$ 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 2102 $SET VERIFY=NOIMAGE $ASSIGN B2102E.PUN FOR007 $ASSIGN H2102E.HAM FOR001 $ASSIGN EAV2102E.DAT FOR066 $ASSIGN B2102E.EIG FOR003 $ASSIGN POOLG:B2102E15 FOR015 $ASSIGN POOLG:B2102E16 FOR016 $RUN CRAY:LEAST3007 NPAR 206 NJ 7 FIRSTJ 0.5 1 p 6 d 1 s 0 p 0 s 0 d 0 g 0 i 0 2 p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 3 p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 4 p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 5 p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 6 p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 7 p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 8 p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 9 p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 A p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 B p 6 d 0 s 0 p 0 s 0 d 1 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 1 p 0 s 0 d 0 g 0 i 0 E p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 F p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 G p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 H p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 I p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 J p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 K p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 L p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 M p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 N p 6 d 0 s 0 p 0 s 1 d 0 g 0 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 0 i 1 U p 6 d 0 s 0 p 0 s 0 d 0 g 0 i 1 V p 6 d 0 s 0 p 0 s 0 d 0 g 0 i 1 W p 5 d 1 s 0 p 1 s 0 d 0 g 0 i 0 X p 5 d 0 s 1 p 1 s 0 d 0 g 0 i 0 LS STATES FOR LOWEST CONFIGURATION 1.5 1(2D)2D 1 2.5 1(2D)2D 1 TOTAL 2 28 37 34 18 10 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 134 37 1 0 28 65 99 117 127 131 134 134 134 134 134 134 134 134 134 134 134 134 134 134 134 134 0 1 2 3 4 5 Van Deurzen, C.H.H., Conway, J.G., and Davis, S.P. 1973. JOSA 63, 158-163. 6 Holmstrom, J.-E. 1972. Physica Scripta 5, 249-253. 7 8 9 0 0 0 0 0.300 1.300 2 1.0 20 40 40 30 30 20 10 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1.0 20 37 34 18 10 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21.02 3p6 3d 3p6 4d 3p6 5d 3p6 6d 3p6 7d 3p6 8d 3p6 9d 3p6 10d 3p6 11d 3p6 12d 3p6 13d 3p6 14d 3p6 4s 3p6 5s 3p6 6s 3p6 7s 3p6 8s 3p6 9s 3p6 10s 3p6 11s 3p6 12s 3p6 13s 3p6 14s 3p6 5g 3p6 6g 3p6 7g 3p6 8g 3p6 9g 3p6 7i 3p6 8i 3p6 9i 3p5 3d4p 3p5 4s4p SENORITY MIXING CORRECTIONS 0 0.5 25539.32 3p6(1S)4s 2S 4s 2S 0 0.5 114862.48 3p6(1S)5s 2S 5s 2S 0 0.5 149194.03 3p6(1S)6s 2S 6s 2S 0 0.5 166157.17 3p6(1S)7s 2S 7s 2S 0 0.5 175795.73 3p6(1S)8s 2S 8s 2S 0 0.5 181799.08 R 3p6(1S)9s 2S 9s 2S 0 0.5 185791.64 R 3p6(1S)10s 2S 10s 2S 0 0.5 188581.31 R 3p6(1S)11s 2S 11s 2S 0 0.5 190607.19 R 3p6(1S)12s 2S 12s 2S 0 0.5 192124.77 R 3p6(1S)13s 2S 13s 2S 0 0.5 193290.96 R 3p6(1S)14s 2S 14s 2S 0 -1.0 0 1.5 0.00 3p6(1S)3d 2D 3d 2D 0 1.5 112257.62 3p6(1S)4d 2D 4d 2D 0 1.5 148130.03 3p6(1S)5d 2D 5d 2D 0 1.5 165592.55 3p6(1S)6d 2D 6d 2D 0 1.5 175457.03 3p6(1S)7d 2D 7d 2D 0 1.5 181579.49 R 3p6(1S)8d 2D 8d 2D 0 1.5 185641.12 R 3p6(1S)9d 2D 9d 2D 0 1.5 188473.65 R 3p6(1S)10d 2D 10d 2D 0 1.5 190527.54 R 3p6(1S)11d 2D 11d 2D 0 1.5 192064.20 R 3p6(1S)12d 2D 12d 2D 0 1.5 193243.83 R 3p6(1S)13d 2D 13d 2D 0 1.5 194169.06 R 3p6(1S)14d 2D 14d 2D 0 -1.0 0 2.5 197.64 3p6(1S)3d 2D 3d 2D 0 2.5 112302.95 3p6(1S)4d 2D 4d 2D 0 2.5 148150.14 3p6(1S)5d 2D 5d 2D 0 2.5 165603.29 3p6(1S)6d 2D 6d 2D 0 2.5 175463.56 3p6(1S)7d 2D 7d 2D 0 2.5 181583.79 R 3p6(1S)8d 2D 8d 2D 0 2.5 185644.11 R 3p6(1S)9d 2D 9d 2D 0 2.5 188475.81 R 3p6(1S)10d 2D 10d 2D 0 2.5 190529.15 R 3p6(1S)11d 2D 11d 2D 0 2.5 192065.44 R 3p6(1S)12d 2D 12d 2D 0 2.5 193244.80 R 3p6(1S)13d 2D 13d 2D 0 2.5 194169.83 R 3p6(1S)14d 2D 14d 2D 0 -1.0 0 3.5 160072.18 3p6(1S)5g 2G 5g 2G 0 3.5 172177.41 3p6(1S)6g 2G 6g 2G 0 3.5 179477.24 3p6(1S)7g 2G 7g 2G 0 3.5 184214.61 3p6(1S)8g 2G 8g 2G 0 3.5 187461.99 R 3p6(1S)9g 2G 9g 2G 0 -1.0 0 4.5 160072.18 3p6(1S)5g 2G 5g 2G 0 4.5 172177.41 3p6(1S)6g 2G 6g 2G 0 4.5 179477.24 3p6(1S)7g 2G 7g 2G 0 4.5 184214.61 3p6(1S)8g 2G 8g 2G 0 4.5 187461.99 R 3p6(1S)9g 2G 9g 2G 0 -1.0 0 5.5 179516.63 P 3p6(1S)7i 2I 7i 2I 0 5.5 184241.95 P 3p6(1S)8i 2I 8i 2I 0 5.5 187481.65 R 3p6(1S)9i 2I 9i 2I 0 -1.0 0 6.5 179516.63 P 3p6(1S)7i 2I 7i 2I 0 6.5 184241.95 P 3p6(1S)8i 2I 8i 2I 0 6.5 187481.65 R 3p6(1S)9i 2I 9i 2I 206 0.1 34 LEAST SQUARES 1 1 EAV 1231.4 0.0 0.0 1.000 0 1227.0 0 3p6 3d 2 1 ZETA 2 79.0 0.0 90.3 1.000 0 0.0 0 3 2 EAV 113093.9 0.0 111647.2 1.000 0 0.0 0 3p6 4d 4 2 ZETA 6 16.7 0.0 15.5 1.000 0 0.0 0 5 3 EAV 148493.9 0.0 147067.4 1.000 0 0.0 0 3p6 5d 6 3 ZETA 6 7.4 0.0 7.1 1.000 0 0.0 0 7 4 EAV 165788.2 0.0 