.34 2p6.6h 2H 6h 2H 0 5.5 468469.52 2p6.7h 2H 7h 2H 0 5.5 481593.25 P 2p6.8h 2H 8h 2H 0 -1.0 0 6.5 481596.65 P 2p6.8k 2K 8k 2K 0 -1.0 0 7.5 481596.65 P 2p6.8k 2K 8k 2K 0 -1.0 195 1.5 26 LEAST SQUARES 1 1 EAV 91259.0 1.0 89054.5 1.000 0 -3100.0 0 2p6 3p 2 1 ZETA 3 528.5 1.0 560.6 1.000 0 0.0 0 3 2 EAV 304421.7 1.0 307039.2 1.000 0 -3100.0 0 2p6 4p 4 2 ZETA 4 189.5 1.0 199.7 1.000 0 0.0 0 5 3 EAV 391239.0 1.0 394190.3 1.000 0 -3100.0 0 2p6 5p 6 3 ZETA 4 89.2 1.0 93.0 1.000 0 0.0 0 7 4 EAV 435115.0 1.0 438150.1 1.000 0 -3100.0 0 2p6 6p 8 4 ZETA 4 49.0 1.0 50.7 1.000 0 0.0 0 9 5 EAV 460381.7 1.0 463446.8 1.000 0 -3100.0 0 2p6 7p 10 5 ZETA 4 29.8 1.0 30.7 1.000 0 0.0 0 11 6 EAV 476260.8 1.0 479339.5 1.000 0 -3100.0 0 2p6 8p 12 6 ZETA 4 19.7 1.0 19.9 1.000 0 0.0 0 13 7 EAV 486890.1 1.0 489976.1 1.000 0 -3100.0 0 2p6 9p 14 7 ZETA 4 13.4 1.0 13.7 1.000 0 0.0 0 15 8 EAV 494344.7 0.0 497444.7 FIXEDHF 1.000 0 -3100.0 0 2p6 10p 16 8 ZETA 4 9.8 0.0 9.8 FIXEDHF 1.000 0 0.0 0 17 9 EAV 499788.7 0.0 502888.7 FIXEDHF 1.000 0 -3100.0 0 2p6 11p 18 9 ZETA 4 7.3 0.0 7.3 FIXEDHF 1.000 0 0.0 0 19 A EAV 503878.5 0.0 506978.5 FIXEDHF 1.000 0 -3100.0 0 2p6 12p 20 A ZETA 4 5.5 0.0 5.5 FIXEDHF 1.000 0 0.0 0 21 B EAV 507031.3 0.0 510131.3 FIXEDHF 1.000 0 -3100.0 0 2p6 13p 22 B ZETA 4 4.3 0.0 4.3 FIXEDHF 1.000 0 0.0 0 23 C EAV 509510.3 0.0 512610.3 FIXEDHF 1.000 0 -3100.0 0 2p6 14p 24 C ZETA 4 3.4 0.0 3.4 FIXEDHF 1.000 0 0.0 0 25 D EAV 352597.8 1.0 355202.8 1.000 0 -3100.0 0 2p6 4f 26 D ZETA 5 1.6 0.0 1.6 FIXEDHF 1.000 0 0.0 0 27 E EAV 414469.7 1.0 417319.4 1.000 0 -3100.0 0 2p6 5f 28 E ZETA 5 0.8 0.0 0.8 FIXEDHF 1.000 0 0.0 0 29 F EAV 448091.4 1.0 451053.6 1.000 0 -3100.0 0 2p6 6f 30 F ZETA 5 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 31 G EAV 468364.3 1.0 471380.3 1.000 0 -3100.0 0 2p6 7f 32 G ZETA 5 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 33 H EAV 481519.9 1.0 484565.7 1.000 0 -3100.0 0 2p6 8f 34 H ZETA 5 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 35 I EAV 490537.9 1.0 493600.2 1.000 0 -3100.0 0 2p6 9f 36 I ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 37 J EAV 496987.3 1.0 500060.2 1.000 0 -3100.0 0 2p6 10f 38 J ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 39 K EAV 501758.7 1.0 504839.6 1.000 0 -3100.0 0 2p6 11f 40 K ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 41 L EAV 505387.1 1.0 508471.2 1.000 0 -3100.0 0 2p6 12f 42 L ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 43 M EAV 508198.3 0.0 511298.3 FIXEDHF 1.000 0 -3100.0 0 2p6 13f 44 M ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 45 N EAV 510441.3 0.0 513541.3 FIXEDHF 1.000 0 -3100.0 0 2p6 14f 46 N ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 O EAV 448250.4 1.0 451349.6 1.000 0 -3100.0 0 2p6 6h 48 O ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 49 P EAV 468467.6 0.0 471567.6 FIXEDHF 1.000 0 -3100.0 0 2p6 7h 50 P ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 51 Q EAV 481593.3 1.0 484690.5 1.000 0 -3100.0 0 2p6 8h 52 Q ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 53 R EAV 490588.3 0.0 493688.3 FIXEDHF 1.000 0 -3100.0 0 2p6 9h 54 R ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 55 S EAV 497024.6 0.0 500124.6 FIXEDHF 1.000 0 -3100.0 0 2p6 10h 56 S ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 T EAV 501786.6 0.0 504886.6 FIXEDHF 1.000 0 -3100.0 0 2p6 11h 58 T ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 U EAV 505407.4 0.0 508507.4 FIXEDHF 1.000 0 -3100.0 0 2p6 12h 60 U ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 V EAV 508227.4 0.0 511327.4 FIXEDHF 1.000 0 -3100.0 0 2p6 13h 62 V ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 W EAV 510463.9 0.0 513563.9 FIXEDHF 1.000 0 -3100.0 0 2p6 14h 64 W ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 X EAV 481596.7 1.0 484695.6 1.000 0 -3100.0 0 2p6 8k 66 X ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 Y EAV 490592.3 0.0 493692.3 FIXEDHF 1.000 0 -3100.0 0 2p6 9k 68 Y ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 Z EAV 497027.3 0.0 500127.3 FIXEDHF 1.000 0 -3100.0 0 2p6 10k 70 Z ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 a EAV 501788.5 0.0 504888.5 FIXEDHF 1.000 0 -3100.0 0 2p6 11k 72 a ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 b EAV 505410.8 0.0 508510.8 FIXEDHF 1.000 0 -3100.0 0 2p6 12k 74 b ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 75 c EAV 508229.2 0.0 511329.2 FIXEDHF 1.000 0 -3100.0 0 2p6 13k 76 c ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 77 d EAV 510464.5 