$ 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 B3801O.PUN FOR007 $ASSIGN H3801O.HAM FOR001 $ASSIGN POOLQ:C3801O.EIG FOR003 $ASSIGN POOL:B3801O15 FOR015 $ASSIGN POOL:B3801O16 FOR016 $RUN CRAY:LEASTE NPAR 239 NJ 8 FIRSTJ 0.5 1 p 6 d 0 s 0 p 1 p 0 f 0 h 0 k 0 2 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 3 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 4 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 5 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 6 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 7 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 8 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 9 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 A p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 B p 5 d 0 s 0 p 2 p 0 f 0 h 0 k 0 C p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 D p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 E p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 F p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 G p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 H p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 I p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 J p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 K p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 L p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 M p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 N p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 O p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 P p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 Q p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 R p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 S p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 T p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 U p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 V p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 W p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 X p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 Y p 5 d 2 s 0 p 0 p 0 f 0 h 0 k 0 Z p 5 d 1 s 1 p 0 p 0 f 0 h 0 k 0 a p 5 d 0 s 2 p 0 p 0 f 0 h 0 k 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2P)2P 1 1.5 1(2P)2P 1 TOTAL 2 28 37 34 26 15 11 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 155 37 1 0 28 65 99 125 140 151 153 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155 0 1Sansonetti, J.E. 2012. J.Phys.Chem.Ref.Data 42, 013102, 119pp. 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 20 20 20 10 10 10 10 0 0 0 0 0 0 0 0 0 0 1 1.0 28 37 34 26 15 11 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 38.01 4p6 5p 4p6 6p 4p6 7p 4p6 8p 4p6 9p 4p6 10p 4p6 11p 4p6 12p 4p6 13p 4p6 14p 4p5 5p2 4p6 4f 4p6 5f 4p6 6f 4p6 7f 4p6 8f 4p6 9f 4p6 10f 4p6 11f 4p6 12f 4p6 13f 4p6 14f 4p6 6h 4p6 7h 4p6 8h 4p6 9h 4p6 10h 4p6 11h 4p6 12h 4p6 13h 4p6 14h 4p6 8k 4p6 9k 4p5 4d2 4p5 4d5s 4p5 5s2 SENORITY MIXING CORRECTIONS 0 0.5 23715.19 4p6.5p 2P 4p6.5p 2P 0 0.5 55769.7 4p6.6p 2P 4p6.6p 2P 0 0.5 68679.34 4p6.7p 2P 4p6.7p 2P 1 0.5 4p6.8p 2P 4p6.8p 2P 0 -1.0 0 1.5 24516.65 4p6.5p 2P 4p6.5p 2P 0 1.5 56057.9 4p6.6p 2P 4p6.6p 2P 0 1.5 68817.12 4p6.7p 2P 4p6.7p 2P 0 1.5 75311.8 4p6.8p 2P 4p6.8p 2P 0 -1.0 0 2.5 60991.34 4p6.4f 2F 4p6.4f 2F 0 2.5 71065.8 4p6.5f 2F 4p6.5f 2F 0 2.5 76553.4 4p6.6f 2F 4p6.6f 2F 0 2.5 79861.3 4p6.7f 2F 4p6.7f 2F 0 2.5 82005.9 4p6.8f 2F 4p6.8f 2F 0 2.5 83472.7 4p6.9f 2F 4p6.9f 2F 0 2.5 84521.0 4p6.10f 2F 4p6.10f 2F 0 2.5 85294.8 4p6.11f 2F 4p6.11f 2F 0 2.5 85883.9 4p6.12f 2F 4p6.12f 2F 0 -1.0 0 3.5 60990.04 4p6.4f 2F 4p6.4f 2F 0 3.5 71065.8 4p6.5f 2F 4p6.5f 2F 0 3.5 76553.4 4p6.6f 2F 4p6.6f 2F 0 3.5 79861.3 4p6.7f 2F 4p6.7f 2F 0 3.5 82005.9 4p6.8f 2F 4p6.8f 2F 0 3.5 83472.7 4p6.9f 2F 4p6.9f 2F 0 3.5 84521.0 4p6.10f 2F 4p6.10f 2F 0 3.5 85294.8 4p6.11f 2F 4p6.11f 2F 0 3.5 85883.9 4p6.12f 2F 4p6.12f 2F 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 239 27.3 13 LEAST SQUARES 1 1 EAV 25597.2 19.0 23166.6 