164250.3 1.000 0 0.0 0 3p6 6d 8 4 ZETA 6 3.8 0.0 3.8 FIXEDHF 1.000 0 0.0 0 9 5 EAV 175574.6 0.0 173965.6 1.000 0 0.0 0 3p6 7d 10 5 ZETA 6 2.3 0.0 2.3 FIXEDHF 1.000 0 0.0 0 11 6 EAV 181655.6 0.0 180002.3 1.000 0 0.0 0 3p6 8d 12 6 ZETA 6 1.5 0.0 1.5 FIXEDHF 1.000 0 0.0 0 13 7 EAV 185693.1 0.0 184013.1 1.000 0 0.0 0 3p6 9d 14 7 ZETA 6 1.0 0.0 1.0 FIXEDHF 1.000 0 0.0 0 15 8 EAV 188510.7 0.0 186812.1 1.000 0 0.0 0 3p6 10d 16 8 ZETA 6 0.7 0.0 0.7 FIXEDHF 1.000 0 0.0 0 17 9 EAV 190554.8 0.0 188843.1 1.000 0 0.0 0 3p6 11d 18 9 ZETA 6 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 19 A EAV 192084.8 0.0 190366.3 1.000 0 0.0 0 3p6 12d 20 A ZETA 6 0.4 0.0 0.4 FIXEDHF 1.000 0 0.0 0 21 B EAV 193259.7 0.0 191534.1 1.000 0 0.0 0 3p6 13d 22 B ZETA 6 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 23 C EAV 194181.5 0.0 192451.4 1.000 0 0.0 0 3p6 14d 24 C ZETA 6 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 25 D EAV 28868.5 0.0 23891.0 1.000 0 0.0 0 3p6 4s 26 E EAV 115053.4 0.0 113550.5 1.000 0 0.0 0 3p6 5s 27 F EAV 149267.2 0.0 147681.5 1.000 0 0.0 0 3p6 6s 28 G EAV 166194.3 0.0 164543.1 1.000 0 0.0 0 3p6 7s 29 H EAV 175817.4 0.0 174130.9 1.000 0 0.0 0 3p6 8s 30 I EAV 181812.9 0.0 180106.1 1.000 0 0.0 0 3p6 9s 31 J EAV 185801.0 0.0 184082.9 1.000 0 0.0 0 3p6 10s 32 K EAV 188587.9 0.0 186862.2 1.000 0 0.0 0 3p6 11s 33 L EAV 190612.1 0.0 188879.6 1.000 0 0.0 0 3p6 12s 34 M EAV 192128.5 0.0 190393.4 1.000 0 0.0 0 3p6 13s 35 N EAV 193293.8 0.0 191555.5 1.000 0 0.0 0 3p6 14s 36 O EAV 160072.3 0.0 158321.8 1.000 0 0.0 0 3p6 5g 37 O ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 38 P EAV 172177.5 0.0 170413.0 1.000 0 0.0 0 3p6 6g 39 P ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 40 Q EAV 179477.3 0.0 177715.3 1.000 0 0.0 0 3p6 7g 41 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 42 R EAV 184214.7 0.0 182456.1 1.000 0 0.0 0 3p6 8g 43 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 44 S EAV 187462.0 0.0 185706.5 1.000 0 0.0 0 3p6 9g 45 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 46 T EAV 179516.6 0.0 177774.2 1.000 0 0.0 0 3p6 7i 47 T ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 48 U EAV 184242.0 0.0 182498.0 1.000 0 0.0 0 3p6 8i 49 U ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 50 V EAV 187481.6 0.0 185737.3 1.000 0 0.0 0 3p6 9i 51 V ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 52 W EAV 322856.3 0.0 322856.3 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 53 W ZETA 1 2793.3 0.0 2793.3 FIXEDHF 1.000 0 0.0 0 54 W ZETA 2 116.8 0.0 116.8 FIXEDHF 1.000 0 0.0 0 55 W ZETA 4 359.5 0.0 359.5 FIXEDHF 1.000 0 0.0 0 56 W F2(12) 62228.0 0.0 77785.0 FIXEDHF 0.800 0 0.0 0 57 W F2(14) 13244.6 0.0 16555.7 FIXEDHF 0.800 0 0.0 0 58 W F2(24) 15238.0 0.0 19047.5 FIXEDHF 0.800 0 0.0 0 59 W G1(12) 77561.6 0.0 96952.0 FIXEDHF 0.800 0 0.0 0 60 W G3(12) 47216.9 0.0 59021.1 FIXEDHF 0.800 0 0.0 0 61 W G0(14) 4297.7 0.0 5372.1 FIXEDHF 0.800 0 0.0 0 62 W G2(14) 4429.5 0.0 5536.9 FIXEDHF 0.800 0 0.0 0 63 W G1(24) 5848.9 0.0 7311.1 FIXEDHF 0.800 0 0.0 0 64 W G3(24) 5317.5 0.0 6646.9 FIXEDHF 0.800 0 0.0 0 65 X EAV 378298.2 0.0 378298.2 FIXEDHF 1.000 0 0.0 0 3p5 4s4p 66 X ZETA 1 2945.9 0.0 2945.9 FIXEDHF 1.000 0 0.0 0 67 X ZETA 4 431.0 0.0 431.0 FIXEDHF 1.000 0 0.0 0 68 X F2(14) 15040.6 0.0 18800.8 FIXEDHF 0.800 0 0.0 0 69 X G1(13) 5953.4 0.0 7441.8 FIXEDHF 0.800 0 0.0 0 70 X G0(14) 4730.9 0.0 5913.6 FIXEDHF 0.800 0 0.0 0 71 X G2(14) 4995.7 0.0 6244.6 FIXEDHF 0.800 0 0.0 0 72 X G1(34) 34948.1 0.0 43685.1 FIXEDHF 0.800 0 0.0 0 73 1W 0D1114 2408.0 0.0 3010.0 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 74 1W 2D1114 11047.2 0.0 13809.0 FIXEDHF 0.800 0 0.0 0 75 1W 1D1224 1123.5 0.0 1404.4 FIXEDHF 0.800 0 0.0 0 76 1W 3D1224 3747.8 0.0 4684.8 FIXEDHF 0.800 0 0.0 0 77 1W 0E1224 350.8 0.0 438.5 FIXEDHF 0.800 0 0.0 0 78 1W 2E1224 7123.4 0.0 8904.3 FIXEDHF 0.800 0 0.0 0 79 1X 1D1234 7168.7 0.0 8960.9 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 80 1X 2E1234 6469.5 0.0 8086.9 FIXEDHF 0.800 0 0.0 0 81 2W 1D1624 15906.6 0.0 19883.2 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 82 2W 3D1624 5456.4 0.0 6820.5 FIXEDHF 0.800 0 0.0 0 83 2W 0E1624 4780.7 0.0 5975.9 FIXEDHF 0.800 0 0.0 0 84 2W 2E1624 3936.2 0.0 4920.2 FIXEDHF 0.800 0 0.0 0 85 2X 1D1634 -2751.0 0.0 -3438.8 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 86 2X 2E1634 -916.7 0.0 -1145.9 FIXEDHF 0.800 0 0.0 0 87 3W 1D1624 9542.9 0.0 11928.6 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 88 3W 3D1624 3769.9 0.0 4712.4 FIXEDHF 0.800 0 0.0 0 89 3W 0E1624 3002.6 0.0 3753.2 FIXEDHF 0.800 0 0.0 0 90 3W 2E1624 2663.5 0.0 3329.4 FIXEDHF 0.800 0 0.0 0 91 3X 1D1634 -1531.8 0.0 -1914.7 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 