0.0 513564.5 FIXEDHF 1.000 0 -3100.0 0 2p6 14k 78 d ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 79 e EAV 1053213.1 0.0 1056313.1 FIXEDHF 1.000 0 -3100.0 0 2p5 3s2 80 e ZETA 1 4886.1 0.0 4886.1 FIXEDHF 1.000 0 0.0 0 81 f EAV 1263121.5 0.0 1266221.5 FIXEDHF 1.000 0 -3100.0 0 2p5 3s3d 82 f ZETA 1 4910.1 0.0 4910.1 FIXEDHF 1.000 0 0.0 0 83 f ZETA 8 23.2 0.0 23.2 FIXEDHF 1.000 0 0.0 0 84 f F2(18) 22148.3 0.0 27685.4 FIXEDHF 0.800 0 0.0 0 85 f G1(12) 12374.9 0.0 15468.6 FIXEDHF 0.800 0 0.0 0 86 f G1(18) 14883.8 0.0 18604.8 FIXEDHF 0.800 0 0.0 0 87 f G3(18) 8435.7 0.0 10544.6 FIXEDHF 0.800 0 0.0 0 88 f G2(28) 46217.5 0.0 57771.9 FIXEDHF 0.800 0 0.0 0 89 g EAV 1235508.5 0.0 1238608.5 FIXEDHF 1.000 0 -3100.0 0 2p5 3p2 90 g F2(33) 49476.3 0.0 61845.4 FIXEDHF 0.800 0 0.0 0 91 g ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 92 g ZETA 1 4878.6 0.0 4878.6 FIXEDHF 1.000 0 0.0 0 93 g ZETA 3 643.8 0.0 643.8 FIXEDHF 1.000 0 0.0 0 94 g F2(13) 26457.7 0.0 33072.1 FIXEDHF 0.800 0 0.0 0 95 g G0(13) 12413.0 0.0 15516.3 FIXEDHF 0.800 0 0.0 0 96 g G2(13) 11644.3 0.0 14555.4 FIXEDHF 0.800 0 0.0 0 97 1e 1D1322 -5794.0 0.0 -7242.5 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s2 98 1f 1D1328 -9391.6 0.0 -11739.5 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s3d 99 1f 1E1328 -22664.6 0.0 -28330.8 FIXEDHF 0.800 0 0.0 0 100 1g 0D1113 6404.2 0.0 8005.3 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3p2 101 1g 2D1113 28576.3 0.0 35720.4 FIXEDHF 0.800 0 0.0 0 102 1g 0D1333 324.7 0.0 405.9 FIXEDHF 0.800 0 0.0 0 103 1g 2D1333 -5495.9 0.0 -6869.9 FIXEDHF 0.800 0 0.0 0 104 2e 1D1422 -960.2 0.0 -1200.2 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s2 105 2f 1D1428 -2576.7 0.0 -3220.9 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s3d 106 2f 1E1428 -8602.2 0.0 -10752.7 FIXEDHF 0.800 0 0.0 0 107 2g 0D1433 2829.3 0.0 3536.6 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3p2 108 2g 2D1433 -1279.6 0.0 -1599.5 FIXEDHF 0.800 0 0.0 0 109 3e 1D1422 -263.9 0.0 -329.9 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s2 110 3f 1D1428 -1425.1 0.0 -1781.4 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s3d 111 3f 1E1428 -5025.5 0.0 -6281.9 FIXEDHF 0.800 0 0.0 0 112 3g 0D1433 1913.6 0.0 2392.0 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3p2 113 3g 2D1433 -524.8 0.0 -656.0 FIXEDHF 0.800 0 0.0 0 114 4e 1D1422 -74.6 0.0 -93.2 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s2 115 4f 1D1428 -950.0 0.0 -1187.5 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s3d 116 4f 1E1428 -3441.3 0.0 -4301.6 FIXEDHF 0.800 0 0.0 0 117 4g 0D1433 1404.7 0.0 1755.9 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3p2 118 4g 2D1433 -276.2 0.0 -345.2 FIXEDHF 0.800 0 0.0 0 119 5e 1D1422 -9.0 0.0 -11.3 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s2 120 5f 1D1428 -696.9 0.0 -871.1 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s3d 121 5f 1E1428 -2563.9 0.0 -3204.9 FIXEDHF 0.800 0 0.0 0 122 5g 0D1433 1088.2 0.0 1360.2 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3p2 123 5g 2D1433 -168.6 0.0 -210.7 FIXEDHF 0.800 0 0.0 0 124 6e 1D1422 16.2 0.0 20.3 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s2 125 6f 1D1428 -541.8 0.0 -677.3 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s3d 126 6f 1E1428 -2013.3 0.0 -2516.6 FIXEDHF 0.800 0 0.0 0 127 6g 0D1433 875.4 0.0 1094.2 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3p2 128 6g 2D1433 -113.5 0.0 -141.9 FIXEDHF 0.800 0 0.0 0 129 7e 1D1422 26.1 0.0 32.6 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s2 130 7f 1D1428 -438.2 0.0 -547.7 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s3d 131 7f 1E1428 -1638.9 0.0 -2048.6 FIXEDHF 0.800 0 0.0 0 132 7g 0D1433 724.2 0.0 905.2 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3p2 133 7g 2D1433 -81.9 0.0 -102.4 FIXEDHF 0.800 0 0.0 0 134 8e 1D1422 29.4 0.0 36.8 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s2 135 8f 1D1428 -364.5 0.0 -455.6 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s3d 136 8f 1E1428 -1369.7 0.0 -1712.1 FIXEDHF 0.800 0 0.0 0 137 8g 0D1433 612.0 0.0 765.0 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3p2 138 8g 2D1433 -62.2 0.0 -77.8 FIXEDHF 0.800 0 0.0 0 139 9e 1D1422 29.8 0.0 37.3 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s2 140 9f 1D1428 -309.7 0.0 -387.1 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s3d 141 9f 1E1428 -1168.0 0.0 -1460.0 FIXEDHF 0.800 0 0.0 0 142 9g 0D1433 526.2 0.0 657.8 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3p2 