1.000 0 0.0 0 4p6 5p 2 1 ZETA 4 608.8 0.0 608.8 FIXEDHF 1.000 0 0.0 0 3 2 EAV 56138.8 19.0 55591.6 1.000 0 360.0 0 4p6 6p 4 2 ZETA 5 227.5 0.0 227.5 FIXEDHF 1.000 0 0.0 0 5 3 EAV 68848.0 19.0 68432.8 1.000 0 360.0 0 4p6 7p 6 3 ZETA 5 109.1 0.0 109.1 FIXEDHF 1.000 0 0.0 0 7 4 EAV 75319.7 27.0 74967.4 1.000 0 360.0 0 4p6 8p 8 4 ZETA 5 60.5 0.0 60.5 FIXEDHF 1.000 0 0.0 0 9 5 EAV 79122.7 0.0 78762.7 FIXEDHF 1.000 0 360.0 0 4p6 9p 10 5 ZETA 5 37.0 0.0 37.0 FIXEDHF 1.000 0 0.0 0 11 6 EAV 81524.9 0.0 81164.9 FIXEDHF 1.000 0 360.0 0 4p6 10p 12 6 ZETA 5 24.3 0.0 24.3 FIXEDHF 1.000 0 0.0 0 13 7 EAV 83143.7 0.0 82783.7 FIXEDHF 1.000 0 360.0 0 4p6 11p 14 7 ZETA 5 16.8 0.0 16.8 FIXEDHF 1.000 0 0.0 0 15 8 EAV 84284.4 0.0 83924.4 FIXEDHF 1.000 0 360.0 0 4p6 12p 16 8 ZETA 5 12.1 0.0 12.1 FIXEDHF 1.000 0 0.0 0 17 9 EAV 85118.7 0.0 84758.7 FIXEDHF 1.000 0 360.0 0 4p6 13p 18 9 ZETA 5 9.0 0.0 9.0 FIXEDHF 1.000 0 0.0 0 19 A EAV 85749.0 0.0 85389.0 FIXEDHF 1.000 0 360.0 0 4p6 14p 20 A ZETA 5 6.9 0.0 6.9 FIXEDHF 1.000 0 0.0 0 21 B EAV 241158.1 0.0 240798.1 FIXEDHF 1.000 0 360.0 0 4p5 5p2 22 B F2(44) 19022.2 0.0 23777.8 FIXEDHF 0.800 0 0.0 0 23 B ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 24 B ZETA 1 6728.6 0.0 6728.6 FIXEDHF 1.000 0 0.0 0 25 B ZETA 4 822.2 0.0 822.2 FIXEDHF 1.000 0 0.0 0 26 B F2(14) 10444.9 0.0 13056.1 FIXEDHF 0.800 0 0.0 0 27 B G0(14) 2759.7 0.0 3449.6 FIXEDHF 0.800 0 0.0 0 28 B G2(14) 3115.3 0.0 3894.1 FIXEDHF 0.800 0 0.0 0 29 C EAV 61068.7 19.0 60572.0 1.000 0 360.0 0 4p6 4f 30 C ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 31 D EAV 71127.2 19.0 70681.8 1.000 0 360.0 0 4p6 5f 32 D ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 33 E EAV 76596.2 19.0 76187.6 1.000 0 360.0 0 4p6 6f 34 E ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 35 F EAV 79891.1 19.0 79502.3 1.000 0 360.0 0 4p6 7f 36 F ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 37 G EAV 82027.1 19.0 81648.4 1.000 0 360.0 0 4p6 8f 38 G ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 39 H EAV 83488.2 19.0 83117.8 1.000 0 360.0 0 4p6 9f 40 H ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 I EAV 84532.6 19.0 84165.3 1.000 0 360.0 0 4p6 10f 42 I ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 J EAV 85303.6 19.0 84938.3 1.000 0 360.0 0 4p6 11f 44 J ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 K EAV 85890.8 19.0 85526.3 1.000 0 360.0 0 4p6 12f 46 K ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 L EAV 86343.7 0.0 85983.7 FIXEDHF 1.000 0 360.0 0 4p6 13f 48 L ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 M EAV 86706.5 0.0 86346.5 FIXEDHF 1.000 0 360.0 0 4p6 14f 50 M ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 N EAV 76765.9 0.0 76405.9 FIXEDHF 1.000 0 360.0 0 4p6 6h 52 N ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 O EAV 80001.7 0.0 79641.7 FIXEDHF 1.000 0 360.0 0 4p6 7h 54 O ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 P EAV 82101.0 0.0 81741.0 FIXEDHF 1.000 0 360.0 0 4p6 8h 56 P ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 Q EAV 83541.8 0.0 83181.8 FIXEDHF 1.000 0 360.0 0 4p6 9h 58 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 R EAV 84571.3 0.0 84211.3 FIXEDHF 1.000 0 360.0 0 4p6 10h 60 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 S EAV 85333.9 0.0 84973.9 FIXEDHF 1.000 0 360.0 0 4p6 11h 62 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 T EAV 85914.4 0.0 85554.4 FIXEDHF 1.000 0 360.0 0 4p6 12h 64 T ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 U EAV 86366.0 0.0 86006.0 FIXEDHF 1.000 0 360.0 0 4p6 13h 66 U ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 V EAV 86724.0 0.0 86364.0 FIXEDHF 1.000 0 360.0 0 4p6 14h 68 V ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 W EAV 82103.9 0.0 81743.9 FIXEDHF 1.000 0 360.0 0 4p6 8k 70 W ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 X EAV 83543.3 0.0 83183.3 FIXEDHF 1.000 0 360.0 0 4p6 9k 72 X ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 Y EAV 197937.1 