92 3X 2E1634 -680.1 0.0 -850.1 FIXEDHF 0.800 0 0.0 0 93 4W 1D1624 6648.2 0.0 8310.3 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 94 4W 3D1624 2773.2 0.0 3466.5 FIXEDHF 0.800 0 0.0 0 95 4W 0E1624 2135.5 0.0 2669.4 FIXEDHF 0.800 0 0.0 0 96 4W 2E1624 1951.7 0.0 2439.6 FIXEDHF 0.800 0 0.0 0 97 4X 1D1634 -1011.1 0.0 -1263.9 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 98 4X 2E1634 -492.8 0.0 -616.0 FIXEDHF 0.800 0 0.0 0 99 5W 1D1624 4998.1 0.0 6247.6 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 100 5W 3D1624 2144.6 0.0 2680.7 FIXEDHF 0.800 0 0.0 0 101 5W 0E1624 1625.0 0.0 2031.2 FIXEDHF 0.800 0 0.0 0 102 5W 2E1624 1508.0 0.0 1885.0 FIXEDHF 0.800 0 0.0 0 103 5X 1D1634 -733.6 0.0 -917.0 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 104 5X 2E1634 -374.0 0.0 -467.5 FIXEDHF 0.800 0 0.0 0 105 6W 1D1624 3943.4 0.0 4929.3 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 106 6W 3D1624 1720.9 0.0 2151.1 FIXEDHF 0.800 0 0.0 0 107 6W 0E1624 1292.2 0.0 1615.2 FIXEDHF 0.800 0 0.0 0 108 6W 2E1624 1210.0 0.0 1512.5 FIXEDHF 0.800 0 0.0 0 109 6X 1D1634 -564.9 0.0 -706.1 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 110 6X 2E1634 -295.5 0.0 -369.4 FIXEDHF 0.800 0 0.0 0 111 7W 1D1624 3218.2 0.0 4022.8 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 112 7W 3D1624 1420.0 0.0 1775.0 FIXEDHF 0.800 0 0.0 0 113 7W 0E1624 1060.3 0.0 1325.4 FIXEDHF 0.800 0 0.0 0 114 7W 2E1624 998.6 0.0 1248.3 FIXEDHF 0.800 0 0.0 0 115 7X 1D1634 -453.1 0.0 -566.4 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 116 7X 2E1634 -241.0 0.0 -301.3 FIXEDHF 0.800 0 0.0 0 117 8W 1D1624 2693.2 0.0 3366.5 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 118 8W 3D1624 1197.5 0.0 1496.9 FIXEDHF 0.800 0 0.0 0 119 8W 0E1624 890.9 0.0 1113.6 FIXEDHF 0.800 0 0.0 0 120 8W 2E1624 842.3 0.0 1052.9 FIXEDHF 0.800 0 0.0 0 121 8X 1D1634 -374.5 0.0 -468.1 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 122 8X 2E1634 -201.4 0.0 -251.8 FIXEDHF 0.800 0 0.0 0 123 9W 1D1624 2298.2 0.0 2872.7 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 124 9W 3D1624 1027.5 0.0 1284.4 FIXEDHF 0.800 0 0.0 0 125 9W 0E1624 762.5 0.0 953.1 FIXEDHF 0.800 0 0.0 0 126 9W 2E1624 723.0 0.0 903.7 FIXEDHF 0.800 0 0.0 0 127 9X 1D1634 -316.5 0.0 -395.6 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 128 9X 2E1634 -171.6 0.0 -214.5 FIXEDHF 0.800 0 0.0 0 129 AW 1D1624 1991.8 0.0 2489.7 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 130 AW 3D1624 894.3 0.0 1117.9 FIXEDHF 0.800 0 0.0 0 131 AW 0E1624 662.4 0.0 828.0 FIXEDHF 0.800 0 0.0 0 132 AW 2E1624 629.4 0.0 786.7 FIXEDHF 0.800 0 0.0 0 133 AX 1D1634 -272.2 0.0 -340.3 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 134 AX 2E1634 -148.6 0.0 -185.7 FIXEDHF 0.800 0 0.0 0 135 BW 1D1624 1748.3 0.0 2185.4 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 136 BW 3D1624 787.6 0.0 984.5 FIXEDHF 0.800 0 0.0 0 137 BW 0E1624 582.5 0.0 728.1 FIXEDHF 0.800 0 0.0 0 138 BW 2E1624 554.3 0.0 692.9 FIXEDHF 0.800 0 0.0 0 139 BX 1D1634 -237.6 0.0 -297.0 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 140 BX 2E1634 -130.2 0.0 -162.8 FIXEDHF 0.800 0 0.0 0 141 CW 1D1624 1551.0 0.0 1938.7 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 142 CW 3D1624 700.5 0.0 875.6 FIXEDHF 0.800 0 0.0 0 143 CW 0E1624 517.6 0.0 647.0 FIXEDHF 0.800 0 0.0 0 144 CW 2E1624 493.1 0.0 616.4 FIXEDHF 0.800 0 0.0 0 145 CX 1D1634 -209.8 0.0 -262.2 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 146 CX 2E1634 -115.4 0.0 -144.2 FIXEDHF 0.800 0 0.0 0 147 DW 1D1324 26306.1 0.0 32882.6 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 3d4p 148 DW 2E1324 4857.3 0.0 6071.6 FIXEDHF 0.800 0 0.0 0 149 DX 0D1114 2492.2 0.0 3115.2 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 150 DX 2D1114 11368.0 0.0 14210.0 FIXEDHF 0.800 0 0.0 0 151 DX 1D1334 -6141.9 0.0 -7677.4 FIXEDHF 0.800 0 0.0 0 152 DX 0E1334 -925.3 0.0 -1156.6 FIXEDHF 0.800 0 0.0 0 153 EW 1D1524 6174.3 0.0 7717.9 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 154 EW 2E1524 2313.6 0.0 2892.0 FIXEDHF 0.800 0 0.0 0 155 EX 1D1534 -413.4 0.0 -516.7 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 156 EX 0E1534 1459.5 0.0 1824.4 FIXEDHF 0.800 0 0.0 0 157 FW 1D1524 3487.0 0.0 4358.8 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 158 FW 2E1524 1452.7 0.0 1815.9 FIXEDHF 0.800 0 0.0 0 159 FX 1D1534 -6.5 0.0 -8.1 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 160 FX 0E1534 956.1 0.0 1195.1 FIXEDHF 0.800 0 0.0 0 161 GW 1D1524 2363.5 0.0 2954.4 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 162 GW 2E1524 1030.2 0.0 1287.7 FIXEDHF 0.800 0 0.0 0 163 GX 1D1534 70.1 0.0 87.6 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 164 GX 0E1534 691.4 0.0 864.3 