143 9g 2D1433 -49.1 0.0 -61.4 FIXEDHF 0.800 0 0.0 0 144 Ae 1D1422 29.0 0.0 36.3 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s2 145 Af 1D1428 -267.7 0.0 -334.6 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s3d 146 Af 1E1428 -1012.0 0.0 -1265.0 FIXEDHF 0.800 0 0.0 0 147 Ag 0D1433 458.8 0.0 573.5 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3p2 148 Ag 2D1433 -40.0 0.0 -50.0 FIXEDHF 0.800 0 0.0 0 149 Be 1D1422 27.6 0.0 34.5 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s2 150 Bf 1D1428 -234.5 0.0 -293.1 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s3d 151 Bf 1E1428 -888.3 0.0 -1110.4 FIXEDHF 0.800 0 0.0 0 152 Bg 0D1433 404.6 0.0 505.8 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3p2 153 Bg 2D1433 -33.4 0.0 -41.7 FIXEDHF 0.800 0 0.0 0 154 Ce 1D1422 26.0 0.0 32.5 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s2 155 Cf 1D1428 -207.7 0.0 -259.6 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s3d 156 Cf 1E1428 -788.2 0.0 -985.3 FIXEDHF 0.800 0 0.0 0 157 Cg 0D1433 360.4 0.0 450.5 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3p2 158 Cg 2D1433 -28.3 0.0 -35.4 FIXEDHF 0.800 0 0.0 0 159 Df 1D1528 3327.5 0.0 4159.4 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3s3d 160 Df 3E1528 2507.5 0.0 3134.4 FIXEDHF 0.800 0 0.0 0 161 Dg 2D1533 2791.6 0.0 3489.5 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3p2 162 Ef 1D1528 2391.3 0.0 2989.1 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3s3d 163 Ef 3E1528 2074.9 0.0 2593.6 FIXEDHF 0.800 0 0.0 0 164 Eg 2D1533 2198.4 0.0 2748.0 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3p2 165 Ff 1D1528 1796.6 0.0 2245.7 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3s3d 166 Ff 3E1528 1665.4 0.0 2081.7 FIXEDHF 0.800 0 0.0 0 167 Fg 2D1533 1721.8 0.0 2152.3 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3p2 168 Gf 1D1528 1410.5 0.0 1763.1 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3s3d 169 Gf 3E1528 1357.1 0.0 1696.4 FIXEDHF 0.800 0 0.0 0 170 Gg 2D1533 1383.5 0.0 1729.4 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3p2 171 Hf 1D1528 1145.3 0.0 1431.6 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3s3d 172 Hf 3E1528 1128.0 0.0 1410.0 FIXEDHF 0.800 0 0.0 0 173 Hg 2D1533 1139.6 0.0 1424.5 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3p2 174 If 1D1528 954.2 0.0 1192.7 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3s3d 175 If 3E1528 954.6 0.0 1193.3 FIXEDHF 0.800 0 0.0 0 176 Ig 2D1533 958.6 0.0 1198.3 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3p2 177 Jf 1D1528 811.0 0.0 1013.8 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3s3d 178 Jf 3E1528 820.6 0.0 1025.7 FIXEDHF 0.800 0 0.0 0 179 Jg 2D1533 820.4 0.0 1025.5 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3p2 180 Kf 1D1528 700.6 0.0 875.8 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3s3d 181 Kf 3E1528 714.6 0.0 893.3 FIXEDHF 0.800 0 0.0 0 182 Kg 2D1533 712.2 0.0 890.3 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3p2 183 Lf 1D1528 613.3 0.0 766.6 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3s3d 184 Lf 3E1528 629.4 0.0 786.8 FIXEDHF 0.800 0 0.0 0 185 Lg 2D1533 625.8 0.0 782.3 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3p2 186 Mf 1D1528 542.8 0.0 678.5 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3s3d 187 Mf 3E1528 559.8 0.0 699.8 FIXEDHF 0.800 0 0.0 0 188 Mg 2D1533 555.5 0.0 694.4 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3p2 189 Nf 1D1528 484.9 0.0 606.1 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3s3d 190 Nf 3E1528 502.0 0.0 627.5 FIXEDHF 0.800 0 0.0 0 191 Ng 2D1533 497.4 0.0 621.8 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3p2 192 ef 2D1218 11191.0 0.0 13988.8 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3s3d 193 ef 1E1218 -3626.6 0.0 -4533.2 FIXEDHF 0.800 0 0.0 0 194 eg 1D2233 66802.2 0.0 83502.8 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3p2 195 fg 1D2833 61510.6 0.0 76888.3 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3p2 15.04 J 0.