$ 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 3801 $SET VERIFY=NOIMAGE $ASSIGN B3801E.PUN FOR007 $ASSIGN POOLQ:C3801E.EIG FOR003 $ASSIGN H3801E.HAM FOR001 $ASSIGN EAV3801E.DAT FOR066 $ASSIGN POOL:B3801E15 FOR015 $ASSIGN POOL:B3801E16 FOR016 $RUN CRAY:LEASTE NPAR 213 NJ 7 FIRSTJ 0.5 1 p 6 d 0 s 1 p 0 s 0 d 0 g 0 i 0 2 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 3 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 4 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 5 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 6 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 7 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 8 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 9 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 A p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 B p 6 d 1 s 0 p 0 s 0 d 0 g 0 i 0 C p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 D p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 E p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 F p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 G p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 H p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 I p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 J p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 K p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 L p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 M p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 N p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 O p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 P p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 Q p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 R p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 S p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 T p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 U p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 V p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 W p 6 d 0 s 0 p 0 s 0 d 0 g 0 i 1 X p 6 d 0 s 0 p 0 s 0 d 0 g 0 i 1 Y p 6 d 0 s 0 p 0 s 0 d 0 g 0 i 1 Z p 5 d 1 s 0 p 1 s 0 d 0 g 0 i 0 a p 5 d 0 s 1 p 1 s 0 d 0 g 0 i 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2S)2S 1 TOTAL 1 27 36 33 23 15 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 141 36 1 0 27 63 96 119 134 138 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 141 0 1Sansonetti, J.E. 2012. J.Phys.Chem.Ref.Data 42, 013102, 119 pp. 2 3 4 5 6 7 8 9 1 0 0 0 0.300 1.500 1 1.0 30 30 30 30 20 20 10 10 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 1 1.0 27 36 33 23 15 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 38.01 4p6 5s 4p6 6s 4p6 7s 4p6 8s 4p6 9s 4p6 10s 4p6 11s 4p6 12s 4p6 13s 4p6 14s 4p6 4d 4p6 5d 4p6 6d 4p6 7d 4p6 8d 4p6 9d 4p6 10d 4p6 11d 4p6 12d 4p6 13d 4p6 14d 4p6 5g 4p6 6g 4p6 7g 4p6 8g 4p6 9g 4p6 10g 4p6 11g 4p6 12g 4p6 13g 4p6 14g 4p6 7i 4p6 8i 4p6 9i 4p5 4d5p 4p5 5s5p SENORITY MIXING CORRECTIONS 0 0.5 0.00 4p6.5s 2S 4p6.5s 2S 0 0.5 47736.53 4p6.6s 2S 4p6.6s 2S 0 0.5 64964.10 4p6.7s 2S 4p6.7s 2S 0 0.5 73237.1 4p6.8s 2S 4p6.8s 2S 0 0.5 77857.6 4p6.9s 2S 4p6.9s 2S 0 0.5 80701.8 4p6.10s 2S 4p6.10s 2S 0 0.5 82576.1 4p6.11s 2S 4p6.11s 2S 0 0.5 83879.9 4p6.12s 2S 4p6.12s 2S 0 0.5 84819.1 4p6.13s 2S 4p6.13s 2S 0 -1.0 0 1.5 14555.90 4p6.4d 2D 4p6.4d 2D 0 1.5 53286.31 4p6.5d 2D 4p6.5d 2D 0 1.5 67522.87 4p6.6d 2D 4p6.6d 2D 0 1.5 74621.3 4p6.7d 2D 4p6.7d 2D 0 1.5 78688.8 4p6.8d 2D 4p6.8d 2D 0 1.5 81240.2 4p6.9d 2D 4p6.9d 2D 0 1.5 82953.9 4p6.10d 2D 4p6.10d 2D 0 1.5 84142.0 4p6.11d 2D 4p6.11d 2D 0 1.5 85015.5 4p6.12d 2D 4p6.12d 2D 0 1.5 85668.8 4p6.13d 2D 4p6.13d 2D 0 1.5 86174.6 