FIXEDHF 0.800 0 0.0 0 165 HW 1D1524 1752.9 0.0 2191.1 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 166 HW 2E1524 782.6 0.0 978.3 FIXEDHF 0.800 0 0.0 0 167 HX 1D1534 83.3 0.0 104.1 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 168 HX 0E1534 531.0 0.0 663.8 FIXEDHF 0.800 0 0.0 0 169 IW 1D1524 1372.8 0.0 1716.0 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 170 IW 2E1524 621.9 0.0 777.4 FIXEDHF 0.800 0 0.0 0 171 IX 1D1534 80.6 0.0 100.7 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 172 IX 0E1534 424.9 0.0 531.1 FIXEDHF 0.800 0 0.0 0 173 JW 1D1524 1115.4 0.0 1394.3 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 174 JW 2E1524 510.2 0.0 637.8 FIXEDHF 0.800 0 0.0 0 175 JX 1D1534 73.8 0.0 92.3 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 176 JX 0E1534 350.1 0.0 437.6 FIXEDHF 0.800 0 0.0 0 177 KW 1D1524 931.0 0.0 1163.7 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 178 KW 2E1524 428.7 0.0 535.9 FIXEDHF 0.800 0 0.0 0 179 KX 1D1534 66.6 0.0 83.2 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 180 KX 0E1534 295.0 0.0 368.8 FIXEDHF 0.800 0 0.0 0 181 LW 1D1524 793.0 0.0 991.3 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 182 LW 2E1524 367.0 0.0 458.7 FIXEDHF 0.800 0 0.0 0 183 LX 1D1534 59.8 0.0 74.7 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 184 LX 0E1534 253.1 0.0 316.4 FIXEDHF 0.800 0 0.0 0 185 MW 1D1524 686.5 0.0 858.1 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 186 MW 2E1524 318.9 0.0 398.6 FIXEDHF 0.800 0 0.0 0 187 MX 1D1534 53.8 0.0 67.2 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 188 MX 0E1534 220.3 0.0 275.4 FIXEDHF 0.800 0 0.0 0 189 NW 1D1524 602.2 0.0 752.7 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 190 NW 2E1524 280.5 0.0 350.6 FIXEDHF 0.800 0 0.0 0 191 NX 1D1534 48.6 0.0 60.7 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 192 NX 0E1534 194.1 0.0 242.6 FIXEDHF 0.800 0 0.0 0 193 OW 3D1724 -538.0 0.0 -672.5 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 194 OW 2E1724 -103.0 0.0 -128.7 FIXEDHF 0.800 0 0.0 0 195 PW 3D1724 -520.9 0.0 -651.1 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 196 PW 2E1724 -102.2 0.0 -127.8 FIXEDHF 0.800 0 0.0 0 197 QW 3D1724 -460.2 0.0 -575.3 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 198 QW 2E1724 -91.6 0.0 -114.5 FIXEDHF 0.800 0 0.0 0 199 RW 3D1724 -400.0 0.0 -500.0 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 200 RW 2E1724 -80.2 0.0 -100.3 FIXEDHF 0.800 0 0.0 0 201 SW 3D1724 -348.2 0.0 -435.3 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 202 SW 2E1724 -70.2 0.0 -87.8 FIXEDHF 0.800 0 0.0 0 203 WX 2D1213 2244.7 0.0 2805.9 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 204 WX 1E1213 5741.0 0.0 7176.3 FIXEDHF 0.800 0 0.0 0 205 WX 2D2434 -10123.1 0.0 -12653.9 FIXEDHF 0.800 0 0.0 0 206 WX 1E2434 -9316.7 0.0 -11645.9 FIXEDHF 0.800 0 0.0 0 21.02 J 0.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 25539.32 25539.361 0.0 2.002 4s 2S 0.995 D(2S)2S 1 0.076 W(1P)2S 21 0.040 X(3P)2S 28 2 114862.48 114862.468 0.0 2.002 5s 2S -1.000 E(1S)2S 2 3 149194.03 149194.020 0.0 2.002 6s 2S 1.000 F(1S)2S 3 4 166157.17 166157.153 0.0 2.002 7s 2S 1.000 G(1S)2S 4 5 175795.73 175795.714 0.0 2.002 8s 2S 1.000 H(1S)2S 5 6 181799.08 R 181799.081 0.0 2.002 9s 2S -1.000 I(1S)2S 6 7 185791.64 R 185791.640 0.0 2.002 10s 2S 1.000 J(1S)2S 7 8 188581.31 R 188581.262 0.0 2.002 11s 2S -1.000 K(1S)2S 8 9 190607.19 R 190607.222 0.0 2.002 12s 2S -1.000 L(1S)2S 9 10 192124.77 R 192124.812 0.0 2.002 13s 2S 1.000 M(1S)2S 10 11 193290.96 R 193290.947 0.0 2.002 14s 2S 1.000 N(1S)2S 11 12 298944.100 0.042 0.957 W(3P)4D 12 0.194 W(3F)4D 14 0.178 W(3P)2P 19 13 300675.563 2.635 0.988 W(3P)4P 15 0.104 W(3P)2S 22 -0.075 W(3P)4D 12 14 301749.349 0.665 0.967 W(3P)2P 19 -0.171 W(3P)4D 12 0.125 W(3P)2S 22 15 307346.075 1.986 0.980 W(3P)2S 22 -0.114 W(3P)2P 19 -0.109 W(3P)4P 15 16 312059.211 0.008 0.924 W(3F)4D 14 0.296 W(3D)4D 13 -0.220 W(3P)4D 12 17 325987.030 0.005 0.948 W(3D)4D 13 -0.305 W(3F)4D 14 0.079 W(3D)2P 20 18 330086.427 1.178 -0.770 W(1D)2P 18 -0.508 W(3D)4P 16 -0.370 W(3D)2P 20 19 330768.796 2.139 -0.855 W(3D)4P 16 0.423 W(1D)2P 18 0.289 W(3D)2P 20 20 332917.921 0.678 -0.867 W(3D)2P 20 0.465 W(1D)2P 18 0.107 W(3P)2P 19 21.02 J 1.