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 88651.87 88651.863 0.0 0.666 3p 2P 0.999 1(2P)2P 1 0.032 g(3P)2P 20 2 304160.87 304160.892 0.0 0.666 4p 2P -1.000 2(2P)2P 2 3 391118.07 391118.021 0.0 0.666 5p 2P 1.000 3(2P)2P 3 4 435048.96 435048.874 -0.1 0.666 6p 2P 1.000 4(2P)2P 4 5 460341.6 460341.585 0.0 0.666 7p 2P 1.000 5(2P)2P 5 6 476234.4 476234.402 0.0 0.666 8p 2P 1.000 6(2P)2P 6 7 486872.1 R 486872.103 0.0 0.666 9p 2P -1.000 7(2P)2P 7 8 494331.609 0.666 -1.000 8(2P)2P 8 9 499778.963 0.666 -1.000 9(2P)2P 9 10 503871.145 0.666 1.000 A(2P)2P 10 11 507025.556 0.666 -1.000 B(2P)2P 11 12 509505.754 0.666 -1.000 C(2P)2P 12 13 1050956.184 0.666 -0.984 e(2P)2P 13 -0.178 g(1S)2P 22 14 1213159.330 0.690 0.762 g(1D)2P 21 -0.483 g(3P)2P 20 -0.327 f(3P)2P 17 15 1219687.974 2.580 -0.966 g(3P)4P 19 0.199 g(3P)2S 23 0.107 g(3P)4D 18 16 1228179.022 0.042 -0.988 g(3P)4D 18 -0.108 g(3P)4P 19 0.074 g(1D)2P 21 17 1235063.297 2.025 -0.978 g(3P)2S 23 -0.203 g(3P)4P 19 -0.039 g(3P)4D 18 18 1248426.344 2.646 -0.995 f(3P)4P 15 0.090 f(3P)4D 14 0.034 f(1P)2P 16 19 1258916.444 0.478 -0.534 f(3P)4D 14 0.512 g(3P)2P 20 0.447 f(1P)2P 16 20 1260292.269 0.251 -0.798 f(3P)4D 14 -0.359 g(3P)2P 20 0.352 g(1S)2P 22 J 0.5 21 1272482.872 0.630 -0.802 f(1P)2P 16 -0.437 g(1S)2P 22 -0.276 f(3P)2P 17 22 1278508.011 0.662 0.672 g(1S)2P 22 -0.529 f(3P)2P 17 0.446 g(3P)2P 20 23 1302216.168 0.666 0.638 f(3P)2P 17 0.595 g(1D)2P 21 0.409 g(3P)2P 20 15.04 J 1.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 89447.25 89447.187 -0.1 1.334 3p 2P 0.999 1(2P)2P 1 0.032 g(3P)2P 26 2 304445.28 304445.267 0.0 1.334 4p 2P -1.000 2(2P)2P 2 3 391251.91 391251.889 0.0 1.334 5p 2P 1.000 3(2P)2P 3 4 435122.44 435122.414 0.0 1.334 6p 2P 1.000 4(2P)2P 4 5 460386.3 460386.311 0.0 1.334 7p 2P -1.000 5(2P)2P 5 6 476263.9 476263.968 0.1 1.334 8p 2P 1.000 6(2P)2P 6 7 486892.2 R 486892.215 0.0 1.334 9p 2P 1.000 7(2P)2P 7 8 494346.318 1.334 1.000 8(2P)2P 8 9 499789.919 1.334 -1.000 9(2P)2P 9 10 503879.400 1.334 -1.000 A(2P)2P 10 11 507032.010 1.334 1.000 B(2P)2P 11 12 509510.857 1.334 1.000 C(2P)2P 12 13 1043633.465 1.334 -0.984 e(2P)2P 13 -0.178 g(1S)2P 28 14 1214656.430 1.324 0.700 g(1D)2P 27 -0.466 g(3P)2P 26 -0.295 f(3P)2P 20 15 1218596.056 1.686 -0.923 g(3P)4P 22 -0.202 g(1D)2P 27 0.187 g(3P)4S 23 16 1225069.633 1.012 0.663 g(3P)4D 21 0.572 g(3P)2D 24 0.378 g(1D)2D 25 17 1227502.940 0.961 0.684 g(1D)2D 25 -0.546 g(3P)4D 21 -0.365 f(3P)2D 18 18 1231921.442 0.920 0.813 g(3P)2D 24 -0.461 g(3P)4D 21 -0.255 g(1D)2D 25 19 1235077.426 1.967 0.967 g(3P)4S 23 0.193 g(3P)4P 22 -0.085 g(3P)2D 24 20 1249250.472 1.713 0.980 f(3P)4P 16 -0.180 f(3P)4D 15 -0.056 f(1P)2P 19 J 1.5 21 1255701.740 0.520 0.900 f(3P)4F 14 -0.316 f(3P)4D 15 -0.246 f(1P)2D 17 22 1256934.021 1.328 0.745 g(1S)2P 28 -0.463 g(3P)2P 26 -0.302 f(1P)2P 19 23 1260572.796 1.143 -0.898 f(3P)4D 15 -0.312 f(3P)4F 14 0.196 f(1P)2P 19 24 1265646.371 0.800 0.765 f(1P)2D 17 0.505 f(3P)2D 18 0.296 f(3P)4F 14 25 1270708.067 1.299 -0.800 f(1P)2P 19 -0.376 g(1S)2P 28 -0.255 g(3P)2P 26 26 1277017.100 1.331 -0.612 f(3P)2P 20 0.545 g(3P)2P 26 0.482 g(1S)2P 28 27 1298673.820 0.896 0.637 f(3P)2D 18 -0.463 f(1P)2D 17 0.448 g(1D)2D 25 28 1307084.772 1.240 -0.591 f(3P)2P 20 -0.542 g(1D)2P 27 -0.343 g(3P)2P 26 15.04 J 2.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 352594.24 352591.433 -2.8 0.857 4f 2F 1.000 D(1S)2F 1 2 414467.73 414466.322 -1.4 0.857 5f 2F -1.000 E(1S)2F 2 3 448090.23 448089.347 -0.9 0.857 6f 2F 1.000 F(1S)2F 3 4 468363.51 468363.030 -0.5 0.857 7f 2F -1.000 G(1S)2F 4 5 481519.4 481519.049 -0.4 0.857 8f 2F 1.000 H(1S)2F 5 6 490537.6 490537.383 -0.2 0.857 9f 2F 1.000 I(1S)2F 6 7 496987.0 496986.868 -0.1 0.857 10f 2F -1.000 J(1S)2F 7 8 501758.5 501758.326 -0.2 0.857 11f 2F 1.000 K(1S)2F 8 9 505386.9 P 505386.766 -0.1 0.857 12f 2F -1.000 L(1S)2F 9 10 508197.994 0.857 -1.000 M(1S)2F 10 11 510441.215 0.857 1.000 N(1S)2F 11 12 1216913.200 1.587 -0.972 g(3P)4P 20 0.218 g(3P)4D 19 -0.068 g(3P)2D 22 13 1219801.811 0.967 0.720 g(1D)2F 21 -0.479 g(1D)2D 23 -0.362 f(3P)2F 16 14 1224184.473 1.333 0.871 g(3P)4D 19 0.420 g(3P)2D 22 0.165 g(3P)4P 20 15 1226223.762 1.114 -0.691 g(1D)2D 23 -0.465 g(1D)2F 21 0.366 f(3P)2D 18 16 1234265.399 1.230 0.895 g(3P)2D 22 -0.364 g(3P)4D 19 -0.159 g(1D)2D 23 17 1250784.761 1.575 -0.952 f(3P)4P 14 0.266 f(3P)4D 13 -0.123 f(1P)2D 17 18 1254135.340 1.051 0.911 f(3P)4F 12 -0.261 f(3P)4D 13 0.216 f(1P)2F 15 19 1259158.436 1.163 -0.717 f(3P)4D 13 -0.533 f(1P)2F 15 -0.328 f(3P)2F 16 20 1263100.429 1.075 -0.597 f(1P)2F 15 0.578 f(3P)4D 13 -0.375 f(3P)2F 16 J 2.5 21 1266977.439 1.196 -0.775 f(1P)2D 17 -0.520 f(3P)2D 18 0.185 f(3P)4P 14 22 1294050.769 0.983 -0.575 f(3P)2F 16 0.417 f(3P)2D 18 0.389 f(1P)2F 15 23 1300343.482 1.074 -0.558 f(3P)2D 18 -0.444 f(3P)2F 16 0.404 f(1P)2D 17 15.04 J 3.