$ Set NoOn $ VERIFY = F$VERIFY(F$TRNLNM("SYLOGIN_VERIFY")) %SET-W-NOTSET, error modifying CFAKU1$DKB0: -SET-E-INVDEV, device is invalid for requested operation $ EXIT $SET def 1605 $SET VERIFY=NOIMAGE $ASSIGN B1605E.PUN FOR007 $ASSIGN H1605E.HAM FOR001 $ASSIGN C1605E.EIG FOR003 $ASSIGN EAV1605E.DAT FOR066 $ASSIGN POOLG:B1605E15 FOR015 $ASSIGN POOLG:B1605E16 FOR016 $RUN CRAY:LEAST3007 NPAR 263 NJ 7 FIRSTJ 0.5 1 p 6 s 1 p 0 s 0 d 0 g 0 i 0 s 0 2 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 3 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 4 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 5 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 6 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 7 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 8 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 9 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 A p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 B p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 C p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 D p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 E p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 F p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 G p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 H p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 I p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 J p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 K p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 L p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 M p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 N p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 O p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 P p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 Q p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 R p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 S p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 T p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 U p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 V p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 W p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 X p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 Y p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 Z p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 a p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 b p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 c p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 d p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 e p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 f p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 g p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 h p 5 s 1 p 1 s 0 d 0 g 0 i 0 s 0 i p 5 s 0 p 1 s 0 d 1 g 0 i 0 s 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2S)2S 1 TOTAL 1 29 37 34 23 15 9 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 155 37 1 0 29 66 100 123 138 147 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155 0 1 Martin, W.C., Zalubas, R., and Musgrove, A. 1990. J. Phys. Chem. Ref. Data 19, 821-880. 2 3 4 5 6 7 8 9 1 0 0 0 0.300 2.000 1 1.0 60 100 120 100 100 100 50 30 10 10 10 10 10 10 10 0 0 0 0 0 0 0 0 1 1.0 29 37 34 23 15 9 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15.04 2p6 3s 2p6 4s 2p6 5s 2p6 6s 2p6 7s 2p6 8s 2p6 9s 2p6 10s 2p6 11s 2p6 12s 2p6 13s 2p6 14s 2p6 3d 2p6 4d 2p6 5d 2p6 6d 2p6 7d 2p6 8d 2p6 9d 2p6 10d 2p6 11d 2p6 12d 2p6 13d 2p6 14d 2p6 5g 2p6 6g 2p6 7g 2p6 8g 2p6 9g 2p6 10g 2p6 11g 2p6 12g 2p6 13g 2p6 14g 2p6 7i 2p6 8i 2p6 9i 2p6 10i 2p6 11i 2p6 12i 2p6 13i 2p6 14i 2p5 3s3p 2p5 3p3d SENORITY MIXING CORRECTIONS 0 0.5 0.0 2p6.3s 2S 3s 2S 0 0.5 362988.8 2p6.4s 2S 4s 2S 0 0.5 504102.4 2p6.5s 2S 5s 2S 0 0.5 573737.7 2p6.6s 2S 6s 2S 0 0.5 613198.8 2p6.7s 2S 7s 2S 0 0.5 637709. 