4p6.14d 2D 4p6.14d 2D 0 -1.0 0 2.5 14836.24 4p6.4d 2D 4p6.4d 2D 0 2.5 53372.97 4p6.5d 2D 4p6.5d 2D 0 2.5 67563.15 4p6.6d 2D 4p6.6d 2D 0 2.5 74643.1 4p6.7d 2D 4p6.7d 2D 0 2.5 78702.4 4p6.8d 2D 4p6.8d 2D 0 2.5 81249.0 R 4p6.9d 2D 4p6.9d 2D 0 2.5 82951.5 4p6.10d 2D 4p6.10d 2D 0 2.5 84146.9 4p6.11d 2D 4p6.11d 2D 0 2.5 85015.5 4p6.12d 2D 4p6.12d 2D 0 2.5 85668.8 4p6.13d 2D 4p6.13d 2D 0 2.5 86174.6 4p6.14d 2D 4p6.14d 2D 0 -1.0 0 3.5 71357.8 4p6.5g 2G 4p6.5g 2G 0 3.5 76737.7 4p6.6g 2G 4p6.6g 2G 0 3.5 79984.3 4p6.7g 2G 4p6.7g 2G 0 3.5 82090.4 4p6.8g 2G 4p6.8g 2G 0 3.5 83533.8 P 4p6.9g 2G 4p6.9g 2G 0 3.5 84567.0 4p6.10g 2G 4p6.10g 2G 0 3.5 85330.3 4p6.11g 2G 4p6.11g 2G 0 -1.0 0 4.5 71357.8 4p6.5g 2G 4p6.5g 2G 0 4.5 76737.7 4p6.6g 2G 4p6.6g 2G 0 4.5 79984.3 4p6.7g 2G 4p6.7g 2G 0 4.5 82090.4 4p6.8g 2G 4p6.8g 2G 0 4.5 83533.8 P 4p6.9g 2G 4p6.9g 2G 0 4.5 84567.0 4p6.10g 2G 4p6.10g 2G 0 4.5 85330.3 4p6.11g 2G 4p6.11g 2G 0 -1.0 0 -1.0 0 -1.0 213 14.0 27 LEAST SQUARES 1 1 EAV 2495.6 14.0 0.0 1.000 0 0.0 0 4p6 5s 2 2 EAV 47829.0 14.0 47751.7 1.000 0 360.0 0 4p6 6s 3 3 EAV 64996.5 14.0 64778.8 1.000 0 360.0 0 4p6 7s 4 4 EAV 73252.8 14.0 72968.5 1.000 0 360.0 0 4p6 8s 5 5 EAV 77866.5 14.0 77552.0 1.000 0 360.0 0 4p6 9s 6 6 EAV 80707.3 14.0 80375.6 1.000 0 360.0 0 4p6 10s 7 7 EAV 82579.8 14.0 82240.0 1.000 0 360.0 0 4p6 11s 8 8 EAV 83882.5 14.0 83534.0 1.000 0 360.0 0 4p6 12s 9 9 EAV 84821.0 14.0 84471.4 1.000 0 360.0 0 4p6 13s 10 A EAV 85531.4 0.0 85171.4 FIXEDHF 1.000 0 360.0 0 4p6 14s 11 B EAV 15753.9 10.0 14491.8 1.000 0 360.0 0 4p6 4d 12 B ZETA 2 146.8 0.0 146.8 FIXEDHF 1.000 0 0.0 0 13 C EAV 53510.1 10.0 53310.3 1.000 0 360.0 0 4p6 5d 14 C ZETA 6 35.1 0.0 35.1 FIXEDHF 1.000 0 0.0 0 15 D EAV 67625.7 10.0 67339.5 1.000 0 360.0 0 4p6 6d 16 D ZETA 6 15.7 0.0 15.7 FIXEDHF 1.000 0 0.0 0 17 E EAV 74677.5 10.0 74355.3 1.000 0 360.0 0 4p6 7d 18 E ZETA 6 8.5 0.0 8.5 FIXEDHF 1.000 0 0.0 0 19 F EAV 78723.2 10.0 78386.5 1.000 0 360.0 0 4p6 8d 20 F ZETA 6 5.2 0.0 5.2 FIXEDHF 1.000 0 0.0 0 21 G EAV 81262.7 10.0 80916.8 1.000 0 360.0 0 4p6 9d 22 G ZETA 6 3.4 0.0 3.4 FIXEDHF 1.000 0 0.0 0 23 H EAV 82965.1 10.0 82611.3 1.000 0 360.0 0 4p6 10d 24 H ZETA 6 2.3 0.0 2.3 FIXEDHF 1.000 0 0.0 0 25 I EAV 84153.4 10.0 83798.7 1.000 0 360.0 0 4p6 11d 26 I ZETA 6 1.7 0.0 1.7 FIXEDHF 1.000 0 0.0 0 27 J EAV 85022.1 10.0 84666.3 1.000 0 360.0 0 4p6 12d 28 J ZETA 6 1.2 0.0 1.2 FIXEDHF 1.000 0 0.0 0 29 K EAV 85673.8 10.0 85319.1 1.000 0 360.0 0 4p6 13d 30 K ZETA 6 0.9 0.0 0.9 FIXEDHF 1.000 0 0.0 0 31 L EAV 86178.5 10.0 85822.1 1.000 0 360.0 0 4p6 14d 32 L ZETA 6 0.7 0.0 0.7 FIXEDHF 1.000 0 0.0 0 33 M EAV 71357.9 10.0 71002.2 1.000 0 360.0 0 4p6 5g 34 M ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 35 N EAV 76737.7 10.0 76374.4 1.000 0 360.0 0 4p6 6g 36 N ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 37 O EAV 79984.3 10.0 79619.4 1.000 0 360.0 0 4p6 7g 38 O ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 39 P EAV 82090.4 10.0 81725.6 1.000 0 360.0 0 4p6 8g 40 P ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 Q EAV 83533.8 10.0 83170.9 1.000 0 360.0 0 4p6 9g 42 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 R EAV 84567.0 10.0 84202.6 1.000 0 360.0 0 4p6 10g 44 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 S EAV 85330.3 10.0 84966.5 1.000 0 360.0 0 4p6 11g 46 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 T EAV 85908.1 0.0 85548.1 FIXEDHF 1.000 0 360.0 0 4p6 12g 48 T ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 U EAV 86360.9 0.0 86000.9 FIXEDHF 1.000 0 360.0 0 4p6 13g 50 U ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 V EAV 86720.1 0.0 86360.1 FIXEDHF 1.000 0 360.0 0 4p6 14g 