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 352594.24 352597.023 2.8 1.143 4f 2F 1.000 D(1S)2F 1 2 414467.73 414469.116 1.4 1.143 5f 2F -1.000 E(1S)2F 2 3 448090.23 448091.092 0.9 1.143 6f 2F -1.000 F(1S)2F 3 4 468363.51 468364.078 0.6 1.143 7f 2F -1.000 G(1S)2F 4 5 481519.4 481519.747 0.3 1.143 8f 2F -1.000 H(1S)2F 5 6 490537.6 490537.731 0.1 1.143 9f 2F -1.000 I(1S)2F 6 7 496987.0 496987.217 0.2 1.143 10f 2F 1.000 J(1S)2F 7 8 501758.5 501758.675 0.2 1.143 11f 2F -1.000 K(1S)2F 8 9 505386.9 P 505387.115 0.2 1.143 12f 2F -1.000 L(1S)2F 9 10 508198.344 1.143 1.000 M(1S)2F 10 11 510441.215 1.143 1.000 N(1S)2F 11 12 1216099.416 1.144 0.870 g(1D)2F 17 -0.435 f(3P)2F 15 0.224 f(1P)2F 14 13 1222844.655 1.429 -0.998 g(3P)4D 16 -0.050 g(1D)2F 17 14 1252691.338 1.245 -0.949 f(3P)4F 12 0.238 f(3P)4D 13 -0.176 f(1P)2F 14 15 1257808.422 1.368 0.883 f(3P)4D 13 0.383 f(1P)2F 14 0.242 f(3P)2F 15 16 1265082.326 1.198 -0.724 f(1P)2F 14 -0.474 f(3P)2F 15 0.405 f(3P)4D 13 17 1290680.396 1.143 -0.717 f(3P)2F 15 0.497 f(1P)2F 14 -0.488 g(1D)2F 17 15.04 J 4.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 448250.34 448249.800 -0.5 0.909 6h 2H 1.000 O(1S)2H 1 2 468469.52 468467.300 -2.2 0.909 7h 2H 1.000 P(1S)2H 2 3 481593.25 P 481593.000 -0.3 0.909 8h 2H 1.000 Q(1S)2H 3 4 490588.000 0.909 1.000 R(1S)2H 4 5 497024.600 0.909 1.000 S(1S)2H 5 6 501786.600 0.909 1.000 T(1S)2H 6 7 505407.400 0.909 1.000 U(1S)2H 7 8 508227.400 0.909 1.000 V(1S)2H 8 9 510463.900 0.909 1.000 W(1S)2H 9 10 1251386.014 1.334 1.000 f(3P)4F 10 15.04 J 5.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 448250.34 448250.900 0.6 1.091 6h 2H 1.000 O(1S)2H 1 2 468469.52 468467.850 -1.7 1.091 7h 2H 1.000 P(1S)2H 2 3 481593.25 P 481593.550 0.3 1.091 8h 2H 1.000 Q(1S)2H 3 4 490588.550 1.091 1.000 R(1S)2H 4 5 497024.600 1.091 1.000 S(1S)2H 5 6 501786.600 1.091 1.000 T(1S)2H 6 7 505407.400 1.091 1.000 U(1S)2H 7 8 508227.400 1.091 1.000 V(1S)2H 8 9 510463.900 1.091 1.000 W(1S)2H 9 15.04 J 6.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 481596.65 P 481596.700 0.0 0.933 8k 2K 1.000 X(1S)2K 1 2 490592.300 0.933 1.000 Y(1S)2K 2 3 497027.300 0.933 1.000 Z(1S)2K 3 4 501788.500 0.933 1.000 a(1S)2K 4 5 505410.800 0.933 1.000 b(1S)2K 5 6 508229.200 0.933 1.000 c(1S)2K 6 7 510464.500 0.933 1.000 d(1S)2K 7 15.04 J 7.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 481596.65 P 481596.700 0.0 1.067 8k 2K 1.000 X(1S)2K 1 2 490592.300 1.067 1.000 Y(1S)2K 2 3 497027.300 1.067 1.000 Z(1S)2K 3 4 501788.500 1.067 1.000 a(1S)2K 4 5 505410.800 1.067 1.000 b(1S)2K 5 6 508229.200 1.067 1.000 c(1S)2K 6 7 510464.500 1.067 1.000 d(1S)2K 7 15.04 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 2p6 3p 1 1 EAV 91259.0 1.0 0.0 91259.0 89054.5 0.000 1.000 0 -3100.0 0 2 1 ZETA 3 528.5 1.4 0.0 528.5 560.6 0.943 1.000 0 0.0 0 2p6 4p 3 2 EAV 304421.7 1.0 0.0 304421.7 307039.2 0.000 1.000 0 -3100.0 0 4 2 ZETA 4 189.5 1.4 0.0 189.5 199.7 0.949 1.000 0 0.0 0 2p6 5p 5 3 EAV 391239.0 1.0 0.0 391239.0 394190.3 0.000 1.000 0 -3100.0 0 6 3 ZETA 4 89.2 1.4 0.0 89.2 93.0 0.959 1.000 0 0.0 0 2p6 6p 7 4 EAV 435115.0 1.0 0.0 435115.0 438150.1 0.000 1.000 0 -3100.0 0 8 4 ZETA 4 49.0 1.4 0.0 49.0 50.7 0.966 1.000 0 0.0 0 2p6 7p 9 5 EAV 460381.7 1.0 0.0 460381.7 463446.8 0.000 1.000 0 -3100.0 0 10 5 ZETA 4 29.8 1.4 0.0 29.8 30.7 0.970 1.000 0 0.0 0 2p6 8p 11 6 EAV 476260.8 1.0 0.0 476260.8 479339.5 0.000 1.000 0 -3100.0 0 12 6 ZETA 4 19.7 1.4 0.0 19.7 19.9 0.988 1.000 0 0.0 0 2p6 9p 13 7 EAV 486890.1 1.0 0.0 486890.1 489976.1 0.000 1.000 0 -3100.0 0 14 7 ZETA 4 13.4 1.4 0.0 13.4 13.7 0.978 1.000 0 0.0 0 2p6 10p 15 8 EAV 494344.7 0.0 0.0 494344.7 497444.7 0.000 FIXEDHF 1.000 0 -3100.0 0 16 8 ZETA 4 9.8 0.0 0.0 9.8 9.8 1.000 FIXEDHF 1.000 0 0.0 0 2p6 11p 17 9 EAV 499788.7 0.0 0.0 499788.7 502888.7 0.000 FIXEDHF 1.000 0 -3100.0 0 18 9 ZETA 4 7.3 0.0 0.0 7.3 7.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 12p 19 A EAV 503878.5 0.0 0.0 503878.5 506978.5 0.000 FIXEDHF 1.000 0 -3100.0 0 20 A ZETA 4 5.5 0.0 0.0 5.5 5.5 1.000 FIXEDHF 1.000 0 0.0 0 2p6 13p 21 B EAV 507031.3 0.0 0.0 507031.3 510131.3 0.000 FIXEDHF 1.000 0 -3100.0 0 22 B ZETA 4 4.3 0.0 0.0 4.3 4.