2p6.8s 2S 8s 2S 1 0.5 1 0.5 1 0.5 1 0.5 1 0.5 1 0.5 0 0.5 1415434.8 X 2p5.3s(3P)3p 4D 3s3P3p 4D 0 0.5 1422215.9 X 2p5.3s(3P)3p 4P 3s3P3p 4P 0 -1.0 0 1.5 247422.5 2p6.3d 2D 3d 2D 0 1.5 451796.8 2p6.4d 2D 4d 2D 0 1.5 546047.6 2p6.5d 2D 5d 2D 0 1.5 596853.0 2p6.6d 2D 6d 2D 0 1.5 627287. 2p6.7d 2D 7d 2D 0 1.5 646931. 2p6.8d 2D 8d 2D 0 1.5 660341. 2p6.9d 2D 9d 2D 1 1.5 1 1.5 1 1.5 1 1.5 1 1.5 0 1.5 1396900.0 X 2p5.3s(3P)3p 4S 3s3P3p 4S 0 1.5 1413120.3 X 2p5.3s(3P)3p 4D 3s3P3p 4D 0 1.5 1420385.2 X 2p5.3s(3P)3p 4P 3s3P3p 4P 1 1.5 2p5.3s(1P)3p 2D 3s1P3p 2D 1 1.5 2p5.3s(1P)3p 2P 3s1P3p 2P 0 -1.0 0 2.5 247455.0 2p6.3d 2D 3d 2D 0 2.5 451813.8 2p6.4d 2D 4d 2D 0 2.5 546058.6 2p6.5d 2D 5d 2D 0 2.5 596861.3 2p6.6d 2D 6d 2D 0 2.5 627287. 2p6.7d 2D 7d 2D 0 2.5 646931. 2p6.8d 2D 8d 2D 0 2.5 660341. 2p6.9d 2D 9d 2D 1 2.5 1 2.5 1 2.5 1 2.5 1 2.5 0 2.5 1411080.3 X 2p5.3s(3P)3p 4D 3s3P3p 4D 0 2.5 1419195.4 X 2p5.3s(3P)3p 4P 3s3P3p 4P 1 2.5 2p5.3s(1P)3p 2D 3s1P3p 2D 0 -1.0 0 3.5 552115.0 2p6.5g 2G 5g 2G 0 3.5 600418.8 2p6.6g 2G 6g 2G 1 3.5 1 3.5 1 3.5 1 3.5 1 3.5 1 3.5 1 3.5 1 3.5 0 3.5 1409630.9 X 2p5.3s(3P)3p 4D 3s3P3p 4D 0 -1.0 0 4.5 552115.0 2p6.5g 2G 5g 2G 0 4.5 600418.8 2p6.6g 2G 6g 2G 0 -1.0 0 5.5 629569.9 2p6.7i 2I 7i 2I 0 -1.0 0 6.5 629569.9 2p6.7i 2I 7i 2I 0 -1.0 263 210.0 22 LEAST SQUARES 1 1 EAV 2766.8 210.0 0.0 1.000 0 0.0 0 2p6 3s 2 2 EAV 363106.1 210.0 365786.7 1.000 0 -3200.0 0 2p6 4s 3 3 EAV 504151.4 210.0 507199.8 1.000 0 -3200.0 0 2p6 5s 4 4 EAV 573763.5 210.0 576898.0 1.000 0 -3200.0 0 2p6 6s 5 5 EAV 613214.1 210.0 616379.6 1.000 0 -3200.0 0 2p6 7s 6 6 EAV 637718.9 210.0 640902.4 1.000 0 -3200.0 0 2p6 8s 7 7 EAV 653974.9 0.0 657174.9 FIXEDHF 1.000 0 -3200.0 0 2p6 9s 8 8 EAV 665322.1 0.0 668522.1 FIXEDHF 1.000 0 -3200.0 0 2p6 10s 9 9 EAV 673550.8 0.0 676750.8 FIXEDHF 1.000 0 -3200.0 0 2p6 11s 10 A EAV 679707.6 0.0 682907.6 FIXEDHF 1.000 0 -3200.0 0 2p6 12s 11 B EAV 684432.2 0.0 687632.2 FIXEDHF 1.000 0 -3200.0 0 2p6 13s 12 C EAV 688140.8 0.0 691340.8 FIXEDHF 1.000 0 -3200.0 0 2p6 14s 13 D EAV 249785.3 149.0 249209.7 1.000 0 -3200.0 0 2p6 3d 14 D ZETA 5 13.4 119.0 29.0 1.000 0 0.0 0 15 E EAV 451871.0 148.0 455036.4 1.000 0 -3200.0 0 2p6 4d 16 E ZETA 5 6.8 119.0 13.4 1.000 0 0.0 0 17 F EAV 546079.7 148.0 549290.6 1.000 0 -3200.0 0 2p6 5d 18 F ZETA 5 4.4 119.0 6.9 1.000 0 0.0 0 19 G EAV 596871.0 148.0 600074.9 1.000 0 -3200.0 0 2p6 6d 20 G ZETA 5 3.3 119.0 4.0 1.000 0 0.0 0 21 H EAV 627295.3 148.0 630494.0 1.000 0 -3200.0 0 2p6 7d 22 H ZETA 5 2.5 0.0 2.5 FIXEDHF 1.000 0 0.0 0 23 I EAV 646936.4 148.0 650133.0 1.000 0 -3200.0 0 2p6 8d 24 I ZETA 5 1.7 0.0 1.7 FIXEDHF 1.000 0 0.0 0 25 J EAV 660341.7 0.0 663541.7 FIXEDHF 1.000 0 -3200.0 0 2p6 9d 26 J ZETA 5 1.2 0.0 1.2 FIXEDHF 1.000 0 0.0 0 27 K EAV 669899.3 0.0 673099.3 FIXEDHF 1.000 0 -3200.0 0 2p6 10d 28 K ZETA 5 0.9 0.0 0.9 FIXEDHF 1.000 0 0.0 0 29 L EAV 676949.1 0.0 680149.1 FIXEDHF 1.000 0 -3200.0 0 2p6 11d 30 L ZETA 5 0.6 0.0 0.6 FIXEDHF 1.000 0 0.0 0 31 M EAV 682301.0 0.0 685501.0 FIXEDHF 1.000 0 -3200.0 0 2p6 12d 32 M ZETA 5 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 33 N EAV 686455.1 0.0 689655.1 FIXEDHF 1.000 0 -3200.0 0 2p6 13d 34 N ZETA 5 0.4 0.0 0.4 FIXEDHF 1.000 0 0.0 0 35 O EAV 689746.6 0.0 692946.6 FIXEDHF 1.000 0 -3200.0 0 2p6 14d 36 O ZETA 5 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 37 P EAV 552115.3 148.0 555235.8 1.000 0 -3200.0 0 2p6 5g 38 P ZETA 6 0.9 0.0 0.9 FIXEDHF 1.000 0 0.0 0 39 Q EAV 600419.0 148.0 603548.1 1.000 0 -3200.0 0 2p6 6g 40 Q ZETA 6 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 41 R EAV 629493.1 0.0 632693.1 FIXEDHF 1.000 0 -3200.0 0 2p6 7g 42 R ZETA 6 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 43 S EAV 648410.4 0.0 651610.4 FIXEDHF 1.000 0 -3200.0 0 2p6 8g 44 S ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 45 T EAV 661380.8 0.0 664580.8 FIXEDHF 1.000 0 -3200.0 0 2p6 9g 46 T ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 47 U EAV 670656.9 0.0 673856.9 FIXEDHF 1.000 0 -3200.0 0 2p6 10g 48 U ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 49 V EAV 677519.0 0.0 