52 V ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 W EAV 80003.5 0.0 79643.5 FIXEDHF 1.000 0 360.0 0 4p6 7i 54 W ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 X EAV 82103.7 0.0 81743.7 FIXEDHF 1.000 0 360.0 0 4p6 8i 56 X ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 Y EAV 83543.6 0.0 83183.6 FIXEDHF 1.000 0 360.0 0 4p6 9i 58 Y ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 Z EAV 211717.7 0.0 211717.7 FIXEDHF 1.000 0 0.0 0 4p5 4d5p 60 Z ZETA 1 6533.3 0.0 6533.3 FIXEDHF 1.000 0 0.0 0 61 Z ZETA 2 255.8 0.0 255.8 FIXEDHF 1.000 0 0.0 0 62 Z ZETA 4 700.0 0.0 700.0 FIXEDHF 1.000 0 0.0 0 63 Z F2(12) 34539.0 0.0 43173.7 FIXEDHF 0.800 0 0.0 0 64 Z F2(14) 9309.7 0.0 11637.1 FIXEDHF 0.800 0 0.0 0 65 Z F2(24) 14226.8 0.0 17783.5 FIXEDHF 0.800 0 0.0 0 66 Z G1(12) 40214.8 0.0 50268.5 FIXEDHF 0.800 0 0.0 0 67 Z G3(12) 24276.7 0.0 30345.9 FIXEDHF 0.800 0 0.0 0 68 Z G0(14) 2603.4 0.0 3254.3 FIXEDHF 0.800 0 0.0 0 69 Z G2(14) 2814.7 0.0 3518.4 FIXEDHF 0.800 0 0.0 0 70 Z G1(24) 8241.4 0.0 10301.8 FIXEDHF 0.800 0 0.0 0 71 Z G3(24) 6369.4 0.0 7961.8 FIXEDHF 0.800 0 0.0 0 72 a EAV 208426.1 0.0 208426.1 FIXEDHF 1.000 0 0.0 0 4p5 5s5p 73 a ZETA 1 6689.7 0.0 6689.7 FIXEDHF 1.000 0 0.0 0 74 a ZETA 4 823.8 0.0 823.8 FIXEDHF 1.000 0 0.0 0 75 a F2(14) 10477.0 0.0 13096.3 FIXEDHF 0.800 0 0.0 0 76 a G1(13) 4388.2 0.0 5485.3 FIXEDHF 0.800 0 0.0 0 77 a G0(14) 2883.0 0.0 3603.7 FIXEDHF 0.800 0 0.0 0 78 a G2(14) 3186.5 0.0 3983.1 FIXEDHF 0.800 0 0.0 0 79 a G1(34) 24182.3 0.0 30227.9 FIXEDHF 0.800 0 0.0 0 80 1Z 1D1324 18082.0 0.0 22602.5 FIXEDHF 0.800 0 0.0 0 4p6 5s -4p5 4d5p 81 1Z 2E1324 3213.6 0.0 4017.0 FIXEDHF 0.800 0 0.0 0 82 1a 0D1114 1721.2 0.0 2151.5 FIXEDHF 0.800 0 0.0 0 4p6 5s -4p5 5s5p 83 1a 2D1114 8095.4 0.0 10119.2 FIXEDHF 0.800 0 0.0 0 84 1a 1D1334 -6113.6 0.0 -7642.0 FIXEDHF 0.800 0 0.0 0 85 1a 0E1334 -925.4 0.0 -1156.8 FIXEDHF 0.800 0 0.0 0 86 2Z 1D1524 3179.6 0.0 3974.5 FIXEDHF 0.800 0 0.0 0 4p6 6s -4p5 4d5p 87 2Z 2E1524 1180.6 0.0 1475.7 FIXEDHF 0.800 0 0.0 0 88 2a 1D1534 -529.2 0.0 -661.5 FIXEDHF 0.800 0 0.0 0 4p6 6s -4p5 5s5p 89 2a 0E1534 997.0 0.0 1246.3 FIXEDHF 0.800 0 0.0 0 90 3Z 1D1524 1682.3 0.0 2102.9 FIXEDHF 0.800 0 0.0 0 4p6 7s -4p5 4d5p 91 3Z 2E1524 681.3 0.0 851.6 FIXEDHF 0.800 0 0.0 0 92 3a 1D1534 -140.2 0.0 -175.2 FIXEDHF 0.800 0 0.0 0 4p6 7s -4p5 5s5p 93 3a 0E1534 636.2 0.0 795.3 FIXEDHF 0.800 0 0.0 0 94 4Z 1D1524 1103.0 0.0 1378.7 FIXEDHF 0.800 0 0.0 0 4p6 8s -4p5 4d5p 95 4Z 2E1524 463.8 0.0 579.7 FIXEDHF 0.800 0 0.0 0 96 4a 1D1534 -45.3 0.0 -56.6 FIXEDHF 0.800 0 0.0 0 4p6 8s -4p5 5s5p 97 4a 0E1534 453.9 0.0 567.4 FIXEDHF 0.800 0 0.0 0 98 5Z 1D1524 801.8 0.0 1002.2 FIXEDHF 0.800 0 0.0 0 4p6 9s -4p5 4d5p 99 5Z 2E1524 344.1 0.0 430.1 FIXEDHF 0.800 0 0.0 0 100 5a 1D1534 -13.0 0.0 -16.3 FIXEDHF 0.800 0 0.0 0 4p6 9s -4p5 5s5p 101 5a 0E1534 345.7 0.0 432.1 FIXEDHF 0.800 0 0.0 0 102 6Z 1D1524 619.5 0.0 774.4 FIXEDHF 0.800 0 0.0 0 4p6 10s -4p5 4d5p 103 6Z 2E1524 269.3 0.0 336.6 FIXEDHF 0.800 0 0.0 0 104 6a 1D1534 -0.2 0.0 -0.3 FIXEDHF 0.800 0 0.0 0 4p6 10s -4p5 5s5p 105 6a 0E1534 275.0 0.0 343.7 FIXEDHF 0.800 0 0.0 0 106 7Z 1D1524 498.5 0.0 623.1 FIXEDHF 0.800 0 0.0 0 4p6 11s -4p5 4d5p 107 7Z 2E1524 218.6 0.0 273.2 FIXEDHF 0.800 0 0.0 0 108 7a 1D1534 5.3 0.0 6.6 FIXEDHF 0.800 0 0.0 0 4p6 11s -4p5 5s5p 109 7a 0E1534 225.6 0.0 282.0 FIXEDHF 0.800 0 0.0 0 110 8Z 1D1524 413.0 0.0 516.3 FIXEDHF 0.800 0 0.0 0 4p6 12s -4p5 4d5p 111 8Z 2E1524 182.2 0.0 227.7 FIXEDHF 0.800 0 0.0 0 112 8a 1D1534 7.6 0.0 9.5 FIXEDHF 0.800 0 0.0 0 4p6 12s -4p5 5s5p 113 8a 0E1534 189.5 0.0 236.9 FIXEDHF 0.800 0 0.0 0 114 9Z 1D1524 349.8 0.0 437.2 FIXEDHF 0.800 0 0.0 0 4p6 13s -4p5 4d5p 115 9Z 2E1524 