0.0 197937.1 FIXEDHF 1.000 0 0.0 0 4p5 4d2 74 Y F2(22) 27966.6 0.0 34958.3 FIXEDHF 0.800 0 0.0 0 75 Y F4(22) 17862.7 0.0 22328.4 FIXEDHF 0.800 0 0.0 0 76 Y ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 77 Y BETA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 78 Y t(d 2) 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 79 Y ZETA 1 6409.4 0.0 6409.4 FIXEDHF 1.000 0 0.0 0 80 Y ZETA 2 203.7 0.0 203.7 FIXEDHF 1.000 0 0.0 0 81 Y F2(12) 30260.2 0.0 37825.2 FIXEDHF 0.800 0 0.0 0 82 Y G1(12) 34335.4 0.0 42919.3 FIXEDHF 0.800 0 0.0 0 83 Y G3(12) 20589.0 0.0 25736.3 FIXEDHF 0.800 0 0.0 0 84 Z EAV 187008.3 0.0 187008.3 FIXEDHF 1.000 0 0.0 0 4p5 4d5s 85 Z ZETA 1 6510.6 0.0 6510.6 FIXEDHF 1.000 0 0.0 0 86 Z ZETA 2 241.0 0.0 241.0 FIXEDHF 1.000 0 0.0 0 87 Z F2(12) 33441.9 0.0 41802.4 FIXEDHF 0.800 0 0.0 0 88 Z G1(12) 38659.6 0.0 48324.5 FIXEDHF 0.800 0 0.0 0 89 Z G3(12) 23293.1 0.0 29116.4 FIXEDHF 0.800 0 0.0 0 90 Z G1(13) 4021.1 0.0 5026.4 FIXEDHF 0.800 0 0.0 0 91 Z G2(23) 14248.9 0.0 17811.1 FIXEDHF 0.800 0 0.0 0 92 a EAV 186897.6 0.0 186897.6 FIXEDHF 1.000 0 0.0 0 4p5 5s2 93 a ZETA 1 6663.5 0.0 6663.5 FIXEDHF 1.000 0 0.0 0 94 1B 0D1114 1657.1 0.0 2071.4 FIXEDHF 0.800 0 0.0 0 4p6 5p -4p5 5p2 95 1B 2D1114 7801.2 0.0 9751.5 FIXEDHF 0.800 0 0.0 0 96 1B 0D1444 87.2 0.0 109.0 FIXEDHF 0.800 0 0.0 0 97 1B 2D1444 -2044.0 0.0 -2555.0 FIXEDHF 0.800 0 0.0 0 98 1Y 1D1422 -5940.6 0.0 -7425.7 FIXEDHF 0.800 0 0.0 0 4p6 5p -4p5 4d2 99 1Y 3D1422 -1534.8 0.0 -1918.5 FIXEDHF 0.800 0 0.0 0 100 1Z 1D1423 16611.5 0.0 20764.4 FIXEDHF 0.800 0 0.0 0 4p6 5p -4p5 4d5s 101 1Z 1E1423 4374.9 0.0 5468.6 FIXEDHF 0.800 0 0.0 0 102 1a 1D1433 -5130.1 0.0 -6412.6 FIXEDHF 0.800 0 0.0 0 4p6 5p -4p5 5s2 103 2B 0D1544 650.7 0.0 813.4 FIXEDHF 0.800 0 0.0 0 4p6 6p -4p5 5p2 104 2B 2D1544 -610.6 0.0 -763.2 FIXEDHF 0.800 0 0.0 0 105 2Y 1D1522 -2595.3 0.0 -3244.1 FIXEDHF 0.800 0 0.0 0 4p6 6p -4p5 4d2 106 2Y 3D1522 -944.9 0.0 -1181.1 FIXEDHF 0.800 0 0.0 0 107 2Z 1D1523 7759.2 0.0 9699.0 FIXEDHF 0.800 0 0.0 0 4p6 6p -4p5 4d5s 108 2Z 1E1523 2231.1 0.0 2788.9 FIXEDHF 0.800 0 0.0 0 109 2a 1D1533 -2079.8 0.0 -2599.8 FIXEDHF 0.800 0 0.0 0 4p6 6p -4p5 5s2 110 3B 0D1544 446.1 0.0 557.6 FIXEDHF 0.800 0 0.0 0 4p6 7p -4p5 5p2 111 3B 2D1544 -304.6 0.0 -380.7 FIXEDHF 0.800 0 0.0 0 112 3Y 1D1522 -1626.2 0.0 -2032.7 FIXEDHF 0.800 0 0.0 0 4p6 7p -4p5 4d2 113 3Y 3D1522 -660.2 0.0 -825.3 FIXEDHF 0.800 0 0.0 0 114 3Z 1D1523 4901.6 0.0 6127.0 FIXEDHF 0.800 0 0.0 0 4p6 7p -4p5 4d5s 115 3Z 1E1523 1449.2 0.0 1811.5 FIXEDHF 0.800 0 0.0 0 116 3a 1D1533 -1233.0 0.0 -1541.3 FIXEDHF 0.800 0 0.0 0 4p6 7p -4p5 5s2 117 4B 0D1544 329.8 0.0 412.3 FIXEDHF 0.800 0 0.0 0 4p6 8p -4p5 5p2 118 4B 2D1544 -187.7 0.0 -234.6 FIXEDHF 0.800 0 0.0 0 119 4Y 1D1522 -1156.6 0.0 -1445.7 FIXEDHF 0.800 0 0.0 0 4p6 8p -4p5 4d2 120 4Y 3D1522 -494.6 0.0 -618.2 FIXEDHF 0.800 0 0.0 0 121 4Z 1D1523 3491.8 0.0 4364.7 FIXEDHF 0.800 0 0.0 0 4p6 8p -4p5 4d5s 122 4Z 1E1523 1046.2 0.0 1307.8 FIXEDHF 0.800 0 0.0 0 123 4a 1D1533 -848.7 0.0 -1060.9 FIXEDHF 0.800 0 0.0 0 4p6 8p -4p5 5s2 124 5B 0D1544 256.7 0.0 320.9 FIXEDHF 0.800 0 0.0 0 4p6 9p -4p5 5p2 125 5B 2D1544 -130.0 0.0 -162.5 FIXEDHF 0.800 0 0.0 0 126 5Y 1D1522 -881.4 0.0 -1101.8 FIXEDHF 0.800 0 0.0 0 4p6 9p -4p5 4d2 127 5Y 3D1522 -388.0 0.0 -485.0 FIXEDHF 0.800 0 0.0 0 128 5Z 1D1523 2662.0 0.0 3327.5 FIXEDHF 0.800 0 0.0 0 4p6 9p -4p5 4d5s 129 5Z 1E1523 803.8 0.0 1004.7 FIXEDHF 0.800 0 0.0 0 130 5a 1D1533 -633.8 0.0 -792.2 FIXEDHF 0.800 0 0.0 0 4p6 9p -4p5 5s2 131 6B 0D1544 207.2 0.0 259.0 FIXEDHF 0.800 0 0.0 0 4p6 10p -4p5 5p2 132 6B 2D1544 -96.9 0.0 -121.1 FIXEDHF 0.800 0 0.0 0 133 6Y 1D1522 -702.2 0.0 -877.8 FIXEDHF 0.800 0 0.0 0 4p6 10p -4p5 4d2 134 6Y 3D1522 -314.9 0.0 -393.6 FIXEDHF 0.800 0 0.0 0 135 6Z 1D1523 2121.0 0.0 2651.3 FIXEDHF 0.800 0 0.0 0 4p6 10p -4p5 4d5s 136 6Z 1E1523 643.5 0.0 804.4 FIXEDHF 0.800 0 0.0 0 137 6a 1D1533 -498.2 0.0 -622.7 FIXEDHF 0.800 0 0.0 0 4p6 10p -4p5 5s2 138 7B 0D1544 171.8 0.0 214.8 FIXEDHF 0.800 0 0.0 0 4p6 11p -4p5 5p2 139 7B 2D1544 -75.8 0.0 -94.8 FIXEDHF 0.800 0 0.0 0 140 7Y 1D1522 -577.3 0.0 -721.6 FIXEDHF 0.800 0 0.0 0 4p6 11p -4p5 4d2 141 7Y 3D1522 -262.0 0.0 -327.5 FIXEDHF 0.800 0 0.0 0 142 7Z 1D1523 1743.8 0.0 2179.8 FIXEDHF 0.800 0 0.0 0 4p6 11p -4p5 4d5s 143 7Z 1E1523 530.8 0.0 663.5 FIXEDHF 0.800 0 0.0 0 144 7a 1D1533 -405.8 0.0 -507.2 FIXEDHF 0.800 0 0.0 0 4p6 11p -4p5 5s2 145 8B 0D1544 145.5 0.0 181.9 FIXEDHF 0.800 0 0.0 0 4p6 12p -4p5 5p2 146 8B 2D1544 -61.6 0.0 -77.0 FIXEDHF 0.800 0 0.0 0 147 8Y 1D1522 -485.8 0.0 -607.3 FIXEDHF 0.800 0 0.0 0 4p6 12p -4p5 4d2 148 8Y 3D1522 -222.5 0.0 -278.1 FIXEDHF 0.800 0 0.0 0 149 8Z 1D1523 1467.7 0.0 1834.6 FIXEDHF 0.800 0 0.0 0 4p6 12p -4p5 4d5s 150 8Z 1E1523 447.8 0.0 559.8 FIXEDHF 0.800 0 0.0 0 151 8a 1D1533 -339.1 0.0 -423.9 FIXEDHF 0.800 0 0.0 0 4p6 12p -4p5 5s2 152 9B 0D1544 125.3 0.0 156.6 FIXEDHF 0.800 0 0.0 0 4p6 13p -4p5 5p2 153 9B 2D1544 -51.3 0.0 -64.1 FIXEDHF 0.800 0 0.0 0 154 9Y 1D1522 -416.3 0.0 -520.4 FIXEDHF 0.800 0 0.0 0 4p6 13p -4p5 4d2 155 9Y 3D1522 -191.9 0.0 -239.9 FIXEDHF 0.800 0 0.0 0 156 9Z 1D1523 1258.0 0.0 1572.5 FIXEDHF 0.800 0 0.0 0 4p6 13p -4p5 4d5s 157 9Z 1E1523 384.6 0.0 480.7 FIXEDHF 0.800 0 0.0 0 158 9a 1D1533 -289.2 0.0 -361.5 FIXEDHF 0.800 0 0.0 0 4p6 13p -4p5 5s2 159 AB 0D1544 109.4 0.0 136.7 FIXEDHF 0.800 0 0.0 0 4p6 14p -4p5 5p2 160 AB 2D1544 -43.6 0.0 -54.5 FIXEDHF 0.800 0 0.0 0 161 AY 1D1522 -362.1 0.0 -452.6 FIXEDHF 0.800 0 0.0 0 4p6 14p -4p5 4d2 162 AY 3D1522 -167.7 0.0 -209.6 FIXEDHF 0.800 0 0.0 0 163 AZ 1D1523 1094.2 0.0 1367.8 FIXEDHF 0.800 0 0.0 0 4p6 14p -4p5 4d5s 164 AZ 1E1523 335.0 0.0 418.7 FIXEDHF 0.800 0 0.0 0 165 Aa 1D1533 -250.6 0.0 -313.2 FIXEDHF 0.800 0 0.0 0 4p6 14p -4p5 5s2 166 BC 2D4416 1233.6 0.0 1542.0 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 4f 167 BD 2D4416 971.0 0.0 1213.7 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 5f 168 BE 2D4416 758.6 0.0 948.3 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 6f 169 BF 2D4416 607.8 0.0 759.8 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 7f 170 BG 2D4416 499.4 0.0 624.2 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 8f 171 BH 2D4416 419.0 0.0 523.8 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 9f 172 BI 2D4416 357.9 0.0 447.4 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 10f 173 BJ 2D4416 310.2 0.0 387.8 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 11f 174 BK 2D4416 272.2 0.0 340.2 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 12f 175 BL 2D4416 241.3 0.0 301.6 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 13f 176 BM 2D4416 215.8 0.0 269.8 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p6 14f 177 BY 1D4422 12547.5 0.0 15684.4 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p5 4d2 178 BY 3D4422 9109.5 0.0 11386.9 FIXEDHF 0.800 0 0.0 0 179 BZ 1D4423 -14891.1 0.0 -18613.9 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p5 4d5s 180 Ba 1D4433 24483.6 0.0 30604.5 FIXEDHF 0.800 0 0.0 0 4p5 5p2 -4p5 5s2 181 CY 1D1622 5557.8 0.0 6947.2 FIXEDHF 0.800 0 0.0 0 4p6 4f -4p5 4d2 182 CY 3D1622 2343.0 0.0 2928.8 FIXEDHF 0.800 0 0.0 0 183 CZ 3D1623 -2066.5 0.0 -2583.1 FIXEDHF 0.800 0 0.0 0 4p6 4f -4p5 4d5s 184 CZ 1E1623 -1551.7 0.0 -1939.6 FIXEDHF 0.800 0 0.0 0 185 DY 1D1622 4787.9 0.0 5984.9 FIXEDHF 0.800 0 0.0 0 4p6 5f -4p5 4d2 186 DY 3D1622 2147.4 0.0 2684.3 FIXEDHF 0.800 0 0.0 0 187 DZ 3D1623 -1794.8 0.0 -2243.5 FIXEDHF 0.800 0 0.0 0 4p6 5f -4p5 4d5s 188 DZ 1E1623 -1311.3 0.0 -1639.1 FIXEDHF 0.800 0 0.0 0 189 EY 1D1622 3940.0 0.0 4925.0 FIXEDHF 0.800 0 0.0 0 4p6 6f -4p5 4d2 190 EY 3D1622 1820.7 0.0 2275.9 FIXEDHF 0.800 0 0.0 0 191 EZ 3D1623 -1477.0 0.0 -1846.3 FIXEDHF 0.800 0 0.0 0 4p6 6f -4p5 4d5s 192 EZ 1E1623 -1064.5 0.0 -1330.6 FIXEDHF 0.800 0 0.0 0 193 FY 1D1622 3261.3 0.0 4076.6 FIXEDHF 0.800 0 0.0 0 4p6 7f -4p5 4d2 194 FY 3D1622 1533.1 0.0 1916.4 FIXEDHF 0.800 0 0.0 0 195 FZ 3D1623 -1221.0 0.0 -1526.3 FIXEDHF 0.800 0 0.0 0 4p6 7f -4p5 4d5s 196 FZ 1E1623 -873.0 0.0 -1091.2 