680719.0 FIXEDHF 1.000 0 -3200.0 0 2p6 11g 50 V ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 51 W EAV 682740.4 0.0 685940.4 FIXEDHF 1.000 0 -3200.0 0 2p6 12g 52 W ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 53 X EAV 686801.0 0.0 690001.0 FIXEDHF 1.000 0 -3200.0 0 2p6 13g 54 X ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 55 Y EAV 690024.3 0.0 693224.3 FIXEDHF 1.000 0 -3200.0 0 2p6 14g 56 Y ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 Z EAV 629569.9 148.0 632767.1 1.000 0 -3200.0 0 2p6 7i 58 Z ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 59 a EAV 648463.4 0.0 651663.4 FIXEDHF 1.000 0 -3200.0 0 2p6 8i 60 a ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 61 b EAV 661418.8 0.0 664618.8 FIXEDHF 1.000 0 -3200.0 0 2p6 9i 62 b ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 63 c EAV 670685.5 0.0 673885.5 FIXEDHF 1.000 0 -3200.0 0 2p6 10i 64 c ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 d EAV 677542.4 0.0 680742.4 FIXEDHF 1.000 0 -3200.0 0 2p6 11i 66 d ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 e EAV 682757.9 0.0 685957.9 FIXEDHF 1.000 0 -3200.0 0 2p6 12i 68 e ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 f EAV 686815.0 0.0 690015.0 FIXEDHF 1.000 0 -3200.0 0 2p6 13i 70 f ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 g EAV 690036.8 0.0 693236.8 FIXEDHF 1.000 0 -3200.0 0 2p6 14i 72 g ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 h EAV 1429593.2 75.0 1429696.6 1.000 0 0.0 0 2p5 3s3p 74 h ZETA 1 6758.3 0.0 6758.3 FIXEDHF 1.000 0 0.0 0 75 h ZETA 3 1002.7 0.0 1002.7 FIXEDHF 1.000 0 0.0 0 76 h F2(13) 38647.4 510.0 39755.2 0.800 0 0.0 0 77 h G1(12) 14251.5 0.0 17814.4 FIXEDHF 0.800 0 0.0 0 78 h G0(13) 14734.2 0.0 18417.8 FIXEDHF 0.800 0 0.0 0 79 h G2(13) 14075.8 0.0 17594.7 FIXEDHF 0.800 0 0.0 0 80 h G1(23) 52473.5 1625.0 95335.0 0.800 0 0.0 0 81 i EAV 1695073.4 0.0 1695073.4 FIXEDHF 1.000 0 0.0 0 2p5 3p3d 82 i ZETA 1 6789.2 0.0 6789.2 FIXEDHF 1.000 0 0.0 0 83 i ZETA 3 1005.5 0.0 1005.5 FIXEDHF 1.000 0 0.0 0 84 i ZETA 5 45.7 0.0 45.7 FIXEDHF 1.000 0 0.0 0 85 i F2(13) 31815.3 0.0 39769.1 FIXEDHF 0.800 0 0.0 0 86 i F2(15) 29210.2 0.0 36512.8 FIXEDHF 0.800 0 0.0 0 87 i F2(35) 55343.8 0.0 69179.7 FIXEDHF 0.800 0 0.0 0 88 i G0(13) 14708.3 0.0 18385.4 FIXEDHF 0.800 0 0.0 0 89 i G2(13) 14067.4 0.0 17584.3 FIXEDHF 0.800 0 0.0 0 90 i G1(15) 21087.8 0.0 26359.7 FIXEDHF 0.800 0 0.0 0 91 i G3(15) 11987.5 0.0 14984.4 FIXEDHF 0.800 0 0.0 0 92 i G1(35) 66770.7 0.0 83463.4 FIXEDHF 0.800 0 0.0 0 93 i G3(35) 42349.4 0.0 52936.7 FIXEDHF 0.800 0 0.0 0 94 1h 0D1113 7236.7 0.0 9045.9 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3s3p 95 1h 2D1113 32517.8 0.0 40647.3 FIXEDHF 0.800 0 0.0 0 96 1h 1D1223 -6270.0 0.0 -7837.5 FIXEDHF 0.800 0 0.0 0 97 1h 0E1223 -916.6 0.0 -1145.8 FIXEDHF 0.800 0 0.0 0 98 1i 2D1235 -11712.2 0.0 -14640.2 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3p3d 99 1i 1E1235 -29106.0 0.0 -36382.5 FIXEDHF 0.800 0 0.0 0 100 2h 1D1423 148.2 0.0 185.2 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3s3p 101 2h 0E1423 3313.4 0.0 4141.7 FIXEDHF 0.800 0 0.0 0 102 2i 2D1435 -3743.5 0.0 -4679.4 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3p3d 103 2i 1E1435 -8589.2 0.0 -10736.5 FIXEDHF 0.800 0 0.0 0 104 3h 1D1423 489.3 0.0 611.6 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3s3p 105 3h 0E1423 2197.8 0.0 2747.2 FIXEDHF 0.800 0 0.0 0 106 3i 2D1435 -2133.8 0.0 -2667.2 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3p3d 107 3i 1E1435 -4865.6 0.0 -6082.0 FIXEDHF 0.800 0 0.0 0 108 4h 1D1423 467.8 0.0 584.8 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3s3p 109 4h 0E1423 1596.2 0.0 1995.3 FIXEDHF 0.800 0 0.0 0 110 4i 2D1435 -1445.8 0.0 -1807.2 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3p3d 111 4i 1E1435 -3297.0 0.0 -4121.3 FIXEDHF 0.800 0 0.0 0 112 5h 1D1423 404.3 0.0 505.4 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3s3p 113 5h 0E1423 1228.2 0.0 1535.2 FIXEDHF 0.800 0 0.0 0 