155.0 0.0 193.8 FIXEDHF 0.800 0 0.0 0 116 9a 1D1534 8.5 0.0 10.6 FIXEDHF 0.800 0 0.0 0 4p6 13s -4p5 5s5p 117 9a 0E1534 162.1 0.0 202.6 FIXEDHF 0.800 0 0.0 0 118 AZ 1D1524 301.4 0.0 376.7 FIXEDHF 0.800 0 0.0 0 4p6 14s -4p5 4d5p 119 AZ 2E1524 134.1 0.0 167.6 FIXEDHF 0.800 0 0.0 0 120 Aa 1D1534 8.6 0.0 10.8 FIXEDHF 0.800 0 0.0 0 4p6 14s -4p5 5s5p 121 Aa 0E1534 140.8 0.0 176.0 FIXEDHF 0.800 0 0.0 0 122 BZ 0D1114 1662.6 0.0 2078.3 FIXEDHF 0.800 0 0.0 0 4p6 4d -4p5 4d5p 123 BZ 2D1114 7882.9 0.0 9853.6 FIXEDHF 0.800 0 0.0 0 124 BZ 1D1224 -9271.0 0.0 -11588.7 FIXEDHF 0.800 0 0.0 0 125 BZ 3D1224 -2907.0 0.0 -3633.7 FIXEDHF 0.800 0 0.0 0 126 BZ 0E1224 -584.8 0.0 -731.0 FIXEDHF 0.800 0 0.0 0 127 BZ 2E1224 296.2 0.0 370.2 FIXEDHF 0.800 0 0.0 0 128 Ba 1D1234 6478.8 0.0 8098.5 FIXEDHF 0.800 0 0.0 0 4p6 4d -4p5 5s5p 129 Ba 2E1234 4133.5 0.0 5166.9 FIXEDHF 0.800 0 0.0 0 130 CZ 1D1624 3651.7 0.0 4564.6 FIXEDHF 0.800 0 0.0 0 4p6 5d -4p5 4d5p 131 CZ 3D1624 774.6 0.0 968.3 FIXEDHF 0.800 0 0.0 0 132 CZ 0E1624 2217.9 0.0 2772.4 FIXEDHF 0.800 0 0.0 0 133 CZ 2E1624 989.0 0.0 1236.2 FIXEDHF 0.800 0 0.0 0 134 Ca 1D1634 -346.6 0.0 -433.3 FIXEDHF 0.800 0 0.0 0 4p6 5d -4p5 5s5p 135 Ca 2E1634 551.4 0.0 689.2 FIXEDHF 0.800 0 0.0 0 136 DZ 1D1624 2945.7 0.0 3682.1 FIXEDHF 0.800 0 0.0 0 4p6 6d -4p5 4d5p 137 DZ 3D1624 824.0 0.0 1030.0 FIXEDHF 0.800 0 0.0 0 138 DZ 0E1624 1402.2 0.0 1752.7 FIXEDHF 0.800 0 0.0 0 139 DZ 2E1624 777.4 0.0 971.7 FIXEDHF 0.800 0 0.0 0 140 Da 1D1634 -481.4 0.0 -601.7 FIXEDHF 0.800 0 0.0 0 4p6 6d -4p5 5s5p 141 Da 2E1634 174.6 0.0 218.2 FIXEDHF 0.800 0 0.0 0 142 EZ 1D1624 2284.5 0.0 2855.6 FIXEDHF 0.800 0 0.0 0 4p6 7d -4p5 4d5p 143 EZ 3D1624 697.0 0.0 871.2 FIXEDHF 0.800 0 0.0 0 144 EZ 0E1624 1003.5 0.0 1254.4 FIXEDHF 0.800 0 0.0 0 145 EZ 2E1624 606.6 0.0 758.2 FIXEDHF 0.800 0 0.0 0 146 Ea 1D1634 -412.6 0.0 -515.8 FIXEDHF 0.800 0 0.0 0 4p6 7d -4p5 5s5p 147 Ea 2E1634 73.0 0.0 91.2 FIXEDHF 0.800 0 0.0 0 148 FZ 1D1624 1817.4 0.0 2271.7 FIXEDHF 0.800 0 0.0 0 4p6 8d -4p5 4d5p 149 FZ 3D1624 578.3 0.0 722.9 FIXEDHF 0.800 0 0.0 0 150 FZ 0E1624 768.2 0.0 960.2 FIXEDHF 0.800 0 0.0 0 151 FZ 2E1624 485.6 0.0 607.0 FIXEDHF 0.800 0 0.0 0 152 Fa 1D1634 -341.4 0.0 -426.7 FIXEDHF 0.800 0 0.0 0 4p6 8d -4p5 5s5p 153 Fa 2E1634 35.0 0.0 43.7 FIXEDHF 0.800 0 0.0 0 154 GZ 1D1624 1484.9 0.0 1856.1 FIXEDHF 0.800 0 0.0 0 4p6 9d -4p5 4d5p 155 GZ 3D1624 484.2 0.0 605.3 FIXEDHF 0.800 0 0.0 0 156 GZ 0E1624 614.1 0.0 767.6 FIXEDHF 0.800 0 0.0 0 157 GZ 2E1624 398.7 0.0 498.4 FIXEDHF 0.800 0 0.0 0 158 Ga 1D1634 -284.5 0.0 -355.6 FIXEDHF 0.800 0 0.0 0 4p6 9d -4p5 5s5p 159 Ga 2E1634 17.9 0.0 22.4 FIXEDHF 0.800 0 0.0 0 160 HZ 1D1624 1241.0 0.0 1551.2 FIXEDHF 0.800 0 0.0 0 4p6 10d -4p5 4d5p 161 HZ 3D1624 411.0 0.0 513.8 FIXEDHF 0.800 0 0.0 0 162 HZ 0E1624 506.2 0.0 632.7 FIXEDHF 0.800 0 0.0 0 163 HZ 2E1624 334.4 0.0 418.0 FIXEDHF 0.800 0 0.0 0 164 Ha 1D1634 -240.5 0.0 -300.6 FIXEDHF 0.800 0 0.0 0 4p6 10d -4p5 5s5p 165 Ha 2E1634 9.4 0.0 11.8 FIXEDHF 0.800 0 0.0 0 166 IZ 1D1624 1056.5 0.0 1320.6 FIXEDHF 0.800 0 0.0 0 4p6 11d -4p5 4d5p 167 IZ 3D1624 353.8 0.0 442.2 FIXEDHF 0.800 0 0.0 0 168 IZ 0E1624 427.0 0.0 533.7 FIXEDHF 0.800 0 0.0 0 169 IZ 2E1624 285.4 0.0 356.8 FIXEDHF 0.800 0 0.0 0 170 Ia 1D1634 -206.2 0.0 -257.8 FIXEDHF 0.800 0 0.0 0 4p6 11d -4p5 5s5p 171 Ia 2E1634 4.9 0.0 6.1 FIXEDHF 0.800 0 0.0 0 172 JZ 1D1624 913.2 0.0 1141.5 FIXEDHF 0.800 0 0.0 0 4p6 12d -4p5 4d5p 173 JZ 3D1624 308.2 0.0 385.2 FIXEDHF 0.800 0 0.0 0 174 JZ 0E1624 366.6 0.0 458.3 FIXEDHF 0.800 0 0.0 0 175 JZ 2E1624 247.2 0.0 309.0 FIXEDHF 0.800 0 0.0 0 176 Ja 1D1634 -179.2 0.0 -224.0 FIXEDHF 0.800 0 0.0 0 4p6 12d -4p5 5s5p 177 Ja 2E1634 2.3 0.0 2.9 FIXEDHF 0.800 