FIXEDHF 0.800 0 0.0 0 197 GY 1D1622 2738.5 0.0 3423.1 FIXEDHF 0.800 0 0.0 0 4p6 8f -4p5 4d2 198 GY 3D1622 1301.4 0.0 1626.8 FIXEDHF 0.800 0 0.0 0 199 GZ 3D1623 -1023.8 0.0 -1279.8 FIXEDHF 0.800 0 0.0 0 4p6 8f -4p5 4d5s 200 GZ 1E1623 -728.3 0.0 -910.4 FIXEDHF 0.800 0 0.0 0 201 HY 1D1622 2333.8 0.0 2917.3 FIXEDHF 0.800 0 0.0 0 4p6 9f -4p5 4d2 202 HY 3D1622 1117.4 0.0 1396.8 FIXEDHF 0.800 0 0.0 0 203 HZ 3D1623 -871.5 0.0 -1089.4 FIXEDHF 0.800 0 0.0 0 4p6 9f -4p5 4d5s 204 HZ 1E1623 -617.8 0.0 -772.3 FIXEDHF 0.800 0 0.0 0 205 IY 1D1622 2016.2 0.0 2520.2 FIXEDHF 0.800 0 0.0 0 4p6 10f -4p5 4d2 206 IY 3D1622 970.5 0.0 1213.1 FIXEDHF 0.800 0 0.0 0 207 IZ 3D1623 -752.2 0.0 -940.2 FIXEDHF 0.800 0 0.0 0 4p6 10f -4p5 4d5s 208 IZ 1E1623 -531.8 0.0 -664.8 FIXEDHF 0.800 0 0.0 0 209 JY 1D1622 1762.5 0.0 2203.1 FIXEDHF 0.800 0 0.0 0 4p6 11f -4p5 4d2 210 JY 3D1622 851.8 0.0 1064.7 FIXEDHF 0.800 0 0.0 0 211 JZ 3D1623 -657.0 0.0 -821.3 FIXEDHF 0.800 0 0.0 0 4p6 11f -4p5 4d5s 212 JZ 1E1623 -463.8 0.0 -579.7 FIXEDHF 0.800 0 0.0 0 213 KY 1D1622 1556.8 0.0 1946.0 FIXEDHF 0.800 0 0.0 0 4p6 12f -4p5 4d2 214 KY 3D1622 754.6 0.0 943.3 FIXEDHF 0.800 0 0.0 0 215 KZ 3D1623 -580.0 0.0 -725.0 FIXEDHF 0.800 0 0.0 0 4p6 12f -4p5 4d5s 216 KZ 1E1623 -408.7 0.0 -510.9 FIXEDHF 0.800 0 0.0 0 217 LY 1D1622 1387.5 0.0 1734.4 FIXEDHF 0.800 0 0.0 0 4p6 13f -4p5 4d2 218 LY 3D1622 674.2 0.0 842.8 FIXEDHF 0.800 0 0.0 0 219 LZ 3D1623 -516.6 0.0 -645.8 FIXEDHF 0.800 0 0.0 0 4p6 13f -4p5 4d5s 220 LZ 1E1623 -363.7 0.0 -454.6 FIXEDHF 0.800 0 0.0 0 221 MY 1D1622 1246.4 0.0 1558.0 FIXEDHF 0.800 0 0.0 0 4p6 14f -4p5 4d2 222 MY 3D1622 606.9 0.0 758.6 FIXEDHF 0.800 0 0.0 0 223 MZ 3D1623 -463.9 0.0 -579.9 FIXEDHF 0.800 0 0.0 0 4p6 14f -4p5 4d5s 224 MZ 1E1623 -326.3 0.0 -407.9 FIXEDHF 0.800 0 0.0 0 225 NY 3D1722 30.1 0.0 37.6 FIXEDHF 0.800 0 0.0 0 4p6 6h -4p5 4d2 226 OY 3D1722 34.3 0.0 42.9 FIXEDHF 0.800 0 0.0 0 4p6 7h -4p5 4d2 227 PY 3D1722 33.7 0.0 42.1 FIXEDHF 0.800 0 0.0 0 4p6 8h -4p5 4d2 228 QY 3D1722 31.5 0.0 39.4 FIXEDHF 0.800 0 0.0 0 4p6 9h -4p5 4d2 229 RY 3D1722 28.9 0.0 36.1 FIXEDHF 0.800 0 0.0 0 4p6 10h -4p5 4d2 230 SY 3D1722 26.4 0.0 33.0 FIXEDHF 0.800 0 0.0 0 4p6 11h -4p5 4d2 231 TY 3D1722 24.0 0.0 30.0 FIXEDHF 0.800 0 0.0 0 4p6 12h -4p5 4d2 232 UY 3D1722 21.9 0.0 27.4 FIXEDHF 0.800 0 0.0 0 4p6 13h -4p5 4d2 233 VY 3D1722 20.1 0.0 25.1 FIXEDHF 0.800 0 0.0 0 4p6 14h -4p5 4d2 234 YZ 2D1213 -7634.4 0.0 -9543.0 FIXEDHF 0.800 0 0.0 0 4p5 4d2 -4p5 4d5s 235 YZ 1E1213 -1146.2 0.0 -1432.8 FIXEDHF 0.800 0 0.0 0 236 YZ 2D2223 -16427.8 0.0 -20534.7 FIXEDHF 0.800 0 0.0 0 237 Ya 2D2233 16181.2 0.0 20226.5 FIXEDHF 0.800 0 0.0 0 4p5 4d2 -4p5 5s2 238 Za 2D1213 -7753.1 0.0 -9691.4 FIXEDHF 0.800 0 0.0 0 4p5 4d5s -4p5 5s2 239 Za 1E1213 -1324.6 0.0 -1655.7 FIXEDHF 0.800 0 0.0 0 38.01 J 0.5 1 4p6 5p 2 4p6 6p 3 4p6 7p 4 4p6 8p 5 4p6 9p 6 4p6 10p 7 4p6 11p 8 4p6 12p 9 4p6 13p A 4p6 14p B 4p5 5p2 C 4p6 4f D 4p6 5f E 4p6 6f F 4p6 7f G 4p6 8f H 4p6 9f I 4p6 10f J 4p6 11f K 4p6 12f L 4p6 13f M 4p6 14f N 4p6 6h O 4p6 7h P 4p6 8h Q 4p6 9h R 4p6 10h S 4p6 11h T 4p6 12h U 4p6 13h V 4p6 14h W 4p6 8k X 4p6 9k Y 4p5 4d2 Z 4p5 4d5s a 4p5 5s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 23715.19 23655.522 -59.7 0.666 4p6.5p 2P 0.997 1(2P)2P 1 -0.048 Z(1P)2P 26 0.044 B(3P)2P 13 2 55769.7 55742.497 -27.2 0.666 4p6.6p 2P -0.999 2(1S)2P 2 3 68679.34 68666.025 -13.3 0.666 4p6.7p 2P 1.000 3(1S)2P 3 4 75220.635 0.666 4p6.8p 2P -1.000 4(1S)2P 4 5 79062.721 0.666 1.000 5(1S)2P 5 6 81485.792 0.666 -1.000 6(1S)2P 6 7 83116.798 0.666 1.000 7(1S)2P 7 8 84265.108 0.666 1.000 8(1S)2P 8 9 85104.407 0.666 -1.000 9(1S)2P 9 10 85738.108 0.666 1.000 A(1S)2P 10 11 171165.747 2.630 0.985 Z(3P)4P 25 0.110 Y(3P)4P 19 -0.106 Z(3P)2P 27 12 176408.181 0.641 -0.929 Z(3P)2P 27 0.207 Z(3D)4D 24 -0.178 a(2P)2P 28 13 178779.602 0.035 0.891 Y(3F)4D 17 0.360 Y(3P)4D 18 -0.191 Z(3D)4D 24 14 188687.229 2.301 0.887 Y(3P)4P 19 -0.213 Y(3P)2S 23 -0.201 Y(1D)2P 21 15 189539.322 0.601 0.675 a(2P)2P 28 0.597 Z(3D)4D 24 -0.285 