114 5i 2D1435 -1070.7 0.0 -1338.4 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3p3d 115 5i 1E1435 -2443.8 0.0 -3054.7 FIXEDHF 0.800 0 0.0 0 116 6h 1D1423 344.6 0.0 430.8 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3s3p 117 6h 0E1423 983.3 0.0 1229.1 FIXEDHF 0.800 0 0.0 0 118 6i 2D1435 -837.4 0.0 -1046.8 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3p3d 119 6i 1E1435 -1912.8 0.0 -2391.0 FIXEDHF 0.800 0 0.0 0 120 7h 1D1423 295.1 0.0 368.9 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3s3p 121 7h 0E1423 810.6 0.0 1013.2 FIXEDHF 0.800 0 0.0 0 122 7i 2D1435 -679.8 0.0 -849.7 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3p3d 123 7i 1E1435 -1553.6 0.0 -1942.0 FIXEDHF 0.800 0 0.0 0 124 8h 1D1423 255.2 0.0 319.0 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3s3p 125 8h 0E1423 683.2 0.0 854.0 FIXEDHF 0.800 0 0.0 0 126 8i 2D1435 -566.9 0.0 -708.6 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3p3d 127 8i 1E1435 -1296.2 0.0 -1620.3 FIXEDHF 0.800 0 0.0 0 128 9h 1D1423 222.8 0.0 278.5 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3s3p 129 9h 0E1423 586.2 0.0 732.7 FIXEDHF 0.800 0 0.0 0 130 9i 2D1435 -482.6 0.0 -603.3 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3p3d 131 9i 1E1435 -1103.9 0.0 -1379.9 FIXEDHF 0.800 0 0.0 0 132 Ah 1D1423 196.5 0.0 245.6 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3s3p 133 Ah 0E1423 510.1 0.0 637.6 FIXEDHF 0.800 0 0.0 0 134 Ai 2D1435 -417.6 0.0 -522.0 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3p3d 135 Ai 1E1435 -955.4 0.0 -1194.3 FIXEDHF 0.800 0 0.0 0 136 Bh 1D1423 174.7 0.0 218.4 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3s3p 137 Bh 0E1423 449.2 0.0 561.5 FIXEDHF 0.800 0 0.0 0 138 Bi 2D1435 -366.2 0.0 -457.7 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3p3d 139 Bi 1E1435 -837.9 0.0 -1047.4 FIXEDHF 0.800 0 0.0 0 140 Ch 1D1423 156.6 0.0 195.7 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3s3p 141 Ch 0E1423 399.6 0.0 499.5 FIXEDHF 0.800 0 0.0 0 142 Ci 2D1435 -324.6 0.0 -405.7 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3p3d 143 Ci 1E1435 -743.0 0.0 -928.7 FIXEDHF 0.800 0 0.0 0 144 Dh 1D1523 -10227.0 0.0 -12783.8 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3s3p 145 Dh 2E1523 -11170.7 0.0 -13963.4 FIXEDHF 0.800 0 0.0 0 146 Di 0D1113 7235.0 0.0 9043.8 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3p3d 147 Di 2D1113 32541.8 0.0 40677.2 FIXEDHF 0.800 0 0.0 0 148 Di 0D1535 -1983.1 0.0 -2478.9 FIXEDHF 0.800 0 0.0 0 149 Di 2D1535 -9479.2 0.0 -11849.0 FIXEDHF 0.800 0 0.0 0 150 Di 1E1535 -23893.3 0.0 -29866.6 FIXEDHF 0.800 0 0.0 0 151 Di 3E1535 -10882.0 0.0 -13602.5 FIXEDHF 0.800 0 0.0 0 152 Eh 1D1523 -3550.3 0.0 -4437.9 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3s3p 153 Eh 2E1523 -4818.4 0.0 -6023.0 FIXEDHF 0.800 0 0.0 0 154 Ei 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3p3d 155 Ei 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 156 Ei 0D1535 2051.5 0.0 2564.4 FIXEDHF 0.800 0 0.0 0 157 Ei 2D1535 -3486.2 0.0 -4357.8 FIXEDHF 0.800 0 0.0 0 158 Ei 1E1535 -8270.5 0.0 -10338.1 FIXEDHF 0.800 0 0.0 0 159 Ei 3E1535 -4866.4 0.0 -6083.0 FIXEDHF 0.800 0 0.0 0 160 Fh 1D1523 -1899.3 0.0 -2374.1 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3s3p 161 Fh 2E1523 -2794.5 0.0 -3493.1 FIXEDHF 0.800 0 0.0 0 162 Fi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3p3d 163 Fi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 164 Fi 0D1535 1453.4 0.0 1816.8 FIXEDHF 0.800 0 0.0 0 165 Fi 2D1535 -1862.2 0.0 -2327.8 FIXEDHF 0.800 0 0.0 0 166 Fi 1E1535 -4310.2 0.0 -5387.7 FIXEDHF 0.800 0 0.0 0 167 Fi 3E1535 -2834.0 0.0 -3542.5 FIXEDHF 0.800 0 0.0 0 168 Gh 1D1523 -1233.5 0.0 -1541.9 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3s3p 169 Gh 2E1523 -1890.2 0.0 -2362.8 FIXEDHF 0.800 0 0.0 0 170 Gi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3p3d 171 Gi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 172 Gi 0D1535 1093.7 0.0 1367.1 FIXEDHF 