0 0.0 0 178 KZ 1D1624 799.4 0.0 999.3 FIXEDHF 0.800 0 0.0 0 4p6 13d -4p5 4d5p 179 KZ 3D1624 271.3 0.0 339.1 FIXEDHF 0.800 0 0.0 0 180 KZ 0E1624 319.4 0.0 399.3 FIXEDHF 0.800 0 0.0 0 181 KZ 2E1624 216.8 0.0 271.0 FIXEDHF 0.800 0 0.0 0 182 Ka 1D1634 -157.4 0.0 -196.8 FIXEDHF 0.800 0 0.0 0 4p6 13d -4p5 5s5p 183 Ka 2E1634 0.7 0.0 0.9 FIXEDHF 0.800 0 0.0 0 184 LZ 1D1624 707.4 0.0 884.2 FIXEDHF 0.800 0 0.0 0 4p6 14d -4p5 4d5p 185 LZ 3D1624 241.1 0.0 301.4 FIXEDHF 0.800 0 0.0 0 186 LZ 0E1624 281.7 0.0 352.1 FIXEDHF 0.800 0 0.0 0 187 LZ 2E1624 192.1 0.0 240.1 FIXEDHF 0.800 0 0.0 0 188 La 1D1634 -139.7 0.0 -174.6 FIXEDHF 0.800 0 0.0 0 4p6 14d -4p5 5s5p 189 La 2E1634 -0.2 0.0 -0.2 FIXEDHF 0.800 0 0.0 0 190 MZ 3D1724 337.5 0.0 421.9 FIXEDHF 0.800 0 0.0 0 4p6 5g -4p5 4d5p 191 MZ 2E1724 99.0 0.0 123.8 FIXEDHF 0.800 0 0.0 0 192 NZ 3D1724 331.0 0.0 413.8 FIXEDHF 0.800 0 0.0 0 4p6 6g -4p5 4d5p 193 NZ 2E1724 98.6 0.0 123.3 FIXEDHF 0.800 0 0.0 0 194 OZ 3D1724 294.7 0.0 368.4 FIXEDHF 0.800 0 0.0 0 4p6 7g -4p5 4d5p 195 OZ 2E1724 88.6 0.0 110.7 FIXEDHF 0.800 0 0.0 0 196 PZ 3D1724 257.4 0.0 321.8 FIXEDHF 0.800 0 0.0 0 4p6 8g -4p5 4d5p 197 PZ 2E1724 77.8 0.0 97.2 FIXEDHF 0.800 0 0.0 0 198 QZ 3D1724 224.8 0.0 281.0 FIXEDHF 0.800 0 0.0 0 4p6 9g -4p5 4d5p 199 QZ 2E1724 68.2 0.0 85.2 FIXEDHF 0.800 0 0.0 0 200 RZ 3D1724 197.5 0.0 246.9 FIXEDHF 0.800 0 0.0 0 4p6 10g -4p5 4d5p 201 RZ 2E1724 60.0 0.0 75.0 FIXEDHF 0.800 0 0.0 0 202 SZ 3D1724 174.7 0.0 218.4 FIXEDHF 0.800 0 0.0 0 4p6 11g -4p5 4d5p 203 SZ 2E1724 53.2 0.0 66.5 FIXEDHF 0.800 0 0.0 0 204 TZ 3D1724 155.8 0.0 194.7 FIXEDHF 0.800 0 0.0 0 4p6 12g -4p5 4d5p 205 TZ 2E1724 47.5 0.0 59.4 FIXEDHF 0.800 0 0.0 0 206 UZ 3D1724 139.8 0.0 174.7 FIXEDHF 0.800 0 0.0 0 4p6 13g -4p5 4d5p 207 UZ 2E1724 42.6 0.0 53.3 FIXEDHF 0.800 0 0.0 0 208 VZ 3D1724 126.2 0.0 157.8 FIXEDHF 0.800 0 0.0 0 4p6 14g -4p5 4d5p 209 VZ 2E1724 38.6 0.0 48.2 FIXEDHF 0.800 0 0.0 0 210 Za 2D1213 -7632.2 0.0 -9540.2 FIXEDHF 0.800 0 0.0 0 4p5 4d5p -4p5 5s5p 211 Za 1E1213 -1149.4 0.0 -1436.8 FIXEDHF 0.800 0 0.0 0 212 Za 2D2434 -13423.9 0.0 -16779.9 FIXEDHF 0.800 0 0.0 0 213 Za 1E2434 -13153.8 0.0 -16442.3 FIXEDHF 0.800 0 0.0 0 38.01 J 0.5 1 4p6 5s 2 4p6 6s 3 4p6 7s 4 4p6 8s 5 4p6 9s 6 4p6 10s 7 4p6 11s 8 4p6 12s 9 4p6 13s A 4p6 14s B 4p6 4d C 4p6 5d D 4p6 6d E 4p6 7d F 4p6 8d G 4p6 9d H 4p6 10d I 4p6 11d J 4p6 12d K 4p6 13d L 4p6 14d M 4p6 5g N 4p6 6g O 4p6 7g P 4p6 8g Q 4p6 9g R 4p6 10g S 4p6 11g T 4p6 12g U 4p6 13g V 4p6 14g W 4p6 7i X 4p6 8i Y 4p6 9i Z 4p5 4d5p a 4p5 5s5p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.00 -0.006 0.0 2.002 4p6.5s 2S 0.995 1(2S)2S 1 0.078 Z(1P)2S 20 0.049 a(1P)2S 26 2 47736.53 47736.576 0.0 2.002 4p6.6s 2S -1.000 2(1S)2S 2 3 64964.10 64964.089 0.0 2.002 4p6.7s 2S 1.000 3(1S)2S 3 4 73237.1 73237.120 0.0 2.002 4p6.8s 2S 1.000 4(1S)2S 4 5 77857.6 77857.620 0.0 2.002 4p6.9s 2S 1.000 5(1S)2S 5 6 80701.8 80701.759 0.0 2.002 4p6.10s 2S 1.000 6(1S)2S 6 7 82576.1 82576.104 0.0 2.002 4p6.11s 2S 1.000 7(1S)2S 7 8 83879.9 83879.909 0.0 2.002 4p6.12s 2S 1.000 8(1S)2S 8 9 84819.1 84819.115 0.0 2.002 4p6.13s 2S -1.000 9(1S)2S 9 10 85529.986 2.002 1.000 A(1S)2S 10 11 193896.009 0.077 0.909 Z(3P)4D 11 0.267 Z(3P)2P 18 0.203 a(3P)4D 22 12 196706.580 0.948 0.784 Z(3P)2P 18 0.357 Z(3P)2S 21 0.241 Z(3P)4P 14 13 197517.887 2.410 0.912 Z(3P)4P 14 -0.328 Z(3P)2P 18 0.141 Z(3P)2S 21 14 200417.786 1.795 -0.598 Z(3P)2S 21 -0.472 a(1P)2S 26 0.369 a(3P)4P 23 15 202264.548 0.720 -0.556 a(1P)2P 24 0.503 a(3P)4D 22 -0.366 a(3P)2P 25 16 206618.231 1.134 -0.600 Z(3F)4D 13 -0.569 a(3P)4P 23 -0.310 Z(3D)4D 12 17 207235.346 1.226 0.523 a(3P)4P 23 -0.499 Z(3F)4D 13 -0.335 a(1P)2P 24 18 209391.779 0.266 