Y(3P)4P 19 16 190491.923 0.313 -0.723 Z(3D)4D 24 0.572 a(2P)2P 28 -0.262 Z(3P)2P 27 17 192210.326 0.752 0.778 Y(1D)2P 21 -0.425 Y(3P)2P 20 0.300 a(2P)2P 28 18 202119.159 0.051 0.905 Y(3P)4D 18 -0.355 Y(3F)4D 17 -0.175 Y(1D)2P 21 19 206352.984 2.013 -0.953 Y(3P)2S 23 -0.250 Y(3P)4P 19 -0.103 B(3P)2S 16 20 215726.777 0.669 -0.833 Y(1S)2P 22 0.368 Y(1D)2P 21 0.259 Y(3P)2P 20 J 0.5 21 227838.527 0.663 -0.880 Z(1P)2P 26 0.271 B(1D)2P 14 -0.216 Y(3P)2P 20 22 232821.518 0.666 0.792 Y(3P)2P 20 0.335 Y(1S)2P 22 0.317 Y(1D)2P 21 23 234709.394 1.944 -0.749 B(3P)4P 12 0.381 B(3P)2S 16 -0.337 B(3P)2P 13 24 237313.147 1.119 -0.552 B(3P)2P 13 0.498 B(1D)2P 14 -0.414 B(3P)2S 16 25 242554.712 0.407 -0.777 B(3P)4D 11 0.500 B(1D)2P 14 0.315 B(3P)2S 16 26 245023.252 1.844 -0.733 B(3P)2S 16 -0.528 B(3P)4P 12 -0.407 B(3P)4D 11 27 250817.332 0.685 0.724 B(3P)2P 13 0.543 B(1D)2P 14 0.289 B(3P)4D 11 28 263075.819 0.666 -0.937 B(1S)2P 15 0.249 Y(1S)2P 22 0.217 a(2P)2P 28 28 VECTORS WRITTEN TO UNIT 3 38.01 J 1.5 1 4p6 5p 2 4p6 6p 3 4p6 7p 4 4p6 8p 5 4p6 9p 6 4p6 10p 7 4p6 11p 8 4p6 12p 9 4p6 13p A 4p6 14p B 4p5 5p2 C 4p6 4f D 4p6 5f E 4p6 6f F 4p6 7f G 4p6 8f H 4p6 9f I 4p6 10f J 4p6 11f K 4p6 12f L 4p6 13f M 4p6 14f N 4p6 6h O 4p6 7h P 4p6 8h Q 4p6 9h R 4p6 10h S 4p6 11h T 4p6 12h U 4p6 13h V 4p6 14h W 4p6 8k X 4p6 9k Y 4p5 4d2 Z 4p5 4d5s a 4p5 5s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 24516.65 24576.391 59.7 1.334 4p6.5p 2P 0.997 1(2P)2P 1 -0.048 Z(1P)2P 35 0.044 B(3P)2P 16 2 56057.9 56085.114 27.2 1.334 4p6.6p 2P -0.999 2(1S)2P 2 3 68817.12 68830.444 13.3 1.334 4p6.7p 2P 1.000 3(1S)2P 3 4 75311.8 75311.841 0.0 1.334 4p6.8p 2P -1.000 4(1S)2P 4 5 79118.510 1.334 -1.000 5(1S)2P 5 6 81522.434 1.334 -1.000 6(1S)2P 6 7 83142.133 1.334 -1.000 7(1S)2P 7 8 84283.355 1.334 1.000 8(1S)2P 8 9 85117.979 1.334 -1.000 9(1S)2P 9 10 85748.513 1.334 -1.000 A(1S)2P 10 11 172338.699 1.707 0.964 Z(3P)4P 32 -0.159 Z(3D)4D 31 -0.144 Z(3P)2P 36 12 176929.683 1.303 0.664 Z(3P)2P 36 0.634 a(2P)2P 37 0.152 Z(1D)2D 33 13 178950.875 1.184 -0.839 Y(3F)4D 20 -0.389 Y(3P)4D 21 0.248 Z(3D)4D 31 14 181049.069 0.542 0.846 Z(3F)4F 30 -0.399 Z(1D)2D 33 -0.195 Z(3D)4D 31 15 181564.630 1.250 0.698 a(2P)2P 37 -0.541 Z(3P)2P 36 0.211 Z(3D)2D 34 16 186757.712 0.918 -0.593 Y(1D)2D 26 0.359 Z(3P)2P 36 0.315 Y(3F)2D 24 17 187381.422 1.646 -0.915 Y(3P)4P 22 0.161 Y(3P)4S 23 0.156 Y(3F)4F 19 18 190569.213 1.019 -0.790 Z(3D)4D 31 -0.372 Z(3F)4F 30 0.252 Y(3F)4F 19 19 191105.057 0.771 -0.516 Z(3D)2D 34 -0.512 Z(1D)2D 33 -0.494 Y(3F)4F 19 20 191964.202 0.698 0.678 Y(3F)4F 19 -0.466 Z(1D)2D 33 0.339 Z(3D)4D 31 J 1.5 21 194134.120 1.202 0.596 Y(1D)2P 28 -0.478 Z(3D)2D 34 -0.402 Y(3P)2P 27 22 199151.643 0.992 -0.609 Y(3P)4D 21 -0.588 Y(3P)2D 25 0.364 Y(3F)4D 20 23 200849.493 0.933 -0.527 Z(3D)2D 34 -0.483 Y(1D)2D 26 0.323 Z(1D)2D 33 24 204409.563 1.068 0.686 Y(3P)2D 25 -0.533 Y(3P)4D 21 0.325 Y(3P)4S 23 25 206181.356 1.855 -0.893 Y(3P)4S 23 -0.218 Y(3P)4P 22 0.217 Y(3P)2D 25 26 209414.434 1.316 -0.765 Y(1S)2P 29 0.521 Y(1D)2P 28 -0.228 B(1S)2P 18 27 228016.974 1.331 -0.902 Z(1P)2P 35 -0.234 Y(3P)2P 27 0.228 B(1D)2P 17 28 233421.228 1.646 0.825 B(3P)4P 12 -0.362 B(3P)4D 11 -0.291 B(3P)4S 13 29 234368.344 1.305 0.790 Y(3P)2P 27 0.365 Y(1D)2P 28 -0.234 Z(1P)2P 35 30 235271.512 0.915 -0.783 B(3P)2D 14 -0.377 B(3P)4D 11 -0.338 Y(3F)2D 24 31 237160.851 1.348 -0.466 B(3P)2P 16 -0.457 B(3P)4S 13 0.358 B(1D)2P 17 32 238376.643 0.996 0.657 Y(3F)2D 24 0.333 Y(1D)2D 26 -0.322 B(3P)2P 16 33 243514.398 1.357 -0.521 B(3P)4S 13 0.474 B(3P)4D 11 -0.444 B(1D)2P 17 34 245314.164 1.404 0.621 B(3P)4D 11 0.473 B(3P)4S 13 0.424 B(3P)4P 12 35 249100.993 1.158 -0.674 B(1D)2D 15 0.491 B(3P)2P 16 -0.315 B(1S)2P 18 36 253836.451 1.309 0.858 B(1S)2P 18 -0.236 Y(1S)2P 29 -0.234 B(1D)2D 15 37 255946.017 1.238 0.647 B(1D)2P 17 0.543 B(3P)2P 16 0.429 B(1D)2D 15 37 VECTORS WRITTEN TO UNIT 3 38.01 J 2.5 1 4p6 5p 2 4p6 6p 3 4p6 7p 4 4p6 8p 5 4p6 9p 6 4p6 10p 7 4p6 11p 8 4p6 12p 9 4p6 13p A 4p6 14p B 