0.800 0 0.0 0 173 Gi 2D1535 -1195.0 0.0 -1493.8 FIXEDHF 0.800 0 0.0 0 174 Gi 1E1535 -2730.7 0.0 -3413.4 FIXEDHF 0.800 0 0.0 0 175 Gi 3E1535 -1912.8 0.0 -2391.0 FIXEDHF 0.800 0 0.0 0 176 Hh 1D1523 -889.8 0.0 -1112.3 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3s3p 177 Hh 2E1523 -1396.0 0.0 -1745.0 FIXEDHF 0.800 0 0.0 0 178 Hi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3p3d 179 Hi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 180 Hi 0D1535 860.9 0.0 1076.1 FIXEDHF 0.800 0 0.0 0 181 Hi 2D1535 -851.8 0.0 -1064.7 FIXEDHF 0.800 0 0.0 0 182 Hi 1E1535 -1931.5 0.0 -2414.4 FIXEDHF 0.800 0 0.0 0 183 Hi 3E1535 -1408.4 0.0 -1760.5 FIXEDHF 0.800 0 0.0 0 184 Ih 1D1523 -684.5 0.0 -855.6 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3s3p 185 Ih 2E1523 -1090.0 0.0 -1362.5 FIXEDHF 0.800 0 0.0 0 186 Ii 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3p3d 187 Ii 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 188 Ii 0D1535 700.4 0.0 875.5 FIXEDHF 0.800 0 0.0 0 189 Ii 2D1535 -648.7 0.0 -810.9 FIXEDHF 0.800 0 0.0 0 190 Ii 1E1535 -1463.7 0.0 -1829.6 FIXEDHF 0.800 0 0.0 0 191 Ii 3E1535 -1096.7 0.0 -1370.9 FIXEDHF 0.800 0 0.0 0 192 Jh 1D1523 -549.7 0.0 -687.1 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3s3p 193 Jh 2E1523 -884.2 0.0 -1105.2 FIXEDHF 0.800 0 0.0 0 194 Ji 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3p3d 195 Ji 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 196 Ji 0D1535 584.3 0.0 730.4 FIXEDHF 0.800 0 0.0 0 197 Ji 2D1535 -516.8 0.0 -646.0 FIXEDHF 0.800 0 0.0 0 198 Ji 1E1535 -1162.1 0.0 -1452.6 FIXEDHF 0.800 0 0.0 0 199 Ji 3E1535 -887.6 0.0 -1109.5 FIXEDHF 0.800 0 0.0 0 200 Kh 1D1523 -455.1 0.0 -568.9 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3s3p 201 Kh 2E1523 -737.4 0.0 -921.7 FIXEDHF 0.800 0 0.0 0 202 Ki 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3p3d 203 Ki 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 204 Ki 0D1535 497.1 0.0 621.4 FIXEDHF 0.800 0 0.0 0 205 Ki 2D1535 -425.2 0.0 -531.5 FIXEDHF 0.800 0 0.0 0 206 Ki 1E1535 -953.8 0.0 -1192.2 FIXEDHF 0.800 0 0.0 0 207 Ki 3E1535 -738.9 0.0 -923.6 FIXEDHF 0.800 0 0.0 0 208 Lh 1D1523 -385.6 0.0 -482.0 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3s3p 209 Lh 2E1523 -627.9 0.0 -784.9 FIXEDHF 0.800 0 0.0 0 210 Li 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3p3d 211 Li 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 212 Li 0D1535 429.7 0.0 537.1 FIXEDHF 0.800 0 0.0 0 213 Li 2D1535 -358.5 0.0 -448.1 FIXEDHF 0.800 0 0.0 0 214 Li 1E1535 -802.6 0.0 -1003.2 FIXEDHF 0.800 0 0.0 0 215 Li 3E1535 -628.3 0.0 -785.4 FIXEDHF 0.800 0 0.0 0 216 Mh 1D1523 -332.6 0.0 -415.7 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3s3p 217 Mh 2E1523 -543.7 0.0 -679.6 FIXEDHF 0.800 0 0.0 0 218 Mi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3p3d 219 Mi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 220 Mi 0D1535 376.3 0.0 470.4 FIXEDHF 0.800 0 0.0 0 221 Mi 2D1535 -307.9 0.0 -384.9 FIXEDHF 0.800 0 0.0 0 222 Mi 1E1535 -688.4 0.0 -860.5 FIXEDHF 0.800 0 0.0 0 223 Mi 3E1535 -543.4 0.0 -679.3 FIXEDHF 0.800 0 0.0 0 224 Nh 1D1523 -290.9 0.0 -363.6 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3s3p 225 Nh 2E1523 -477.1 0.0 -596.4 FIXEDHF 0.800 0 0.0 0 226 Ni 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3p3d 227 Ni 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 228 Ni 0D1535 333.1 0.0 416.4 FIXEDHF 0.800 0 0.0 0 229 Ni 2D1535 -268.5 0.0 -335.6 FIXEDHF 0.800 0 0.0 0 230 Ni 1E1535 -599.6 0.0 -749.5 FIXEDHF 0.800 0 0.0 0 231 Ni 3E1535 -476.4 0.0 -595.5 FIXEDHF 0.800 0 0.0 0 232 Oh 1D1523 -257.4 0.0 -321.8 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3s3p 233 Oh 2E1523 -423.3 0.0 -529.1 FIXEDHF 0.800 0 0.0 0 234 Oi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3p3d 235 Oi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 236 Oi 0D1535 297.6 0.0 372.0 FIXEDHF 0.800 0 0.0 0 237 Oi 2D1535 -237.0 0.0 -296.3 FIXEDHF 0.800 0 0.0 0 238 Oi 1E1535 -528.9 0.0 -661.1 FIXEDHF 0.800 0 0.0 0 239 Oi 3E1535 -422.4 0.0 -528.0 FIXEDHF 0.800 0 0.0 0 240 Pi 2D1635 -911.0 0.0 -1138.7 FIXEDHF 0.800 0 0.0 0 2p6 5g -2p5 3p3d 241 Pi 3E1635 -741.3 0.0 -926.6 FIXEDHF 0.800 0 0.0 0 242 Qi 2D1635 -862.8 0.0 -1078.5 FIXEDHF 0.800 0 0.0 0 2p6 6g -2p5 3p3d 243 Qi 3E1635 -727.1 0.0 -908.9 FIXEDHF 0.800 0 0.0 0 244 Ri 2D1635 -752.6 0.0 -940.7 FIXEDHF 0.800 0 0.0 0 2p6 7g -2p5 3p3d 245 Ri 3E1635 -646.6 0.0 -808.3 FIXEDHF 0.800 0 0.0 0 246 Si 2D1635 -648.7 0.0 -810.9 FIXEDHF 0.800 0 0.0 0 2p6 8g -2p5 3p3d 247 Si 3E1635 -564.2 0.0 -705.2 FIXEDHF 0.800 0 0.0 0 248 Ti 2D1635 -561.4 0.0 -701.8 FIXEDHF 0.800 0 0.0 0 2p6 9g -2p5 3p3d 249 Ti 3E1635 -492.2 0.0 -615.2 FIXEDHF 0.800 0 0.0 0 250 Ui 2D1635 -489.9 0.0 -612.4 FIXEDHF 0.800 0 0.0 0 2p6 10g -2p5 3p3d 251 Ui 3E1635 -431.8 0.0 -539.8 FIXEDHF 0.800 0 0.0 0 252 Vi 2D1635 -431.2 0.0 -539.0 FIXEDHF 0.800 0 0.0 0 2p6 11g -2p5 3p3d 253 Vi 3E1635 -381.6 0.0 -477.0 FIXEDHF 0.800 0 0.0 0 254 Wi 2D1635 -382.8 0.0 -478.5 FIXEDHF 0.800 0 0.0 0 2p6 12g -2p5 3p3d 255 Wi 3E1635 -339.8 0.0 -424.8 FIXEDHF 0.800 0 0.0 0 256 Xi 2D1635 -342.4 0.0 -428.0 FIXEDHF 0.800 0 0.0 0 2p6 13g -2p5 3p3d 257 Xi 3E1635 -304.7 0.0 -380.9 FIXEDHF 0.800 0 0.0 0 258 Yi 2D1635 -308.5 0.0 -385.6 FIXEDHF 0.800 0 0.0 0 2p6 14g -2p5 3p3d 259 Yi 3E1635 -275.0 0.0 -343.8 FIXEDHF 0.800 0 0.0 0 260 hi 2D1215 12595.4 0.0 15744.2 FIXEDHF 0.800 0 0.0 0 2p5 3s3p -2p5 3p3d 261 hi 1E1215 -5223.3 0.0 -6529.1 FIXEDHF 0.800 0 0.0 0 262 hi 1D2335 70175.7 0.0 87719.6 FIXEDHF 0.800 0 0.0 0 263 hi 2E2335 53715.4 0.0 67144.2 FIXEDHF 0.800 0 0.0 0 15.04 J 0.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.0 -0.003 0.0 2.002 3s 2S 0.999 1(2S)2S 1 0.032 h(3P)2S 18 2 362988.8 362988.774 0.0 2.002 4s 2S -1.000 2(2S)2S 2 3 504102.4 504102.446 0.0 2.002 5s 2S 1.000 3(2S)2S 3 4 573737.7 573737.724 0.0 2.002 6s 2S -1.000 4(2S)2S 4 5 613198.8 613198.760 0.0 2.002 7s 2S 1.000 5(2S)2S 5 6 637709. 637709.013 0.0 2.002 8s 2S 1.000 6(2S)2S 6 7 653968.152 2.002 1.000 7(2S)2S 7 8 665317.289 2.002 -1.000 8(2S)2S 8 9 673547.249 2.002 1.000 9(2S)2S 9 10 679704.905 2.002 -1.000 A(2S)2S 10 11 684430.107 2.002 1.000 B(2S)2S 11 12 688139.142 2.002 -1.000 C(2S)2S 12 13 1415434.8 X1415261.798 -173.0 0.185 3s3P3p 4D 0.930 h(3P)4D 13 -0.238 h(1P)2P 15 -0.220 h(3P)4P 14 14 1422215.9 X1422212.013 -3.9 2.298 3s3P3p 4P 0.770 h(3P)4P 14 -0.553 h(1P)2S 17 0.218 h(3P)4D 13 15 1426687.673 1.325 0.522 h(1P)2S 17 0.485 h(1P)2P 15 0.483 h(3P)2P 16 16 1429546.467 1.501 -0.588 h(1P)2P 15 0.484 h(1P)2S 17 0.472 h(3P)4P 14 17 1455082.106 0.697 -0.773 h(3P)2P 16 0.589 h(1P)2P 15 0.151 h(1P)2S 17 18 1498813.634 1.998 0.907 h(3P)2S 18 0.388 h(1P)2S 17 0.138 i(3D)2S 29 19 1658833.146 -0.001 0.803 i(3S)4D 19 0.499 i(3P)4D 20 0.323 i(3D)4D 21 20 1676575.672 0.664 -0.625 i(3P)2P 26 0.517 i(1P)2P 24 0.450 i(1D)2P 25 J 0.5 21 1686174.015 2.611 -0.901 i(3D)4P 23 -0.390 i(3P)4P 22 0.121 i(1D)2S 28 22 1692125.789 0.086 -0.646 i(3P)4D 20 0.564 i(3S)4D 19 -0.425 i(3D)4D 21 23 1699071.099 0.212 0.746 i(3D)4D 21 -0.420 i(3P)4D 20 -0.357 i(1D)2P 25 24 1703702.736 2.373 -0.781 i(3P)4P 22 -0.491 i(1D)2S 28 0.272 i(3D)4P 23 25 1705527.111 0.661 0.512 i(1P)2P 24 -0.461 i(1D)2P 25 0.395 i(3P)4D 20 26 1711678.851 2.050 -0.837 i(1D)2S 28 0.362 i(3P)4P 22 -0.291 i(3D)4P 23 27 1717765.304 0.677 -0.570 i(1D)2P 25 -0.559 i(3P)2P 26 -0.428 i(1P)2P 24 28 1733902.481 1.756 0.888 i(3D)2S 29 -0.356 i(3D)2P 27 -0.166 i(1P)2P 24 29 1744495.723 0.914 0.679 i(3D)2P 27 0.413 i(3D)2S 29 -0.369 i(3P)2P 26 29 VECTORS WRITTEN TO UNIT 3 15.04 J 1.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 247422.5 247422.470 0.0 0.800 3d 2D 0.999 D(1S)2D 1 -0.038 i(1S)2D 28 2 451796.8 451796.794 0.0 0.800 4d 2D -1.000 E(1S)2D 2 3 546047.6 546047.649 0.0 0.800 5d 2D 1.000 F(1S)2D 3 4 596853.0 596853.005 0.0 0.800 6d 2D 1.000 G(1S)2D 4 5 627287. 627283.874 -3.1 0.800 7d 2D 1.000 H(1S)2D 5 6 646931. 646928.920 -2.1 0.800 8d 2D -1.000 I(1S)2D 6 7 660341. 