0.761 a(3P)4D 22 0.445 a(1P)2P 24 0.343 a(3P)2P 25 19 214124.168 1.477 0.469 a(1P)2S 26 -0.459 Z(3D)2P 19 -0.427 Z(3P)2S 21 20 214811.440 1.178 -0.527 a(1P)2S 26 -0.524 Z(3D)2P 19 -0.429 Z(3D)4D 12 J 0.5 21 215736.988 0.600 0.649 Z(3D)4D 12 0.485 Z(1D)2P 17 -0.309 a(1P)2S 26 22 218651.799 0.606 -0.617 Z(1D)2P 17 -0.517 Z(3F)4D 13 -0.337 Z(3D)2P 19 23 219464.502 2.252 -0.805 Z(3D)4P 15 0.349 Z(1D)2P 17 -0.246 Z(3P)2S 21 24 224388.248 1.838 0.905 a(3P)2S 27 -0.282 Z(3D)2P 19 0.151 Z(1D)2P 17 25 234674.338 0.819 -0.611 a(3P)2P 25 -0.446 Z(3D)2P 19 0.386 a(1P)2P 24 26 254850.279 0.668 -0.977 Z(1P)2P 16 -0.120 a(3P)2P 25 -0.108 Z(3D)2P 19 27 259438.425 1.994 0.979 Z(1P)2S 20 -0.137 a(3P)2S 27 0.076 Z(3D)4P 15 27 VECTORS WRITTEN TO UNIT 3 38.01 J 1.5 1 4p6 5s 2 4p6 6s 3 4p6 7s 4 4p6 8s 5 4p6 9s 6 4p6 10s 7 4p6 11s 8 4p6 12s 9 4p6 13s A 4p6 14s B 4p6 4d C 4p6 5d D 4p6 6d E 4p6 7d F 4p6 8d G 4p6 9d H 4p6 10d I 4p6 11d J 4p6 12d K 4p6 13d L 4p6 14d M 4p6 5g N 4p6 6g O 4p6 7g P 4p6 8g Q 4p6 9g R 4p6 10g S 4p6 11g T 4p6 12g U 4p6 13g V 4p6 14g W 4p6 7i X 4p6 8i Y 4p6 9i Z 4p5 4d5p a 4p5 5s5p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 14555.90 14514.198 -41.7 0.800 4p6.4d 2D 0.998 B(2D)2D 1 0.038 Z(1P)2D 20 0.033 Z(3F)2D 25 2 53286.31 53284.777 -1.5 0.800 4p6.5d 2D -0.999 C(1S)2D 2 3 67522.87 67522.863 0.0 0.800 4p6.6d 2D 1.000 D(1S)2D 3 4 74621.3 74621.216 -0.1 0.800 4p6.7d 2D 1.000 E(1S)2D 4 5 78688.8 78688.891 0.1 0.800 4p6.8d 2D 1.000 F(1S)2D 5 6 81240.2 81240.266 0.1 0.800 4p6.9d 2D -1.000 G(1S)2D 6 7 82953.9 82949.704 -4.2 0.800 4p6.10d 2D 1.000 H(1S)2D 7 8 84142.0 84142.278 0.3 0.800 4p6.11d 2D -1.000 I(1S)2D 8 9 85015.5 85013.948 -1.6 0.800 4p6.12d 2D -1.000 J(1S)2D 9 10 85668.8 85667.623 -1.2 0.800 4p6.13d 2D 1.000 K(1S)2D 10 11 86174.6 86173.713 -0.9 0.800 4p6.14d 2D -1.000 L(1S)2D 11 12 193869.192 1.958 -0.771 a(3P)4S 32 -0.544 Z(3P)4S 19 0.244 a(3P)4P 31 13 194608.891 1.196 -0.889 Z(3P)4D 14 -0.291 a(3P)4D 30 -0.211 Z(3F)4D 16 14 197388.532 1.339 -0.771 Z(3P)2P 28 0.365 Z(3P)4P 17 -0.303 Z(3P)2D 23 15 198382.477 1.625 -0.830 Z(3P)4P 17 -0.332 Z(3P)2P 28 -0.229 a(3P)4P 31 16 200504.208 1.043 -0.536 a(3P)4D 30 -0.518 a(1P)2D 33 -0.359 a(3P)2D 34 17 202069.824 1.305 -0.518 a(3P)4P 31 -0.431 Z(3P)2D 23 -0.344 a(1P)2P 35 18 202548.883 0.958 0.634 Z(3P)2D 23 -0.441 a(1P)2D 33 -0.316 Z(3F)2D 25 19 203746.949 1.801 0.722 Z(3P)4S 19 -0.444 a(3P)4S 32 -0.266 a(1P)2P 35 20 204816.671 0.969 0.504 Z(3F)4F 13 -0.491 Z(3F)4D 16 -0.319 Z(1D)2D 21 J 1.5 21 206894.678 1.054 -0.572 Z(3F)4D 16 0.357 Z(1D)2D 21 0.342 Z(3D)2P 29 22 208797.611 0.773 0.679 Z(3F)4F 13 0.285 Z(3F)4D 16 0.264 Z(3D)2P 29 23 210072.346 1.199 0.689 a(3P)4D 30 -0.401 a(1P)2D 33 0.367 a(3P)4P 31 24 211150.745 1.545 -0.572 a(1P)2P 35 0.556 a(3P)4P 31 -0.364 a(3P)2P 36 25 212919.547 0.941 -0.504 Z(3D)2D 24 0.503 Z(1F)2D 22 -0.361 Z(3D)4D 15 26 213182.119 0.791 0.513 Z(1D)2D 21 -0.442 Z(3D)4F 12 0.396 Z(3F)4F 13 27 214414.705 0.638 -0.812 Z(3D)4F 12 -0.214 Z(1D)2D 21 0.201 Z(3D)2D 24 28 215321.964 1.033 0.391 Z(3F)2D 25 0.383 Z(3D)2P 29 -0.381 a(3P)2D 34 29 216372.858 1.267 -0.538 Z(3D)4D 15 -0.462 Z(3D)4P 18 -0.407 Z(1D)2P 27 30 219132.766 1.081 0.405 Z(1D)2D 21 0.400 Z(1D)2P 27 0.398 Z(3F)4D 16 31 220068.158 1.585 0.716 Z(3D)4P 18 -0.526 Z(1D)2P 27 0.235 Z(3P)4S 19 32 222988.281 0.851 0.516 Z(3D)2D 24 0.456 Z(1F)2D 22 0.441 Z(3F)2D 25 33 227163.405 1.188 -0.517 a(3P)2P 36 -0.491 Z(3D)2P 29 0.345 a(1P)2P 35 34 235081.298 0.939 -0.576 a(3P)2D 34 -0.380 Z(3F)2D 25 0.331 a(1P)2D 33 35 254742.842 1.115 0.762 Z(1P)2P 26 -0.630 Z(1P)2D 20 -0.077 Z(3D)2D 24 36 255506.915 1.014 0.765 Z(1P)2D 20 0.628 Z(1P)2P 26 0.067 Z(3D)4F 12 36 VECTORS