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 14p 23 C EAV 509510.3 0.0 0.0 509510.3 512610.3 0.000 FIXEDHF 1.000 0 -3100.0 0 24 C ZETA 4 3.4 0.0 0.0 3.4 3.4 1.000 FIXEDHF 1.000 0 0.0 0 2p6 4f 25 D EAV 352597.8 1.0 0.0 352597.8 355202.8 0.000 1.000 0 -3100.0 0 26 D ZETA 5 1.6 0.0 0.0 1.6 1.6 1.000 FIXEDHF 1.000 0 0.0 0 2p6 5f 27 E EAV 414469.7 1.0 0.0 414469.7 417319.4 0.000 1.000 0 -3100.0 0 28 E ZETA 5 0.8 0.0 0.0 0.8 0.8 1.000 FIXEDHF 1.000 0 0.0 0 2p6 6f 29 F EAV 448091.4 1.0 0.0 448091.4 451053.6 0.000 1.000 0 -3100.0 0 30 F ZETA 5 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.0 0 2p6 7f 31 G EAV 468364.3 1.0 0.0 468364.3 471380.3 0.000 1.000 0 -3100.0 0 32 G ZETA 5 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 8f 33 H EAV 481519.9 1.0 0.0 481519.9 484565.7 0.000 1.000 0 -3100.0 0 34 H ZETA 5 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9f 35 I EAV 490537.9 1.0 0.0 490537.9 493600.2 0.000 1.000 0 -3100.0 0 36 I ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 10f 37 J EAV 496987.3 1.0 0.0 496987.3 500060.2 0.000 1.000 0 -3100.0 0 38 J ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 11f 39 K EAV 501758.7 1.0 0.0 501758.7 504839.6 0.000 1.000 0 -3100.0 0 40 K ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 12f 41 L EAV 505387.1 1.0 0.0 505387.1 508471.2 0.000 1.000 0 -3100.0 0 42 L ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 13f 43 M EAV 508198.3 0.0 0.0 508198.3 511298.3 0.000 FIXEDHF 1.000 0 -3100.0 0 44 M ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 14f 45 N EAV 510441.3 0.0 0.0 510441.3 513541.3 0.000 FIXEDHF 1.000 0 -3100.0 0 46 N ZETA 5 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 6h 47 O EAV 448250.4 1.0 0.0 448250.4 451349.6 0.000 1.000 0 -3100.0 0 48 O ZETA 6 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 7h 49 P EAV 468467.6 0.0 0.0 468467.6 471567.6 0.000 FIXEDHF 1.000 0 -3100.0 0 50 P ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 8h 51 Q EAV 481593.3 1.0 0.0 481593.3 484690.5 0.000 1.000 0 -3100.0 0 52 Q ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9h 53 R EAV 490588.3 0.0 0.0 490588.3 493688.3 0.000 FIXEDHF 1.000 0 -3100.0 0 54 R ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 10h 55 S EAV 497024.6 0.0 0.0 497024.6 500124.6 0.000 FIXEDHF 1.000 0 -3100.0 0 56 S ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11h 57 T EAV 501786.6 0.0 0.0 501786.6 504886.6 0.000 FIXEDHF 1.000 0 -3100.0 0 58 T ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12h 59 U EAV 505407.4 0.0 0.0 505407.4 508507.4 0.000 FIXEDHF 1.000 0 -3100.0 0 60 U ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13h 61 V EAV 508227.4 0.0 0.0 508227.4 511327.4 0.000 FIXEDHF 1.000 0 -3100.0 0 62 V ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14h 63 W EAV 510463.9 0.0 0.0 510463.9 513563.9 0.000 FIXEDHF 1.000 0 -3100.0 0 64 W ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8k 65 X EAV 481596.7 1.0 0.0 481596.7 484695.6 0.000 1.000 0 -3100.0 0 66 X ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9k 67 Y EAV 490592.3 0.0 0.0 490592.3 493692.3 0.000 FIXEDHF 1.000 0 -3100.0 0 68 Y ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10k 69 Z EAV 497027.3 0.0 0.0 497027.3 500127.3 0.000 FIXEDHF 1.000 0 -3100.0 0 70 Z ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11k 71 a EAV 501788.5 0.0 0.0 501788.5 504888.5 0.000 FIXEDHF 1.000 0 -3100.0 0 72 a ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12k 73 b EAV 505410.8 0.0 0.0 505410.8 508510.8 0.000 FIXEDHF 1.000 0 -3100.0 0 74 b ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13k 75 c EAV 508229.2 0.0 0.0 508229.2 511329.2 0.000 FIXEDHF 1.000 0 -3100.0 0 76 c ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14k 77 d EAV 510464.5 0.0 0.0 510464.5 513564.5 0.000 FIXEDHF 1.000 0 -3100.0 0 78 d ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p5 3s2 79 e EAV 1053213.1 0.0 0.0 1053213.1 1056313.1 0.000 FIXEDHF 1.000 0 -3100.0 0 80 e ZETA 1 4886.1 0.0 0.0 4886.1 4886.1 1.000 FIXEDHF 1.000 0 0.0 0 2p5 3s3d 81 f EAV 1263121.5 0.0 0.0 1263121.5 1266221.5 0.000 FIXEDHF 1.000 0 -3100.0 0 82 f ZETA 1 4910.1 0.0 0.0 4910.1 4910.1 1.000 FIXEDHF 1.000 0 0.0 0 83 f ZETA 8 23.2 0.0 0.0 23.2 23.2 1.000 FIXEDHF 1.000 0 0.0 0 84 f F2(18) 22148.3 0.0 0.0 22148.3 27685.4 0.800 FIXEDHF 0.800 0 0.0 0 85 f G1(12) 12374.9 0.0 0.0 12374.9 15468.6 0.800 FIXEDHF 0.800 0 0.0 0 86 f G1(18) 14883.8 0.0 0.0 14883.8 18604.8 0.800 FIXEDHF 0.800 0 0.0 0 87 f G3(18) 8435.7 0.0 0.0 8435.7 10544.6 0.800 FIXEDHF 0.800 0 0.0 0 88 f G2(28) 46217.5 0.0 0.0 46217.5 57771.9 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3p2 89 g EAV 1235508.5 0.0 0.0 1235508.5 1238608.5 0.000 FIXEDHF 1.000 0 -3100.0 0 90 g F2(33) 49476.3 0.0 0.0 49476.3 61845.4 0.800 FIXEDHF 0.800 0 0.0 0 91 g ALPHA 0.0 0.0 0.0 0.0 0.0 0.000 FIXED 1.000 0 0.0 0 92 g ZETA 1 4878.6 0.0 0.0 4878.6 4878.6 1.000 FIXEDHF 1.000 0 0.0 0 93 g ZETA 3 643.8 0.0 0.0 643.8 643.8 1.000 FIXEDHF 1.000 0 0.0 0 94 g F2(13) 26457.7 0.0 0.0 26457.7 33072.1 0.800 FIXEDHF 0.800 0 0.0 0 95 g G0(13) 12413.0 0.0 0.0 12413.0 15516.3 0.800 FIXEDHF 0.800 0 0.0 0 96 g G2(13) 11644.3 0.0 0.0 11644.3 14555.