660336.534 -4.5 0.800 9d 2D -1.000 J(1S)2D 7 8 669895.545 0.800 -1.000 K(1S)2D 8 9 676946.420 0.800 1.000 L(1S)2D 9 10 682298.894 0.800 -1.000 M(1S)2D 10 11 686453.444 0.800 1.000 N(1S)2D 11 12 689745.310 0.800 1.000 O(1S)2D 12 13 1396900.0 X1397163.040 263.0 1.992 3s3P3p 4S -0.983 h(3P)4S 15 0.150 h(3P)4P 14 -0.073 i(3D)4S 27 14 1413120.3 X1412842.196 -278.1 1.193 3s3P3p 4D 0.905 h(3P)4D 13 0.263 h(1P)2D 16 -0.231 h(3P)4P 14 15 1420385.2 X1420777.409 392.2 1.258 3s3P3p 4P -0.649 h(3P)4P 14 -0.585 h(1P)2D 16 -0.350 h(3P)2D 17 16 1425568.363 1.245 3s1P3p 2D -0.622 h(3P)4P 14 0.552 h(1P)2D 16 -0.407 h(3P)4D 13 17 1430656.332 1.382 3s1P3p 2P -0.683 h(1P)2P 18 -0.618 h(3P)2P 19 0.335 h(3P)4P 14 18 1445978.424 1.053 -0.608 h(3P)2D 17 0.493 h(3P)2P 19 -0.465 h(1P)2P 18 19 1453533.999 1.081 -0.578 h(3P)2D 17 -0.541 h(3P)2P 19 0.465 h(1P)2P 18 20 1659705.315 1.192 -0.808 i(3S)4D 22 -0.479 i(3P)4D 23 -0.323 i(3D)4D 24 J 1.5 21 1672225.861 0.893 -0.586 i(3S)2D 31 0.481 i(3D)2D 33 -0.295 i(1D)2D 30 22 1680505.048 0.598 0.668 i(3P)4F 20 0.568 i(3D)4F 21 0.257 i(3P)2P 36 23 1683589.326 1.243 0.423 i(3D)4S 27 -0.388 i(3P)2P 36 0.366 i(1D)2P 35 24 1684624.731 1.733 0.687 i(3D)4S 27 -0.548 i(3D)4P 26 -0.216 i(1P)2P 34 25 1687507.487 1.763 0.694 i(3D)4P 26 0.541 i(3D)4S 27 0.347 i(3P)4P 25 26 1691082.603 1.174 -0.673 i(3P)4D 23 0.509 i(3S)4D 22 -0.348 i(3D)4D 24 27 1695833.137 0.888 -0.653 i(1P)2D 29 0.423 i(3D)4D 24 -0.331 i(3P)2D 32 28 1697231.339 0.731 0.482 i(3P)4F 20 0.442 i(1P)2D 29 -0.435 i(3D)4F 21 29 1700685.336 0.967 -0.662 i(3D)4D 24 -0.427 i(3D)4F 21 0.330 i(3P)4F 20 30 1704558.694 1.065 -0.525 i(1D)2D 30 0.446 i(3P)4P 25 -0.315 i(1D)2P 35 31 1705830.557 1.311 -0.652 i(3P)4P 25 -0.477 i(1D)2D 30 0.287 i(3D)4P 26 32 1706894.841 1.374 -0.598 i(1P)2P 34 -0.405 i(3P)2P 36 0.359 i(3P)4P 25 33 1717163.012 1.047 0.470 i(3S)2D 31 0.468 i(3D)2D 33 0.416 i(3P)2P 36 34 1717681.661 1.095 0.466 i(1D)2P 35 -0.463 i(3D)2D 33 -0.414 i(3S)2D 31 35 1735562.108 1.180 0.649 i(3D)2P 37 0.461 i(3P)2D 32 -0.325 i(3P)2P 36 36 1742789.139 0.950 0.695 i(3P)2D 32 -0.407 i(3D)2P 37 -0.297 i(1P)2D 29 37 1772752.601 0.800 -0.972 i(1S)2D 28 0.156 i(3D)2D 33 0.134 i(3S)2D 31 37 VECTORS WRITTEN TO UNIT 3 15.04 J 2.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 247455.0 247455.028 0.0 1.200 3d 2D -0.999 D(1S)2D 1 0.038 i(1S)2D 29 2 451813.8 451813.750 0.0 1.200 4d 2D -1.000 E(1S)2D 2 3 546058.6 546058.630 0.0 1.200 5d 2D 1.000 F(1S)2D 3 4 596861.3 596861.245 -0.1 1.200 6d 2D -1.000 G(1S)2D 4 5 627287. 627290.118 3.1 1.200 7d 2D 1.000 H(1S)2D 5 6 646931. 646933.166 2.2 1.200 8d 2D 1.000 I(1S)2D 6 7 660341. 660339.532 -1.5 1.200 9d 2D -1.000 J(1S)2D 7 8 669897.794 1.200 -1.000 K(1S)2D 8 9 676947.919 1.200 1.000 L(1S)2D 9 10 682300.143 1.200 -1.000 M(1S)2D 10 11 686454.443 1.200 -1.000 N(1S)2D 11 12 689746.060 1.200 1.000 O(1S)2D 12 13 1411080.3 X1410829.931 -250.4 1.373 3s3P3p 4D -0.939 h(3P)4D 13 0.226 h(3P)4P 14 -0.200 h(1P)2D 15 14 1419195.4 X1419480.111 284.7 1.523 3s3P3p 4P -0.892 h(3P)4P 14 -0.368 h(1P)2D 15 -0.233 h(3P)2D 16 15 1428468.901 1.278 3s1P3p 2D 0.693 h(1P)2D 15 0.513 h(3P)2D 16 -0.385 h(3P)4P 14 16 1441239.314 1.201 -0.798 h(3P)2D 16 0.578 h(1P)2D 15 0.107 i(3P)2D 33 17 1661161.804 1.361 0.816 i(3S)4D 20 0.441 i(3P)4D 21 0.325 i(3D)4D 22 18 1670573.819 0.745 0.811 i(3D)4G 17 0.295 i(3S)2D 32 -0.238 i(3D)2D 34 19 1671009.576 1.039 -0.554 i(3S)2D 32 0.451 i(3D)2D 34 0.423 i(3D)4G 17 20 1681073.812 0.904 -0.503 i(3D)2F 28 -0.477 i(3P)4F 18 -0.450 i(1P)2F 25 J 2.5 21 1682163.688 0.990 0.504 i(3P)4F 18 0.473 i(3D)4F 19 -0.457 i(1P)2F 25 22 1685236.014 0.865 -0.612 i(3P)2F 27 -0.588 i(1D)2F 26 0.318 i(3D)2F 28 23 1686628.881 1.577 0.938 i(3D)4P 24 -0.226 i(3D)4D 22 0.185 i(3P)4P 23 24 1689762.988 1.345 -0.718 i(3P)4D 21 0.465 i(3S)4D 20 -0.311 i(3D)4D 22 25 1694743.045 1.184 0.489 i(3D)4F 19 -0.472 i(3D)4D 22 0.400 i(3P)4D 21 26 1695582.262 1.103 -0.433 i(1D)2F 26 -0.404 i(3D)4D 22 0.384 i(1P)2D 30 27 1697906.118 1.206 -0.615 i(1P)2D 30 -0.345 i(3D)4D 22 -0.287 i(3P)4P 23 28 1703034.591 1.076 0.448 i(1D)2F 26 -0.431 i(3D)4D 22 -0.402 i(3D)4F 19 29 1706049.939 1.443 0.779 i(3P)4P 23 0.314 i(1D)2D 31 -0.221 i(1P)2D 30 30 1707890.132 1.276 0.711 i(1D)2D 31 -0.444 i(3P)4P 23 0.347 i(3D)2D 34 31 1716833.407 1.196 0.690 i(3D)2D 34 0.632 i(3S)2D 32 0.197 i(1S)2D 29 32 1734228.255 1.041 -0.626 i(3P)2D 33 0.494 i(3P)2F 27 0.312 i(3D)2F 28 33 1740495.173 1.025 -0.595 i(3P)2D 33 -0.509 i(3P)2F 27 -0.336 i(3D)2F 28 34 1773429.620 1.199 -0.966 i(1S)2D 29 0.143 i(3S)2D 32 0.140 i(3D)2D 34 34 VECTORS WRITTEN TO UNIT 3 15.04 J 3.