4p5 5p2 C 4p6 4f D 4p6 5f E 4p6 6f F 4p6 7f G 4p6 8f H 4p6 9f I 4p6 10f J 4p6 11f K 4p6 12f L 4p6 13f M 4p6 14f N 4p6 6h O 4p6 7h P 4p6 8h Q 4p6 9h R 4p6 10h S 4p6 11h T 4p6 12h U 4p6 13h V 4p6 14h W 4p6 8k X 4p6 9k Y 4p5 4d2 Z 4p5 4d5s a 4p5 5s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 60991.34 60989.623 -1.7 0.857 4p6.4f 2F -1.000 C(1S)2F 6 2 71065.8 71065.093 -0.7 0.857 4p6.5f 2F 1.000 D(1S)2F 7 3 76553.4 76552.796 -0.6 0.857 4p6.6f 2F 1.000 E(1S)2F 8 4 79861.3 79861.013 -0.3 0.857 4p6.7f 2F -1.000 F(1S)2F 9 5 82005.9 82005.699 -0.2 0.857 4p6.8f 2F 1.000 G(1S)2F 10 6 83472.7 83472.589 -0.1 0.857 4p6.9f 2F -1.000 H(1S)2F 11 7 84521.0 84520.934 -0.1 0.857 4p6.10f 2F 1.000 I(1S)2F 12 8 85294.8 85294.693 -0.1 0.857 4p6.11f 2F -1.000 J(1S)2F 13 9 85883.9 85883.871 0.0 0.857 4p6.12f 2F -1.000 K(1S)2F 14 10 86338.231 0.857 1.000 L(1S)2F 15 11 86702.143 0.857 1.000 M(1S)2F 16 12 174541.189 1.574 -0.936 Z(3P)4P 30 0.235 Z(3D)4D 29 -0.170 Y(3P)4P 21 13 178914.383 1.114 0.772 Z(3F)4F 28 0.361 Y(3F)4D 19 -0.289 Z(3D)4D 29 14 179590.697 1.266 -0.707 Y(3F)4D 19 0.405 Z(3F)4F 28 -0.401 Y(3P)4D 20 15 181965.127 1.092 0.531 Z(3F)2F 32 0.484 Y(1D)2D 27 0.468 Z(1D)2D 33 16 185340.577 1.061 -0.571 Z(1F)2F 31 -0.381 Z(3D)4D 29 -0.370 Z(3F)2F 32 17 185655.888 1.556 -0.927 Y(3P)4P 21 -0.172 Y(3F)4D 19 0.169 Z(3P)4P 30 18 186668.910 0.810 0.574 Y(3F)4G 17 -0.454 Y(3F)2F 22 0.453 Y(1G)2F 23 19 189735.525 1.012 0.555 Z(3F)2F 32 -0.419 Z(3D)4D 29 -0.347 Y(3F)4G 17 20 191121.675 1.013 0.562 Y(3F)4F 18 0.459 Y(1G)2F 23 -0.343 Y(3F)2F 22 J 2.5 21 192239.520 1.139 -0.601 Z(3D)4D 29 0.444 Z(1F)2F 31 0.343 Y(3F)4F 18 22 193083.728 1.097 -0.660 Z(1D)2D 33 0.370 Y(3F)4G 17 0.319 Y(3F)4F 18 23 194117.135 0.870 -0.528 Y(3F)4G 17 0.407 Z(1F)2F 31 -0.356 Y(3F)4F 18 24 196463.165 1.100 -0.677 Z(3D)2D 34 0.505 Y(1D)2F 24 -0.323 Y(1D)2D 27 25 198610.690 1.311 0.694 Y(3P)4D 20 -0.509 Y(3F)4D 19 0.377 Y(3P)2D 26 26 203782.538 0.960 0.738 Y(1D)2F 24 0.294 Y(3P)2D 26 0.277 Z(3F)2F 32 27 207007.863 1.202 0.775 Y(3P)2D 26 -0.373 Y(3P)4D 20 -0.277 Y(1D)2F 24 28 220950.938 0.858 0.745 Y(3F)2F 22 0.649 Y(1G)2F 23 0.088 Y(3F)4G 17 29 232842.796 1.564 0.916 B(3P)4P 2 -0.384 B(3P)4D 1 0.077 B(3P)2D 4 30 235225.842 1.269 0.600 B(3P)2D 4 0.564 B(3P)4D 1 0.451 Y(3F)2D 25 31 236760.178 1.240 -0.673 Y(3F)2D 25 0.440 B(3P)4D 1 -0.306 Y(1D)2D 27 32 242966.102 1.071 0.732 B(1D)2D 5 -0.607 B(1D)2F 3 -0.182 Y(3F)2D 25 33 246014.539 1.290 0.737 B(3P)2D 4 -0.570 B(3P)4D 1 -0.300 B(3P)4P 2 34 251499.199 0.994 -0.765 B(1D)2F 3 -0.597 B(1D)2D 5 0.100 B(3P)2D 4 34 VECTORS WRITTEN TO UNIT 3 38.01 J 3.5 1 4p6 5p 2 4p6 6p 3 4p6 7p 4 4p6 8p 5 4p6 9p 6 4p6 10p 7 4p6 11p 8 4p6 12p 9 4p6 13p A 4p6 14p B 4p5 5p2 C 4p6 4f D 4p6 5f E 4p6 6f F 4p6 7f G 4p6 8f H 4p6 9f I 4p6 10f J 4p6 11f K 4p6 12f L 4p6 13f M 4p6 14f N 4p6 6h O 4p6 7h P 4p6 8h Q 4p6 9h R 4p6 10h S 4p6 11h T 4p6 12h U 4p6 13h V 4p6 14h W 4p6 8k X 4p6 9k Y 4p5 4d2 Z 4p5 4d5s a 4p5 5s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 60990.04 60991.694 1.7 1.143 4p6.4f 2F -1.000 C(1S)2F 3 2 71065.8 71066.581 0.8 1.143 4p6.5f 2F 1.000 D(1S)2F 4 3 76553.4 76553.962 0.6 1.143 4p6.6f 2F 1.000 E(1S)2F 5 4 79861.3 79861.590 0.3 1.143 4p6.7f 2F 1.000 F(1S)2F 6 5 82005.9 82006.112 0.2 1.143 4p6.8f 2F -1.000 G(1S)2F 7 6 83472.7 83472.892 0.2 1.143 4p6.9f 2F 1.000 H(1S)2F 8 7 84521.0 84521.160 0.2 1.143 4p6.10f 2F 1.000 I(1S)2F 9 8 85294.8 85294.866 0.1 1.143 4p6.11f 2F -1.000 J(1S)2F 10 9 85883.9 85884.005 0.1 1.143 4p6.12f 2F 1.000 K(1S)2F 11 10 86338.336 1.143 1.000 L(1S)2F 12 11 86702.226 1.143 1.000 M(1S)2F 13 12 177549.275 1.238 0.927 Z(3F)4F 23 0.217 Z(3F)2F 26 0.202 Z(1F)2F 25 13 180033.505 1.372 -0.661 Y(3F)4D 16 -0.475 Y(3P)4D 17 0.373 Z(3F)2F 26 14 181221.520 1.189 -0.802 Z(3F)2F 26 0.309 Y(1D)2F 22 -0.301 Y(3F)4D 16 15 185802.251 1.313 0.719 Z(3D)4D 24 0.584 Z(1F)2F 25 0.210 Y(3F)4D 16 16 186309.263 1.048 0.823 Y(3F)4G 14 -0.431 Y(3F)4F 15 -0.212 Y(3F)2F 20 17 190374.397 1.070 -0.582 Y(3F)4F 15 -0.579 