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.00 0.027 0.0 0.800 3d 2D 0.998 1(2D)2D 1 0.037 W(3F)2D 26 2 112257.62 112257.645 0.0 0.800 4d 2D -0.998 2(1S)2D 2 -0.034 W(3F)2D 26 0.030 W(1P)2D 21 3 148130.03 148129.973 -0.1 0.800 5d 2D 0.999 3(1S)2D 3 4 165592.55 165592.676 0.1 0.800 6d 2D 0.999 4(1S)2D 4 5 175457.03 175457.072 0.0 0.800 7d 2D 0.999 5(1S)2D 5 6 181579.49 R 181579.544 0.1 0.800 8d 2D 0.999 6(1S)2D 6 7 185641.12 R 185641.199 0.1 0.800 9d 2D -1.000 7(1S)2D 7 8 188473.65 R 188473.773 0.1 0.800 10d 2D -1.000 8(1S)2D 8 9 190527.54 R 190527.660 0.1 0.800 11d 2D 1.000 9(1S)2D 9 10 192064.20 R 192064.270 0.1 0.800 12d 2D -1.000 A(1S)2D 10 11 193243.83 R 193243.890 0.1 0.800 13d 2D -1.000 B(1S)2D 11 12 194169.06 R 194169.062 0.0 0.800 14d 2D -1.000 C(1S)2D 12 13 299400.485 1.214 -0.957 W(3P)4D 15 -0.208 W(3F)4D 17 -0.160 W(3P)4P 18 14 301020.210 1.716 -0.921 W(3P)4P 18 -0.265 W(3P)4S 20 0.234 W(3P)2P 29 15 302379.777 1.381 0.890 W(3P)2P 29 0.291 W(3P)4P 18 -0.239 W(3P)4S 20 16 303714.054 1.919 -0.930 W(3P)4S 20 -0.279 W(3P)2P 29 0.185 W(3P)4P 18 17 306186.154 0.832 -0.930 W(3P)2D 24 0.233 W(3P)2P 29 0.211 W(3F)2D 26 18 311223.162 1.001 0.794 W(3F)4D 17 -0.494 W(3F)4F 14 0.259 W(3D)4D 16 19 312614.855 0.610 0.852 W(3F)4F 14 0.479 W(3F)4D 17 -0.115 W(3P)4D 15 20 318670.255 0.801 -0.682 W(3F)2D 26 0.600 W(1D)2D 22 0.322 W(1F)2D 23 J 1.5 21 325365.579 1.038 -0.737 W(3D)4D 16 -0.454 W(3D)2D 25 0.293 W(1F)2D 23 22 326076.339 0.911 -0.552 W(3D)4D 16 0.515 W(3D)2D 25 -0.440 W(3F)2D 26 23 327109.591 0.460 0.948 W(3D)4F 13 0.225 W(3D)4D 16 -0.149 W(3D)2D 25 24 329798.812 1.517 -0.725 W(3D)4P 19 -0.602 W(1D)2P 28 -0.233 W(3D)2P 30 25 330814.483 1.025 0.540 W(3D)2P 30 -0.534 W(1D)2D 22 0.511 W(1F)2D 23 26 330941.008 1.513 0.703 W(1D)2P 28 -0.666 W(3D)4P 19 0.224 W(3D)2P 30 27 332409.415 1.133 0.762 W(3D)2P 30 -0.426 W(1F)2D 23 0.370 W(1D)2D 22 28 341927.427 0.801 0.656 W(3D)2D 25 0.548 W(1F)2D 23 0.354 W(3F)2D 26 29 363941.849 1.990 0.982 X(3P)4S 33 -0.168 X(3P)4P 32 0.074 X(1P)2P 36 30 369895.232 1.181 -0.879 X(3P)4D 31 -0.316 X(1P)2D 34 0.240 X(3P)4P 32 31 372742.663 1.203 0.617 X(1P)2D 34 0.598 X(3P)4P 32 0.361 X(3P)2D 35 32 374996.804 1.303 -0.650 X(3P)4P 32 0.494 X(1P)2D 34 -0.457 X(3P)4D 31 33 377047.893 1.395 0.753 X(1P)2P 36 0.500 X(3P)2P 37 -0.364 X(3P)4P 32 34 394844.743 1.180 0.668 X(3P)2P 37 -0.462 X(3P)2D 35 -0.401 X(1P)2P 36 35 398091.936 0.956 0.714 X(3P)2D 35 0.404 X(3P)2P 37 -0.399 X(1P)2D 34 36 407780.714 1.241 0.828 W(1P)2P 27 -0.411 W(1P)2D 21 -0.277 X(1P)2P 36 37 408596.433 0.890 0.879 W(1P)2D 21 0.366 W(1P)2P 27 -0.196 X(1P)2D 34 21.02 J 2.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 197.64 197.650 0.0 1.200 3d 2D 0.998 1(2D)2D 1 0.037 W(3F)2D 30 2 112302.95 112302.912 0.0 1.200 4d 2D -0.998 2(1S)2D 2 -0.034 W(3F)2D 30 0.030 W(1P)2D 25 3 148150.14 148150.197 0.1 1.200 5d 2D 0.999 3(1S)2D 3 4 165603.29 165603.164 -0.1 1.200 6d 2D 0.999 4(1S)2D 4 5 175463.56 175463.437 -0.1 1.200 7d 2D -0.999 5(1S)2D 5 6 181583.79 R 181583.700 -0.1 1.200 8d 2D 0.999 6(1S)2D 6 7 185644.11 R 185643.979 -0.1 1.200 9d 2D 1.000 7(1S)2D 7 8 188475.81 R 188475.724 -0.1 1.200 10d 2D 1.000 8(1S)2D 8 9 190529.15 R 190529.058 -0.1 1.200 11d 2D -1.000 9(1S)2D 9 10 192065.44 R 192065.382 -0.1 1.200 12d 2D 1.000 A(1S)2D 10 11 193244.80 R 193244.726 -0.1 1.200 13d 2D 1.000 B(1S)2D 11 12 194169.83 R 194169.878 0.0 1.200 14d 2D 1.000 C(1S)2D 12 13 300126.561 1.379 -0.948 W(3P)4D 16 -0.234 W(3F)4D 18 -0.194 W(3P)4P 19 14 301973.798 1.586 -0.971 W(3P)4P 19 0.180 W(3P)4D 16 0.098 W(3P)2D 28 15 306598.170 1.200 -0.926 W(3P)2D 28 0.255 W(3F)2D 30 0.199 W(3D)2D 29 16 310227.878 1.189 -0.694 W(3F)4D 18 0.568 W(3F)4F 15 -0.276 W(3F)4G 13 17 310816.473 0.692 0.913 W(3F)4G 13 -0.350 W(3F)4D 18 -0.114 W(3F)2F 24 18 311323.755 0.929 -0.806 W(3F)2F 24 -0.375 W(3F)4F 15 -0.314 W(3F)4D 18 19 312444.145 1.040 0.707 W(3F)4F 15 -0.518 W(3F)2F 24 0.401 W(3F)4D 18 20 317610.155 1.191 -0.741 W(3F)2D 30 0.473 W(1D)2D 26 0.377 W(1F)2D 27 J 2.5 21 324429.013 1.230 -0.607 W(3D)2D 29 -0.424 W(3D)4D 17 0.401 W(1D)2D 26 22 325112.282 1.248 -0.732 W(3D)4D 17 -0.320 W(1D)2D 26 0.271 W(3D)4F 14 23 326089.350 0.962 -0.692 W(1D)2F 21 0.477 W(1F)2F 22 -0.401 W(3D)4D 17 24 327268.981 1.007 -0.902 W(3D)4F 14 -0.317 W(1F)2F 22 0.234 W(1D)2F 21 25 328929.456 0.874 -0.649 W(1F)2F 22 -0.561 W(3D)2F 23 -0.454 W(1D)2F 21 26 329510.524 1.555 -0.938 W(3D)4P 20 0.238 W(1D)2D 26 -0.210 W(1F)2D 27 27 331530.788 1.230 0.654 W(1F)2D 27 -0.577 W(1D)2D 26 -0.317 W(3D)2D 29 28 332948.284 0.866 -0.792 W(3D)2F 23 0.428 W(1D)2F 21 0.390 W(1F)2F 22 29 342625.205 1.200 0.636 W(3D)2D 29 0.541 W(1F)2D 27 0.379 W(3F)2D 30 30 369092.671 1.372 0.929 X(3P)4D 31 -0.240 X(3P)4P 32 0.231 X(1P)2D 33 31 372327.584 1.508 0.874 X(3P)4P 32 0.407 X(1P)2D 33 0.242 X(3P)2D 34 32 376087.096 1.293 -0.704 X(1P)2D 33 -0.432 X(3P)2D 34 0.420 X(3P)4P 32 33 393629.127 1.200 0.848 X(3P)2D 34 -0.498 X(1P)2D 33 -0.152 W(1P)2D 25 34 408765.720 1.200 0.978 W(1P)2D 25 -0.184 X(1P)2D 33 0.064 X(3P)2D 34 21.02 J 3.