WRITTEN TO UNIT 3 38.01 J 2.5 1 4p6 5s 2 4p6 6s 3 4p6 7s 4 4p6 8s 5 4p6 9s 6 4p6 10s 7 4p6 11s 8 4p6 12s 9 4p6 13s A 4p6 14s B 4p6 4d C 4p6 5d D 4p6 6d E 4p6 7d F 4p6 8d G 4p6 9d H 4p6 10d I 4p6 11d J 4p6 12d K 4p6 13d L 4p6 14d M 4p6 5g N 4p6 6g O 4p6 7g P 4p6 8g Q 4p6 9g R 4p6 10g S 4p6 11g T 4p6 12g U 4p6 13g V 4p6 14g W 4p6 7i X 4p6 8i Y 4p6 9i Z 4p5 4d5p a 4p5 5s5p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 14836.24 14877.960 41.7 1.200 4p6.4d 2D 0.998 B(2D)2D 1 0.039 Z(1P)2D 24 0.033 Z(3F)2D 29 2 53372.97 53374.493 1.5 1.200 4p6.5d 2D -0.999 C(1S)2D 2 3 67563.15 67563.200 0.0 1.200 4p6.6d 2D 1.000 D(1S)2D 3 4 74643.1 74643.103 0.0 1.200 4p6.7d 2D 1.000 E(1S)2D 4 5 78702.4 78702.291 -0.1 1.200 4p6.8d 2D 1.000 F(1S)2D 5 6 81249.0 R 81249.033 0.0 1.200 4p6.9d 2D -1.000 G(1S)2D 6 7 82951.5 82955.640 4.1 1.200 4p6.10d 2D -1.000 H(1S)2D 7 8 84146.9 84146.661 -0.2 1.200 4p6.11d 2D 1.000 I(1S)2D 8 9 85015.5 85017.048 1.5 1.200 4p6.12d 2D 1.000 J(1S)2D 9 10 85668.8 85669.948 1.1 1.200 4p6.13d 2D -1.000 K(1S)2D 10 11 86174.6 86175.521 0.9 1.200 4p6.14d 2D -1.000 L(1S)2D 11 12 195413.353 1.363 -0.791 Z(3P)4D 15 -0.460 a(3P)4D 30 -0.288 Z(3F)4D 17 13 199258.986 1.487 -0.746 Z(3P)4P 18 0.310 a(3P)4D 30 0.297 Z(3P)2D 27 14 200646.176 1.331 -0.495 Z(3P)4P 18 -0.370 a(3P)4D 30 -0.360 a(3P)2D 33 15 201161.191 1.335 -0.475 a(3P)4P 31 0.429 a(3P)4D 30 -0.416 Z(3P)2D 27 16 202198.772 1.400 -0.673 a(3P)4P 31 -0.519 a(1P)2D 32 -0.294 Z(3F)2D 29 17 203019.789 1.169 0.577 Z(3F)4F 14 -0.491 Z(3F)4D 17 -0.280 Z(3D)4D 16 18 204292.815 0.748 -0.800 Z(3F)4G 12 0.274 Z(1D)2F 20 0.248 Z(3F)4D 17 19 204729.889 1.137 -0.517 Z(3F)2F 23 -0.436 Z(3F)4D 17 -0.372 Z(3F)2D 29 20 205600.317 1.051 -0.511 Z(3P)2D 27 0.404 Z(3F)4F 14 0.396 Z(3F)2F 23 J 2.5 21 207314.832 1.174 0.496 Z(3F)4D 17 0.472 Z(3F)4F 14 -0.362 Z(1D)2D 25 22 210790.148 1.199 -0.485 Z(3D)4D 16 -0.398 Z(1F)2F 21 -0.366 Z(3D)2D 28 23 211370.262 1.306 -0.536 a(1P)2D 32 0.517 a(3P)4D 30 0.400 a(3P)4P 31 24 212622.274 1.005 -0.475 Z(1D)2D 25 0.437 Z(1D)2F 20 0.434 Z(3F)2F 23 25 214287.148 1.107 -0.401 Z(3D)4F 13 -0.394 Z(3D)4D 16 -0.363 Z(3F)4F 14 26 215212.914 1.001 0.572 Z(1D)2F 20 0.393 Z(3D)2F 22 0.389 Z(3D)4P 19 27 215537.079 1.089 -0.687 Z(3D)4F 13 -0.453 Z(1F)2F 21 -0.383 Z(3D)4P 19 28 216883.037 1.254 -0.545 Z(3D)4D 16 -0.486 Z(3D)4P 19 0.436 Z(1F)2F 21 29 220168.544 1.205 -0.520 Z(3D)2D 28 -0.469 Z(1D)2D 25 0.323 Z(3D)2F 22 30 221859.473 1.022 -0.661 Z(3D)2F 22 0.403 Z(1F)2D 26 0.379 Z(1D)2F 20 31 224141.307 1.197 -0.598 Z(3F)2D 29 -0.511 a(3P)2D 33 0.371 a(1P)2D 32 32 226488.307 1.173 0.547 Z(1F)2D 26 0.533 Z(3D)2D 28 -0.382 a(3P)2D 33 33 256082.623 1.198 0.991 Z(1P)2D 24 -0.076 Z(3D)2F 22 0.058 Z(3D)4F 13 33 VECTORS WRITTEN TO UNIT 3 38.01 J 3.5 1 4p6 5s 2 4p6 6s 3 4p6 7s 4 4p6 8s 5 4p6 9s 6 4p6 10s 7 4p6 11s 8 4p6 12s 9 4p6 13s A 4p6 14s B 4p6 4d C 4p6 5d D 4p6 6d E 4p6 7d F 4p6 8d G 4p6 9d H 4p6 10d I 4p6 11d J 4p6 12d K 4p6 13d L 4p6 14d M 4p6 5g N 4p6 6g O 4p6 7g P 4p6 8g Q 4p6 9g R 4p6 10g S 4p6 11g T 4p6 12g U 4p6 13g V 4p6 14g W 4p6 7i X 4p6 8i Y 4p6 9i Z 4p5 4d5p a 4p5 5s5p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 71357.8 71357.609 -0.2 0.889 4p6.5g 2G 1.000 M(1S)2G 1 2 76737.7 76737.659 0.0 0.889 4p6.6g 2G 1.000 N(1S)2G 2 3 79984.3 79984.266 0.0 0.889 4p6.7g 2G 1.000 O(1S)2G 3 4 82090.4 82090.374 0.0 0.889 4p6.8g 2G -1.000 P(1S)2G 4 5 83533.8 P 83533.780 0.0 0.889 4p6.9g 2G -1.000 Q(1S)2G 5 6 84567.0 84566.984 0.0 0.889 4p6.10g 2G 1.000 R(1S)2G 6 7 85330.3 85330.288 0.0 0.889 4p6.11g 2G -1.000 S(1S)2G 7 8 85908.090 0.889 1.000 T(1S)2G 8 9 86360.892 0.889 -1.000 U(1S)2G 9 10 86720.094 0.889 -1.000 V(1S)2G 10 11 