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 552115.0 552112.976 -2.0 0.889 5g 2G 1.000 P(1S)2G 1 2 600418.8 600417.681 -1.1 0.889 6g 2G 1.000 Q(1S)2G 2 3 629492.296 0.889 -1.000 R(1S)2G 3 4 648409.859 0.889 -1.000 S(1S)2G 4 5 661380.269 0.889 1.000 T(1S)2G 5 6 670656.626 0.889 1.000 U(1S)2G 6 7 677518.731 0.889 -1.000 V(1S)2G 7 8 682740.135 0.889 -1.000 W(1S)2G 8 9 686800.738 0.889 1.000 X(1S)2G 9 10 690024.290 0.889 -1.000 Y(1S)2G 10 11 1409630.9 X1409396.502 -234.4 1.430 3s3P3p 4D -0.998 h(3P)4D 11 -0.046 i(3D)4D 17 -0.037 i(3S)4D 15 12 1663248.494 1.416 -0.830 i(3S)4D 15 -0.378 i(3P)4D 16 -0.333 i(3D)4D 17 13 1668397.863 0.980 -0.893 i(3D)4G 12 -0.339 i(1D)2G 18 -0.200 i(3D)2G 19 14 1673724.419 1.120 -0.718 i(3D)2F 23 -0.431 i(1P)2F 20 0.336 i(3P)2F 22 15 1675537.194 1.003 0.653 i(1D)2G 18 0.401 i(3D)2G 19 0.306 i(3P)4F 13 16 1682787.869 1.171 -0.611 i(3P)4F 13 -0.578 i(3D)4F 14 -0.333 i(3D)4G 12 17 1684843.214 1.174 0.559 i(1P)2F 20 0.505 i(1D)2F 21 0.446 i(3P)2F 22 18 1688924.297 1.379 0.753 i(3P)4D 16 -0.359 i(3S)4D 15 0.315 i(3P)4F 13 19 1693439.905 1.287 0.627 i(3D)4F 14 -0.484 i(3P)4F 13 -0.387 i(3D)4D 17 20 1694695.830 1.351 0.751 i(3D)4D 17 0.323 i(1D)2F 21 -0.278 i(3P)4D 16 J 3.5 21 1705675.959 1.188 -0.595 i(1D)2F 21 0.446 i(1P)2F 20 -0.375 i(3D)2F 23 22 1727888.888 0.956 0.730 i(3D)2G 19 -0.449 i(1D)2G 18 -0.372 i(3P)2F 22 23 1737886.783 1.075 0.622 i(3P)2F 22 0.442 i(3D)2G 19 0.396 i(3D)2F 23 23 VECTORS WRITTEN TO UNIT 3 15.04 J 4.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 552115.0 552117.026 2.0 1.111 5g 2G 1.000 P(1S)2G 1 2 600418.8 600419.930 1.1 1.111 6g 2G 1.000 Q(1S)2G 2 3 629493.645 1.111 -1.000 R(1S)2G 3 4 648410.759 1.111 1.000 S(1S)2G 4 5 661381.169 1.111 1.000 T(1S)2G 5 6 670657.076 1.111 1.000 U(1S)2G 6 7 677519.181 1.111 -1.000 V(1S)2G 7 8 682740.585 1.111 1.000 W(1S)2G 8 9 686801.188 1.111 1.000 X(1S)2G 9 10 690024.290 1.111 1.000 Y(1S)2G 10 11 1667116.604 1.170 -0.948 i(3D)4G 11 -0.251 i(1D)2G 14 -0.140 i(3D)2G 15 12 1676373.983 1.217 0.614 i(1D)2G 14 0.526 i(3P)4F 12 0.441 i(3D)4F 13 13 1684480.157 1.230 0.542 i(1D)2G 14 -0.518 i(3P)4F 12 -0.493 i(3D)4F 13 14 1692063.632 1.334 0.747 i(3D)4F 13 -0.664 i(3P)4F 12 -0.034 i(3D)4G 11 15 1722896.936 1.111 0.857 i(3D)2G 15 -0.515 i(1D)2G 14 15 VECTORS WRITTEN TO UNIT 3 15.04 J 5.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 629569.9 629569.550 -0.3 0.923 7i 2I 1.000 Z(1S)2I 1 2 648463.050 0.923 1.000 a(1S)2I 2 3 661418.450 0.923 1.000 b(1S)2I 3 4 670685.500 0.923 1.000 c(1S)2I 4 5 677542.400 0.923 1.000 d(1S)2I 5 6 682757.900 0.923 1.000 e(1S)2I 6 7 686815.000 0.923 1.000 f(1S)2I 7 8 690036.800 0.923 1.000 g(1S)2I 8 9 1666178.667 1.273 1.000 i(3D)4G 9 9 VECTORS WRITTEN TO UNIT 3 15.04 J 6.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 629569.9 629570.200 0.3 1.077 7i 2I 1.000 Z(1S)2I 1 2 648463.700 1.077 1.000 a(1S)2I 2 3 661419.100 1.077 1.000 b(1S)2I 3 4 670685.500 1.077 1.000 c(1S)2I 4 5 677542.400 1.077 1.000 d(1S)2I 5 6 682757.900 1.077 1.000 e(1S)2I 6 7 686815.000 1.077 1.000 f(1S)2I 7 8 690036.800 1.077 1.000 g(1S)2I 8 8 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 19-AUG-2016 14:14:44.98 Accounting information: Buffered I/O count: 153 Peak working set size: 9456 Direct I/O count: 245 Peak virtual size: 322592 Page faults: 2070 Mounted volumes: 0 Charged CPU time: 0 00:00:00.20 Elapsed time: 0 00:00:02.27