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 160072.18 160071.953 -0.2 0.889 5g 2G 1.000 O(1S)2G 1 2 172177.41 172177.153 -0.3 0.889 6g 2G -1.000 P(1S)2G 2 3 179477.24 179477.221 0.0 0.889 7g 2G -1.000 Q(1S)2G 3 4 184214.61 184214.638 0.0 0.889 8g 2G 1.000 R(1S)2G 4 5 187461.99 R 187461.952 0.0 0.889 9g 2G 1.000 S(1S)2G 5 6 301181.793 1.428 -0.952 W(3P)4D 9 -0.293 W(3F)4D 11 0.049 W(3D)4F 7 7 309168.469 1.253 -0.570 W(3F)2F 17 -0.552 W(3F)4F 8 0.513 W(3F)4D 11 8 309565.709 1.261 0.741 W(3F)2F 17 0.589 W(3F)4D 11 -0.191 W(3P)4D 9 9 309980.248 1.027 0.925 W(3F)4G 6 -0.284 W(3F)4D 11 0.149 W(3F)2G 13 10 311364.118 1.252 -0.811 W(3F)4F 8 -0.412 W(3F)4D 11 0.281 W(3F)2F 17 11 315609.682 0.895 -0.968 W(3F)2G 13 0.167 W(3F)4G 6 -0.151 W(1F)2G 12 12 324410.031 1.394 -0.902 W(3D)4D 10 -0.286 W(1F)2F 15 0.221 W(3F)4D 11 13 326432.328 1.197 0.687 W(3D)4F 7 0.501 W(1D)2F 14 0.289 W(3D)4D 10 14 327196.184 1.157 -0.580 W(1F)2F 15 -0.517 W(3D)4F 7 0.514 W(1D)2F 14 15 328649.826 1.028 -0.727 W(1F)2G 12 -0.448 W(3D)2F 16 0.441 W(3D)4F 7 16 329518.872 1.084 0.530 W(1F)2F 15 0.511 W(1D)2F 14 -0.500 W(1F)2G 12 17 332713.078 1.123 0.735 W(3D)2F 16 -0.457 W(1F)2F 15 -0.390 W(1D)2F 14 18 368548.863 1.430 1.000 X(3P)4D 18 21.02 J 4.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 160072.18 160072.403 0.2 1.111 5g 2G 1.000 O(1S)2G 1 2 172177.41 172177.602 0.2 1.111 6g 2G -1.000 P(1S)2G 2 3 179477.24 179477.220 0.0 1.111 7g 2G -1.000 Q(1S)2G 3 4 184214.61 184214.638 0.0 1.111 8g 2G -1.000 R(1S)2G 4 5 187461.99 R 187461.952 0.0 1.111 9g 2G 1.000 S(1S)2G 5 6 309031.875 1.207 -0.863 W(3F)4G 6 0.476 W(3F)4F 8 -0.161 W(3F)2G 10 7 309843.835 1.297 -0.871 W(3F)4F 8 -0.462 W(3F)4G 6 0.135 W(3D)4F 7 8 314053.058 1.114 -0.981 W(3F)2G 10 0.181 W(3F)4G 6 -0.071 W(3D)4F 7 9 326277.694 1.296 0.905 W(3D)4F 7 0.405 W(1F)2G 9 0.106 W(3F)4F 8 10 329556.058 1.148 -0.911 W(1F)2G 9 0.396 W(3D)4F 7 0.090 W(3F)4G 6 21.02 J 5.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 179516.63 P 179516.600 0.0 0.923 7i 2I 1.000 T(1S)2I 1 2 184241.95 P 184242.000 0.0 0.923 8i 2I 1.000 U(1S)2I 2 3 187481.65 R 187481.600 0.0 0.923 9i 2I 1.000 V(1S)2I 3 4 308548.494 1.273 1.000 W(3F)4G 4 21.02 J 6.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 179516.63 P 179516.600 0.0 1.077 7i 2I 1.000 T(1S)2I 1 2 184241.95 P 184242.000 0.0 1.077 8i 2I 1.000 U(1S)2I 2 3 187481.65 R 187481.600 0.0 1.077 9i 2I 1.000 V(1S)2I 3 21.02 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 3p6 3d 1 1 EAV 1231.4 0.1 0.0 1231.4 0.0 0.000 1.000 0 1227.0 0 2 1 ZETA 2 79.0 0.1 0.0 79.0 90.3 0.875 1.000 0 0.0 0 3p6 4d 3 2 EAV 113093.9 0.1 0.0 113093.9 111647.2 0.000 1.000 0 0.0 0 4 2 ZETA 6 16.7 0.1 0.0 16.7 15.5 1.079 1.000 0 0.0 0 3p6 5d 5 3 EAV 148493.9 0.1 0.0 148493.9 147067.4 0.000 1.000 0 0.0 0 6 3 ZETA 6 7.4 0.1 0.0 7.4 7.1 1.036 1.000 0 0.0 0 3p6 6d 7 4 EAV 165788.2 0.1 0.0 165788.2 164250.3 0.000 1.000 0 0.0 0 8 4 ZETA 6 3.8 0.0 0.0 3.8 3.8 1.000 FIXEDHF 1.000 0 0.0 0 3p6 7d 9 5 EAV 175574.6 0.1 0.0 175574.6 173965.6 0.000 1.000 0 0.0 0 10 5 ZETA 6 2.3 0.0 0.0 2.3 2.3 1.000 FIXEDHF 1.000 0 0.0 0 3p6 8d 11 6 EAV 181655.6 0.1 0.0 181655.6 180002.3 0.000 1.000 0 0.0 0 12 6 ZETA 6 1.5 0.0 0.0 1.5 1.5 1.000 FIXEDHF 1.000 0 0.0 0 3p6 9d 13 7 EAV 185693.1 0.1 0.0 185693.1 184013.1 0.000 1.000 0 0.0 0 14 7 ZETA 6 1.0 0.0 0.0 1.0 1.0 1.000 FIXEDHF 1.000 0 0.0 0 3p6 10d 15 8 EAV 188510.7 0.1 0.0 188510.7 186812.1 0.000 1.000 0 0.0 0 16 8 ZETA 6 0.7 0.0 0.0 0.7 0.7 1.000 FIXEDHF 1.000 0 0.0 0 3p6 11d 17 9 EAV 190554.8 0.1 0.0 190554.8 188843.1 0.000 1.000 0 0.0 0 18 9 ZETA 6 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.0 0 3p6 12d 19 A EAV 192084.8 0.1 0.0 192084.8 190366.3 0.000 1.000 0 0.0 0 20 A ZETA 6 0.4 0.0 0.0 0.4 0.4 1.000 FIXEDHF 1.000 0 0.0 0 3p6 13d 21 B EAV 193259.7 0.1 0.0 193259.7 191534.1 0.000 1.000 0 0.0 0 22 B ZETA 6 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 3p6 14d 23 C EAV 194181.5 0.1 0.0 194181.5 192451.4 0.000 1.000 0 0.0 0 24 C ZETA 6 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 3p6 4s 25 D EAV 28868.5 0.2 0.0 28868.5 23891.0 0.000 1.000 0 0.0 0 3p6 5s 26 E EAV 115053.4 0.2 0.0 115053.4 113550.5 0.000 1.000 0 0.0 0 3p6 6s 27 F EAV 149267.2 0.2 0.0 149267.2 147681.5 0.000 1.000 0 0.0 0 3p6 7s 28 G EAV 166194.3 0.2 0.0 166194.3 164543.1 0.000 1.000 0 0.0 0 3p6 8s 29 H EAV 175817.4 0.2 0.0 175817.4 174130.9 0.000 1.000 0 0.0 0 3p6 9s 30 I EAV 181812.9 0.2 0.0 181812.9 180106.1 0.000 1.000 0 0.0 0 3p6 10s 31 J EAV 185801.0 0.2 0.0 185801.0 184082.9 0.000 1.000 0 0.0 0 3p6 11s 32 K EAV 188587.9 0.2 0.0 188587.9 186862.2 0.000 1.000 0 0.0 0 3p6 12s 33 L EAV 190612.1 0.2 0.0 190612.1 188879.6 0.000 1.000 0 0.0 0 3p6 13s 34 M EAV 192128.5 0.2 0.0 192128.5 190393.4 0.000 1.000 0 0.0 0 3p6 14s 35 N EAV 193293.8 0.2 0.0 193293.8 191555.5 0.000 1.000 0 0.0 0 3p6 5g 36 O EAV 160072.3 0.1 0.0 160072.3 158321.8 0.000 1.000 0 0.0 0 37 O ZETA 