196056.752 1.424 -0.661 a(3P)4D 23 -0.613 Z(3P)4D 14 -0.403 Z(3F)4D 16 12 201186.148 1.168 -0.884 Z(3F)2F 22 -0.289 Z(3F)4F 13 -0.181 Z(3P)4D 14 13 201841.372 1.374 0.658 a(3P)4D 23 -0.620 Z(3P)4D 14 -0.243 Z(3F)4G 11 14 201924.220 1.165 -0.600 Z(3F)4G 11 0.417 Z(3F)4F 13 -0.388 Z(3F)4D 16 15 202616.947 1.214 -0.572 Z(3F)4D 16 0.554 Z(3F)4G 11 0.276 a(3P)4D 23 16 204881.278 1.268 0.708 Z(3F)4F 13 0.507 Z(3F)4D 16 0.346 Z(1F)2F 20 17 207632.469 0.993 0.628 Z(3F)2G 18 0.473 Z(1F)2G 17 0.426 Z(3D)4F 12 18 210631.059 1.344 -0.785 Z(3D)4D 15 -0.483 Z(1F)2F 20 0.273 Z(3F)4D 16 19 213632.129 1.053 0.594 Z(3D)2F 21 -0.517 Z(3F)2G 18 0.416 Z(3D)4F 12 20 216016.311 1.088 -0.533 Z(1D)2F 19 0.523 Z(1F)2G 17 -0.442 Z(3D)4F 12 J 3.5 21 217039.754 1.201 -0.651 Z(1D)2F 19 0.572 Z(3D)4F 12 -0.354 Z(3D)2F 21 22 217791.172 1.192 0.718 Z(1F)2F 20 -0.467 Z(3D)4D 15 -0.291 Z(3F)4F 13 23 222858.545 1.045 -0.646 Z(3D)2F 21 -0.447 Z(3F)2G 18 0.439 Z(1F)2G 17 23 VECTORS WRITTEN TO UNIT 3 38.01 J 4.5 1 4p6 5s 2 4p6 6s 3 4p6 7s 4 4p6 8s 5 4p6 9s 6 4p6 10s 7 4p6 11s 8 4p6 12s 9 4p6 13s A 4p6 14s B 4p6 4d C 4p6 5d D 4p6 6d E 4p6 7d F 4p6 8d G 4p6 9d H 4p6 10d I 4p6 11d J 4p6 12d K 4p6 13d L 4p6 14d M 4p6 5g N 4p6 6g O 4p6 7g P 4p6 8g Q 4p6 9g R 4p6 10g S 4p6 11g T 4p6 12g U 4p6 13g V 4p6 14g W 4p6 7i X 4p6 8i Y 4p6 9i Z 4p5 4d5p a 4p5 5s5p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 71357.8 71358.057 0.3 1.111 4p6.5g 2G 1.000 M(1S)2G 1 2 76737.7 76737.658 0.0 1.111 4p6.6g 2G 1.000 N(1S)2G 2 3 79984.3 79984.266 0.0 1.111 4p6.7g 2G -1.000 O(1S)2G 3 4 82090.4 82090.373 0.0 1.111 4p6.8g 2G -1.000 P(1S)2G 4 5 83533.8 P 83533.779 0.0 1.111 4p6.9g 2G 1.000 Q(1S)2G 5 6 84567.0 84566.984 0.0 1.111 4p6.10g 2G -1.000 R(1S)2G 6 7 85330.3 85330.287 0.0 1.111 4p6.11g 2G 1.000 S(1S)2G 7 8 85908.090 1.111 -1.000 T(1S)2G 8 9 86360.892 1.111 -1.000 U(1S)2G 9 10 86720.093 1.111 -1.000 V(1S)2G 10 11 201045.041 1.187 0.873 Z(3F)4G 11 -0.355 Z(3F)4F 13 0.270 Z(3F)2G 15 12 202725.911 1.313 -0.922 Z(3F)4F 13 -0.298 Z(3F)4G 11 0.180 Z(3D)4F 12 13 207043.377 1.150 0.883 Z(3F)2G 15 0.397 Z(3D)4F 12 -0.238 Z(3F)4G 11 14 211406.640 1.221 0.696 Z(3D)4F 12 0.621 Z(1F)2G 14 -0.348 Z(3F)2G 15 15 217985.399 1.192 0.748 Z(1F)2G 14 -0.565 Z(3D)4F 12 -0.296 Z(3F)4G 11 15 VECTORS WRITTEN TO UNIT 3 38.01 J 5.5 1 4p6 5s 2 4p6 6s 3 4p6 7s 4 4p6 8s 5 4p6 9s 6 4p6 10s 7 4p6 11s 8 4p6 12s 9 4p6 13s A 4p6 14s B 4p6 4d C 4p6 5d D 4p6 6d E 4p6 7d F 4p6 8d G 4p6 9d H 4p6 10d I 4p6 11d J 4p6 12d K 4p6 13d L 4p6 14d M 4p6 5g N 4p6 6g O 4p6 7g P 4p6 8g Q 4p6 9g R 4p6 10g S 4p6 11g T 4p6 12g U 4p6 13g V 4p6 14g W 4p6 7i X 4p6 8i Y 4p6 9i Z 4p5 4d5p a 4p5 5s5p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 80003.500 0.923 1.000 W(1S)2I 1 2 82103.700 0.923 1.000 X(1S)2I 2 3 83543.600 0.923 1.000 Y(1S)2I 3 4 200628.632 1.273 1.000 Z(3F)4G 4 4 VECTORS WRITTEN TO UNIT 3 38.01 J 6.5 1 4p6 5s 2 4p6 6s 3 4p6 7s 4 4p6 8s 5 4p6 9s 6 4p6 10s 7 4p6 11s 8 4p6 12s 9 4p6 13s A 4p6 14s B 4p6 4d C 4p6 5d D 4p6 6d E 4p6 7d F 4p6 8d G 4p6 9d H 4p6 10d I 4p6 11d J 4p6 12d K 4p6 13d L 4p6 14d M 4p6 5g N 4p6 6g O 4p6 7g P 4p6 8g Q 4p6 9g R 4p6 10g S 4p6 11g T 4p6 12g U 4p6 13g V 4p6 14g W 4p6 7i X 4p6 8i Y 4p6 9i Z 4p5 4d5p a 4p5 5s5p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 80003.500 1.077 1.000 W(1S)2I 1 2 82103.700 1.077 1.000 X(1S)2I 2 3 83543.600 1.077 1.000 Y(1S)2I 3 3 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 16-JAN-2017 15:14:27.87 Accounting information: Buffered I/O count: 153 Peak working set size: 9632 Direct I/O count: 213 Peak virtual size: 575904 Page faults: 2080 Mounted volumes: 0 Charged CPU time: 0 00:00:00.19 Elapsed time: 0 00:00:01.21