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s2 97 1e 1D1322 -5794.0 0.0 0.0 -5794.0 -7242.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s3d 98 1f 1D1328 -9391.6 0.0 0.0 -9391.6 -11739.5 0.800 FIXEDHF 0.800 0 0.0 0 99 1f 1E1328 -22664.6 0.0 0.0 -22664.6 -28330.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3p2 100 1g 0D1113 6404.2 0.0 0.0 6404.2 8005.3 0.800 FIXEDHF 0.800 0 0.0 0 101 1g 2D1113 28576.3 0.0 0.0 28576.3 35720.4 0.800 FIXEDHF 0.800 0 0.0 0 102 1g 0D1333 324.7 0.0 0.0 324.7 405.9 0.800 FIXEDHF 0.800 0 0.0 0 103 1g 2D1333 -5495.9 0.0 0.0 -5495.9 -6869.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s2 104 2e 1D1422 -960.2 0.0 0.0 -960.2 -1200.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s3d 105 2f 1D1428 -2576.7 0.0 0.0 -2576.7 -3220.9 0.800 FIXEDHF 0.800 0 0.0 0 106 2f 1E1428 -8602.2 0.0 0.0 -8602.2 -10752.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3p2 107 2g 0D1433 2829.3 0.0 0.0 2829.3 3536.6 0.800 FIXEDHF 0.800 0 0.0 0 108 2g 2D1433 -1279.6 0.0 0.0 -1279.6 -1599.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s2 109 3e 1D1422 -263.9 0.0 0.0 -263.9 -329.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s3d 110 3f 1D1428 -1425.1 0.0 0.0 -1425.1 -1781.4 0.800 FIXEDHF 0.800 0 0.0 0 111 3f 1E1428 -5025.5 0.0 0.0 -5025.5 -6281.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3p2 112 3g 0D1433 1913.6 0.0 0.0 1913.6 2392.0 0.800 FIXEDHF 0.800 0 0.0 0 113 3g 2D1433 -524.8 0.0 0.0 -524.8 -656.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s2 114 4e 1D1422 -74.6 0.0 0.0 -74.6 -93.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s3d 115 4f 1D1428 -950.0 0.0 0.0 -950.0 -1187.5 0.800 FIXEDHF 0.800 0 0.0 0 116 4f 1E1428 -3441.3 0.0 0.0 -3441.3 -4301.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3p2 117 4g 0D1433 1404.7 0.0 0.0 1404.7 1755.9 0.800 FIXEDHF 0.800 0 0.0 0 118 4g 2D1433 -276.2 0.0 0.0 -276.2 -345.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s2 119 5e 1D1422 -9.0 0.0 0.0 -9.0 -11.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s3d 120 5f 1D1428 -696.9 0.0 0.0 -696.9 -871.1 0.800 FIXEDHF 0.800 0 0.0 0 121 5f 1E1428 -2563.9 0.0 0.0 -2563.9 -3204.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3p2 122 5g 0D1433 1088.2 0.0 0.0 1088.2 1360.2 0.800 FIXEDHF 0.800 0 0.0 0 123 5g 2D1433 -168.6 0.0 0.0 -168.6 -210.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s2 124 6e 1D1422 16.2 0.0 0.0 16.2 20.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s3d 125 6f 1D1428 -541.8 0.0 0.0 -541.8 -677.3 0.800 FIXEDHF 0.800 0 0.0 0 126 6f 1E1428 -2013.3 0.0 0.0 -2013.3 -2516.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3p2 127 6g 0D1433 875.4 0.0 0.0 875.4 1094.2 0.800 FIXEDHF 0.800 0 0.0 0 128 6g 2D1433 -113.5 0.0 0.0 -113.5 -141.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s2 129 7e 1D1422 26.1 0.0 0.0 26.1 32.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s3d 130 7f 1D1428 -438.2 0.0 0.0 -438.2 -547.7 0.800 FIXEDHF 0.800 0 0.0 0 131 7f 1E1428 -1638.9 0.0 0.0 -1638.9 -2048.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3p2 132 7g 0D1433 724.2 0.0 0.0 724.2 905.2 0.800 FIXEDHF 0.800 0 0.0 0 133 7g 2D1433 -81.9 0.0 0.0 -81.9 -102.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s2 134 8e 1D1422 29.4 0.0 0.0 29.4 36.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s3d 135 8f 1D1428 -364.5 0.0 0.0 -364.5 -455.6 0.800 FIXEDHF 0.800 0 0.0 0 136 8f 1E1428 -1369.7 0.0 0.0 -1369.7 -1712.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3p2 137 8g 0D1433 612.0 0.0 0.0 612.0 765.0 0.800 FIXEDHF 0.800 0 0.0 0 138 8g 2D1433 -62.2 0.0 0.0 -62.2 -77.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s2 139 9e 1D1422 29.8 0.0 0.0 29.8 37.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s3d 140 9f 1D1428 -309.7 0.0 0.0 -309.7 -387.1 0.800 FIXEDHF 0.800 0 0.0 0 141 9f 1E1428 -1168.0 0.0 0.0 -1168.0 -1460.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3p2 142 9g 0D1433 526.2 0.0 0.0 526.2 657.8 0.800 FIXEDHF 0.800 0 0.0 0 143 9g 2D1433 -49.1 0.0 0.0 -49.1 -61.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s2 144 Ae 1D1422 29.0 0.0 0.0 29.0 36.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s3d 145 Af 1D1428 -267.7 0.0 0.0 -267.7 -334.6 0.800 FIXEDHF 0.800 0 0.0 0 146 Af 1E1428 -1012.0 0.0 0.0 -1012.0 -1265.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3p2 147 Ag 0D1433 458.8 0.0 0.0 458.8 573.5 0.800 FIXEDHF 0.800 0 0.0 0 148 Ag 2D1433 -40.0 0.0 0.0 -40.0 -50.