Y(3F)2G 18 -0.323 Y(3F)4G 14 18 191985.041 1.239 0.459 Y(3P)4D 17 0.450 Y(1G)2F 21 0.432 Y(3F)4F 15 19 193245.506 1.211 0.530 Z(1F)2F 25 0.507 Y(1D)2F 22 -0.452 Z(3D)4D 24 20 195316.012 1.156 -0.687 Y(1D)2F 22 0.441 Z(1F)2F 25 -0.262 Y(3F)2G 18 J 3.5 21 198022.901 0.991 0.723 Y(3F)2G 18 -0.427 Y(3F)4G 14 -0.306 Y(3F)4F 15 22 198953.886 1.364 0.624 Y(3P)4D 17 -0.613 Y(3F)4D 16 -0.267 Y(3F)4F 15 23 207063.568 0.918 -0.931 Y(1G)2G 19 0.298 Y(3F)2F 20 0.169 Y(3F)2G 18 24 224881.926 1.135 0.705 Y(1G)2F 21 0.676 Y(3F)2F 20 0.180 Y(1G)2G 19 25 235292.865 1.426 0.989 B(3P)4D 1 -0.111 B(1D)2F 2 -0.090 Y(3P)4D 17 26 240349.193 1.147 0.977 B(1D)2F 2 -0.123 Z(3F)2F 26 0.113 B(3P)4D 1 26 VECTORS WRITTEN TO UNIT 3 38.01 J 4.5 1 4p6 5p 2 4p6 6p 3 4p6 7p 4 4p6 8p 5 4p6 9p 6 4p6 10p 7 4p6 11p 8 4p6 12p 9 4p6 13p A 4p6 14p B 4p5 5p2 C 4p6 4f D 4p6 5f E 4p6 6f F 4p6 7f G 4p6 8f H 4p6 9f I 4p6 10f J 4p6 11f K 4p6 12f L 4p6 13f M 4p6 14f N 4p6 6h O 4p6 7h P 4p6 8h Q 4p6 9h R 4p6 10h S 4p6 11h T 4p6 12h U 4p6 13h V 4p6 14h W 4p6 8k X 4p6 9k Y 4p5 4d2 Z 4p5 4d5s a 4p5 5s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 76765.900 0.909 1.000 N(1S)2H 1 2 80001.700 0.909 1.000 O(1S)2H 2 3 82101.000 0.909 1.000 P(1S)2H 3 4 83541.800 0.909 -1.000 Q(1S)2H 4 5 84571.300 0.909 -1.000 R(1S)2H 5 6 85333.900 0.909 1.000 S(1S)2H 6 7 85914.400 0.909 1.000 T(1S)2H 7 8 86366.000 0.909 -1.000 U(1S)2H 8 9 86724.000 0.909 1.000 V(1S)2H 9 10 176268.734 1.334 -0.994 Z(3F)4F 15 -0.105 Y(3F)4F 11 11 185171.988 1.193 0.909 Y(3F)4G 10 -0.371 Y(3F)4F 11 0.177 Y(3F)2G 13 12 189523.884 1.277 -0.847 Y(3F)4F 11 -0.449 Y(3F)2G 13 -0.262 Y(3F)4G 10 13 196963.744 0.981 -0.817 Y(1G)2H 12 0.507 Y(1G)2G 14 0.209 Y(3F)2G 13 14 200245.446 1.114 -0.810 Y(3F)2G 13 -0.368 Y(1G)2H 12 0.335 Y(3F)4F 11 15 207836.472 1.073 -0.853 Y(1G)2G 14 -0.444 Y(1G)2H 12 0.260 Y(3F)2G 13 15 VECTORS WRITTEN TO UNIT 3 38.01 J 5.5 1 4p6 5p 2 4p6 6p 3 4p6 7p 4 4p6 8p 5 4p6 9p 6 4p6 10p 7 4p6 11p 8 4p6 12p 9 4p6 13p A 4p6 14p B 4p5 5p2 C 4p6 4f D 4p6 5f E 4p6 6f F 4p6 7f G 4p6 8f H 4p6 9f I 4p6 10f J 4p6 11f K 4p6 12f L 4p6 13f M 4p6 14f N 4p6 6h O 4p6 7h P 4p6 8h Q 4p6 9h R 4p6 10h S 4p6 11h T 4p6 12h U 4p6 13h V 4p6 14h W 4p6 8k X 4p6 9k Y 4p5 4d2 Z 4p5 4d5s a 4p5 5s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 76765.900 1.091 1.000 N(1S)2H 1 2 80001.700 1.091 1.000 O(1S)2H 2 3 82101.000 1.091 -1.000 P(1S)2H 3 4 83541.800 1.091 -1.000 Q(1S)2H 4 5 84571.300 1.091 -1.000 R(1S)2H 5 6 85333.900 1.091 -1.000 S(1S)2H 6 7 85914.400 1.091 -1.000 T(1S)2H 7 8 86366.000 1.091 1.000 U(1S)2H 8 9 86724.000 1.091 -1.000 V(1S)2H 9 10 184349.817 1.273 -1.000 Y(3F)4G 10 11 192496.418 1.091 -1.000 Y(1G)2H 11 11 VECTORS WRITTEN TO UNIT 3 38.01 J 6.5 1 4p6 5p 2 4p6 6p 3 4p6 7p 4 4p6 8p 5 4p6 9p 6 4p6 10p 7 4p6 11p 8 4p6 12p 9 4p6 13p A 4p6 14p B 4p5 5p2 C 4p6 4f D 4p6 5f E 4p6 6f F 4p6 7f G 4p6 8f H 4p6 9f I 4p6 10f J 4p6 11f K 4p6 12f L 4p6 13f M 4p6 14f N 4p6 6h O 4p6 7h P 4p6 8h Q 4p6 9h R 4p6 10h S 4p6 11h T 4p6 12h U 4p6 13h V 4p6 14h W 4p6 8k X 4p6 9k Y 4p5 4d2 Z 4p5 4d5s a 4p5 5s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 82103.900 0.933 1.000 W(1S)2K 1 2 83543.300 0.933 1.000 X(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 38.01 J 7.5 1 4p6 5p 2 4p6 6p 3 4p6 7p 4 4p6 8p 5 4p6 9p 6 4p6 10p 7 4p6 11p 8 4p6 12p 9 4p6 13p A 4p6 14p B 4p5 5p2 C 4p6 4f D 4p6 5f E 4p6 6f F 4p6 7f G 4p6 8f H 4p6 9f I 4p6 10f J 4p6 11f K 4p6 12f L 4p6 13f M 4p6 14f N 4p6 6h O 4p6 7h P 4p6 8h Q 4p6 9h R 4p6 10h S 4p6 11h T 4p6 12h U 4p6 13h V 4p6 14h W 4p6 8k X 4p6 9k Y 4p5 4d2 Z 4p5 4d5s a 4p5 5s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 82103.900 1.067 1.000 W(1S)2K 1 2 83543.300 1.067 1.000 X(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 24-JAN-2017 11:50:41.92 Accounting information: Buffered I/O count: 154 Peak working set size: 9632 Direct I/O count: 257 Peak virtual size: 575904 Page faults: 2080 Mounted volumes: 0 Charged CPU time: 0 00:00:00.21 Elapsed time: 0 00:00:01.47