7 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 6g 38 P EAV 172177.5 0.1 0.0 172177.5 170413.0 0.000 1.000 0 0.0 0 39 P ZETA 7 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 7g 40 Q EAV 179477.3 0.1 0.0 179477.3 177715.3 0.000 1.000 0 0.0 0 41 Q ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 8g 42 R EAV 184214.7 0.1 0.0 184214.7 182456.1 0.000 1.000 0 0.0 0 43 R ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 9g 44 S EAV 187462.0 0.1 0.0 187462.0 185706.5 0.000 1.000 0 0.0 0 45 S ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 7i 46 T EAV 179516.6 0.1 0.0 179516.6 177774.2 0.000 1.000 0 0.0 0 47 T ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 8i 48 U EAV 184242.0 0.1 0.0 184242.0 182498.0 0.000 1.000 0 0.0 0 49 U ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 9i 50 V EAV 187481.6 0.1 0.0 187481.6 185737.3 0.000 1.000 0 0.0 0 51 V ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 52 W EAV 322856.3 0.0 0.0 322856.3 322856.3 0.000 FIXEDHF 1.000 0 0.0 0 53 W ZETA 1 2793.3 0.0 0.0 2793.3 2793.3 1.000 FIXEDHF 1.000 0 0.0 0 54 W ZETA 2 116.8 0.0 0.0 116.8 116.8 1.000 FIXEDHF 1.000 0 0.0 0 55 W ZETA 4 359.5 0.0 0.0 359.5 359.5 1.000 FIXEDHF 1.000 0 0.0 0 56 W F2(12) 62228.0 0.0 0.0 62228.0 77785.0 0.800 FIXEDHF 0.800 0 0.0 0 57 W F2(14) 13244.6 0.0 0.0 13244.6 16555.7 0.800 FIXEDHF 0.800 0 0.0 0 58 W F2(24) 15238.0 0.0 0.0 15238.0 19047.5 0.800 FIXEDHF 0.800 0 0.0 0 59 W G1(12) 77561.6 0.0 0.0 77561.6 96952.0 0.800 FIXEDHF 0.800 0 0.0 0 60 W G3(12) 47216.9 0.0 0.0 47216.9 59021.1 0.800 FIXEDHF 0.800 0 0.0 0 61 W G0(14) 4297.7 0.0 0.0 4297.7 5372.1 0.800 FIXEDHF 0.800 0 0.0 0 62 W G2(14) 4429.5 0.0 0.0 4429.5 5536.9 0.800 FIXEDHF 0.800 0 0.0 0 63 W G1(24) 5848.9 0.0 0.0 5848.9 7311.1 0.800 FIXEDHF 0.800 0 0.0 0 64 W G3(24) 5317.5 0.0 0.0 5317.5 6646.9 0.800 FIXEDHF 0.800 0 0.0 0 3p5 4s4p 65 X EAV 378298.2 0.0 0.0 378298.2 378298.2 0.000 FIXEDHF 1.000 0 0.0 0 66 X ZETA 1 2945.9 0.0 0.0 2945.9 2945.9 1.000 FIXEDHF 1.000 0 0.0 0 67 X ZETA 4 431.0 0.0 0.0 431.0 431.0 1.000 FIXEDHF 1.000 0 0.0 0 68 X F2(14) 15040.6 0.0 0.0 15040.6 18800.8 0.800 FIXEDHF 0.800 0 0.0 0 69 X G1(13) 5953.4 0.0 0.0 5953.4 7441.8 0.800 FIXEDHF 0.800 0 0.0 0 70 X G0(14) 4730.9 0.0 0.0 4730.9 5913.6 0.800 FIXEDHF 0.800 0 0.0 0 71 X G2(14) 4995.7 0.0 0.0 4995.7 6244.6 0.800 FIXEDHF 0.800 0 0.0 0 72 X G1(34) 34948.1 0.0 0.0 34948.1 43685.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 73 1W 0D1114 2408.0 0.0 0.0 2408.0 3010.0 0.800 FIXEDHF 0.800 0 0.0 0 74 1W 2D1114 11047.2 0.0 0.0 11047.2 13809.0 0.800 FIXEDHF 0.800 0 0.0 0 75 1W 1D1224 1123.5 0.0 0.0 1123.5 1404.4 0.800 FIXEDHF 0.800 0 0.0 0 76 1W 3D1224 3747.8 0.0 0.0 3747.8 4684.8 0.800 FIXEDHF 0.800 0 0.0 0 77 1W 0E1224 350.8 0.0 0.0 350.8 438.5 0.800 FIXEDHF 0.800 0 0.0 0 78 1W 2E1224 7123.4 0.0 0.0 7123.4 8904.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 79 1X 1D1234 7168.7 0.0 0.0 7168.7 8960.9 0.800 FIXEDHF 0.800 0 0.0 0 80 1X 2E1234 6469.5 0.0 0.0 6469.5 8086.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 81 2W 1D1624 15906.6 0.0 0.0 15906.6 19883.2 0.800 FIXEDHF 0.800 0 0.0 0 82 2W 3D1624 5456.4 0.0 0.0 5456.4 6820.5 0.800 FIXEDHF 0.800 0 0.0 0 83 2W 0E1624 4780.7 0.0 0.0 4780.7 5975.9 0.800 FIXEDHF 0.800 0 0.0 0 84 2W 2E1624 3936.2 0.0 0.0 3936.2 4920.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 85 2X 1D1634 -2751.0 0.0 0.0 -2751.0 -3438.8 0.800 FIXEDHF 0.800 0 0.0 0 86 2X 2E1634 -916.7 0.0 0.0 -916.7 -1145.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 87 3W 1D1624 9542.9 0.0 0.0 9542.9 11928.6 0.800 FIXEDHF 0.800 0 0.0 0 88 3W 3D1624 3769.9 0.0 0.0 3769.9 4712.4 0.800 FIXEDHF 0.800 0 0.0 0 89 3W 0E1624 3002.6 0.0 0.0 3002.6 3753.2 0.800 FIXEDHF 0.800 0 0.0 0 90 3W 2E1624 2663.5 0.0 0.0 2663.5 3329.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 91 3X 1D1634 -1531.8 0.0 0.0 -1531.8 -1914.7 0.800 FIXEDHF 0.800 0 0.0 0 92 3X 2E1634 -680.1 0.0 0.0 -680.1 -850.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 93 4W 1D1624 6648.2 0.0 0.0 6648.2 8310.3 0.800 FIXEDHF 0.800 0 0.0 0 94 4W 3D1624 2773.2 0.0 0.0 2773.2 3466.5 0.800 FIXEDHF 0.800 0 0.0 0 95 4W 0E1624 2135.5 0.0 0.0 2135.5 2669.4 0.800 FIXEDHF 0.800 0 0.0 0 96 4W 2E1624 1951.7 0.0 0.0 1951.7 2439.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 97 4X 1D1634 -1011.1 0.0 0.0 -1011.1 -1263.9 0.800 FIXEDHF 0.800 0 0.0 0 98 4X 2E1634 -492.8 0.0 0.0 -492.8 -616.0 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 99 5W 1D1624 4998.1 0.0 0.0 4998.1 6247.6 0.800 FIXEDHF 0.800 0 0.0 0 100 5W 3D1624 2144.6 0.0 0.0 2144.6 2680.7 0.800 FIXEDHF 0.800 0 0.0 0 101 5W 0E1624 1625.0 0.0 0.0 1625.0 2031.2 0.800 FIXEDHF 0.800 0 0.0 0 102 5W 2E1624 1508.0 0.0 0.0 1508.0 1885.0 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 103 5X 1D1634 -733.6 0.0 0.0 -733.6 -917.0 0.800 FIXEDHF 0.800 0 0.0 0 104 5X 2E1634 -374.0 0.0 0.0 -374.0 -467.