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s2 149 Be 1D1422 27.6 0.0 0.0 27.6 34.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s3d 150 Bf 1D1428 -234.5 0.0 0.0 -234.5 -293.1 0.800 FIXEDHF 0.800 0 0.0 0 151 Bf 1E1428 -888.3 0.0 0.0 -888.3 -1110.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3p2 152 Bg 0D1433 404.6 0.0 0.0 404.6 505.8 0.800 FIXEDHF 0.800 0 0.0 0 153 Bg 2D1433 -33.4 0.0 0.0 -33.4 -41.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s2 154 Ce 1D1422 26.0 0.0 0.0 26.0 32.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s3d 155 Cf 1D1428 -207.7 0.0 0.0 -207.7 -259.6 0.800 FIXEDHF 0.800 0 0.0 0 156 Cf 1E1428 -788.2 0.0 0.0 -788.2 -985.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3p2 157 Cg 0D1433 360.4 0.0 0.0 360.4 450.5 0.800 FIXEDHF 0.800 0 0.0 0 158 Cg 2D1433 -28.3 0.0 0.0 -28.3 -35.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3s3d 159 Df 1D1528 3327.5 0.0 0.0 3327.5 4159.4 0.800 FIXEDHF 0.800 0 0.0 0 160 Df 3E1528 2507.5 0.0 0.0 2507.5 3134.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3p2 161 Dg 2D1533 2791.6 0.0 0.0 2791.6 3489.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3s3d 162 Ef 1D1528 2391.3 0.0 0.0 2391.3 2989.1 0.800 FIXEDHF 0.800 0 0.0 0 163 Ef 3E1528 2074.9 0.0 0.0 2074.9 2593.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3p2 164 Eg 2D1533 2198.4 0.0 0.0 2198.4 2748.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3s3d 165 Ff 1D1528 1796.6 0.0 0.0 1796.6 2245.7 0.800 FIXEDHF 0.800 0 0.0 0 166 Ff 3E1528 1665.4 0.0 0.0 1665.4 2081.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3p2 167 Fg 2D1533 1721.8 0.0 0.0 1721.8 2152.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3s3d 168 Gf 1D1528 1410.5 0.0 0.0 1410.5 1763.1 0.800 FIXEDHF 0.800 0 0.0 0 169 Gf 3E1528 1357.1 0.0 0.0 1357.1 1696.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3p2 170 Gg 2D1533 1383.5 0.0 0.0 1383.5 1729.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3s3d 171 Hf 1D1528 1145.3 0.0 0.0 1145.3 1431.6 0.800 FIXEDHF 0.800 0 0.0 0 172 Hf 3E1528 1128.0 0.0 0.0 1128.0 1410.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3p2 173 Hg 2D1533 1139.6 0.0 0.0 1139.6 1424.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3s3d 174 If 1D1528 954.2 0.0 0.0 954.2 1192.7 0.800 FIXEDHF 0.800 0 0.0 0 175 If 3E1528 954.6 0.0 0.0 954.6 1193.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3p2 176 Ig 2D1533 958.6 0.0 0.0 958.6 1198.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3s3d 177 Jf 1D1528 811.0 0.0 0.0 811.0 1013.8 0.800 FIXEDHF 0.800 0 0.0 0 178 Jf 3E1528 820.6 0.0 0.0 820.6 1025.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3p2 179 Jg 2D1533 820.4 0.0 0.0 820.4 1025.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3s3d 180 Kf 1D1528 700.6 0.0 0.0 700.6 875.8 0.800 FIXEDHF 0.800 0 0.0 0 181 Kf 3E1528 714.6 0.0 0.0 714.6 893.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3p2 182 Kg 2D1533 712.2 0.0 0.0 712.2 890.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3s3d 183 Lf 1D1528 613.3 0.0 0.0 613.3 766.6 0.800 FIXEDHF 0.800 0 0.0 0 184 Lf 3E1528 629.4 0.0 0.0 629.4 786.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3p2 185 Lg 2D1533 625.8 0.0 0.0 625.8 782.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3s3d 186 Mf 1D1528 542.8 0.0 0.0 542.8 678.5 0.800 FIXEDHF 0.800 0 0.0 0 187 Mf 3E1528 559.8 0.0 0.0 559.8 699.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3p2 188 Mg 2D1533 555.5 0.0 0.0 555.5 694.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3s3d 189 Nf 1D1528 484.9 0.0 0.0 484.9 606.1 0.800 FIXEDHF 0.800 0 0.0 0 190 Nf 3E1528 502.0 0.0 0.0 502.0 627.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3p2 191 Ng 2D1533 497.4 0.0 0.0 497.4 621.8 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3s3d 192 ef 2D1218 11191.0 0.0 0.0 11191.0 13988.8 0.800 FIXEDHF 0.800 0 0.0 0 193 ef 1E1218 -3626.6 0.0 0.0 -3626.6 -4533.2 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3p2 194 eg 1D2233 66802.2 0.0 0.0 66802.2 83502.8 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3p2 195 fg 1D2833 61510.6 0.0 0.0 61510.6 76888.3 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 1.5 26 FREE ITERATION 1 KURUCZ job terminated at 18-AUG-2016 19:49:16.32 Accounting information: Buffered I/O count: 174 Peak working set size: 9632 Direct I/O count: 291 Peak virtual size: 322592 Page faults: 2081 Mounted volumes: 0 Charged CPU time: 0 00:00:00.24 Elapsed time: 0 00:00:35.74