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 105 6W 1D1624 3943.4 0.0 0.0 3943.4 4929.3 0.800 FIXEDHF 0.800 0 0.0 0 106 6W 3D1624 1720.9 0.0 0.0 1720.9 2151.1 0.800 FIXEDHF 0.800 0 0.0 0 107 6W 0E1624 1292.2 0.0 0.0 1292.2 1615.2 0.800 FIXEDHF 0.800 0 0.0 0 108 6W 2E1624 1210.0 0.0 0.0 1210.0 1512.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 109 6X 1D1634 -564.9 0.0 0.0 -564.9 -706.1 0.800 FIXEDHF 0.800 0 0.0 0 110 6X 2E1634 -295.5 0.0 0.0 -295.5 -369.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 111 7W 1D1624 3218.2 0.0 0.0 3218.2 4022.8 0.800 FIXEDHF 0.800 0 0.0 0 112 7W 3D1624 1420.0 0.0 0.0 1420.0 1775.0 0.800 FIXEDHF 0.800 0 0.0 0 113 7W 0E1624 1060.3 0.0 0.0 1060.3 1325.4 0.800 FIXEDHF 0.800 0 0.0 0 114 7W 2E1624 998.6 0.0 0.0 998.6 1248.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 115 7X 1D1634 -453.1 0.0 0.0 -453.1 -566.4 0.800 FIXEDHF 0.800 0 0.0 0 116 7X 2E1634 -241.0 0.0 0.0 -241.0 -301.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 117 8W 1D1624 2693.2 0.0 0.0 2693.2 3366.5 0.800 FIXEDHF 0.800 0 0.0 0 118 8W 3D1624 1197.5 0.0 0.0 1197.5 1496.9 0.800 FIXEDHF 0.800 0 0.0 0 119 8W 0E1624 890.9 0.0 0.0 890.9 1113.6 0.800 FIXEDHF 0.800 0 0.0 0 120 8W 2E1624 842.3 0.0 0.0 842.3 1052.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 121 8X 1D1634 -374.5 0.0 0.0 -374.5 -468.1 0.800 FIXEDHF 0.800 0 0.0 0 122 8X 2E1634 -201.4 0.0 0.0 -201.4 -251.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 123 9W 1D1624 2298.2 0.0 0.0 2298.2 2872.7 0.800 FIXEDHF 0.800 0 0.0 0 124 9W 3D1624 1027.5 0.0 0.0 1027.5 1284.4 0.800 FIXEDHF 0.800 0 0.0 0 125 9W 0E1624 762.5 0.0 0.0 762.5 953.1 0.800 FIXEDHF 0.800 0 0.0 0 126 9W 2E1624 723.0 0.0 0.0 723.0 903.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 127 9X 1D1634 -316.5 0.0 0.0 -316.5 -395.6 0.800 FIXEDHF 0.800 0 0.0 0 128 9X 2E1634 -171.6 0.0 0.0 -171.6 -214.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 129 AW 1D1624 1991.8 0.0 0.0 1991.8 2489.7 0.800 FIXEDHF 0.800 0 0.0 0 130 AW 3D1624 894.3 0.0 0.0 894.3 1117.9 0.800 FIXEDHF 0.800 0 0.0 0 131 AW 0E1624 662.4 0.0 0.0 662.4 828.0 0.800 FIXEDHF 0.800 0 0.0 0 132 AW 2E1624 629.4 0.0 0.0 629.4 786.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 133 AX 1D1634 -272.2 0.0 0.0 -272.2 -340.3 0.800 FIXEDHF 0.800 0 0.0 0 134 AX 2E1634 -148.6 0.0 0.0 -148.6 -185.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 135 BW 1D1624 1748.3 0.0 0.0 1748.3 2185.4 0.800 FIXEDHF 0.800 0 0.0 0 136 BW 3D1624 787.6 0.0 0.0 787.6 984.5 0.800 FIXEDHF 0.800 0 0.0 0 137 BW 0E1624 582.5 0.0 0.0 582.5 728.1 0.800 FIXEDHF 0.800 0 0.0 0 138 BW 2E1624 554.3 0.0 0.0 554.3 692.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 139 BX 1D1634 -237.6 0.0 0.0 -237.6 -297.0 0.800 FIXEDHF 0.800 0 0.0 0 140 BX 2E1634 -130.2 0.0 0.0 -130.2 -162.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 141 CW 1D1624 1551.0 0.0 0.0 1551.0 1938.7 0.800 FIXEDHF 0.800 0 0.0 0 142 CW 3D1624 700.5 0.0 0.0 700.5 875.6 0.800 FIXEDHF 0.800 0 0.0 0 143 CW 0E1624 517.6 0.0 0.0 517.6 647.0 0.800 FIXEDHF 0.800 0 0.0 0 144 CW 2E1624 493.1 0.0 0.0 493.1 616.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 145 CX 1D1634 -209.8 0.0 0.0 -209.8 -262.2 0.800 FIXEDHF 0.800 0 0.0 0 146 CX 2E1634 -115.4 0.0 0.0 -115.4 -144.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 3d4p 147 DW 1D1324 26306.1 0.0 0.0 26306.1 32882.6 0.800 FIXEDHF 0.800 0 0.0 0 148 DW 2E1324 4857.3 0.0 0.0 4857.3 6071.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 149 DX 0D1114 2492.2 0.0 0.0 2492.2 3115.2 0.800 FIXEDHF 0.800 0 0.0 0 150 DX 2D1114 11368.0 0.0 0.0 11368.0 14210.0 0.800 FIXEDHF 0.800 0 0.0 0 151 DX 1D1334 -6141.9 0.0 0.0 -6141.9 -7677.4 0.800 FIXEDHF 0.800 0 0.0 0 152 DX 0E1334 -925.3 0.0 0.0 -925.3 -1156.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 153 EW 1D1524 6174.3 0.0 0.0 6174.3 7717.9 0.800 FIXEDHF 0.800 0 0.0 0 154 EW 2E1524 2313.6 0.0 0.0 2313.6 2892.0 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 155 EX 1D1534 -413.4 0.0 0.0 -413.4 -516.7 0.800 FIXEDHF 0.800 0 0.0 0 156 EX 0E1534 1459.5 0.0 0.0 1459.5 1824.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 157 FW 1D1524 3487.0 0.0 0.0 3487.0 4358.8 0.800 FIXEDHF 0.800 0 0.0 0 158 FW 2E1524 1452.7 0.0 0.0 1452.7 1815.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 159 FX 1D1534 -6.5 0.0 0.0 -6.5 -8.1 0.800 FIXEDHF 0.800 0 0.0 0 160 FX 0E1534 956.1 0.0 0.0 956.1 1195.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 161 GW 1D1524 2363.5 0.0 0.0 2363.5 2954.4 0.800 FIXEDHF 0.800 0 0.0 0 162 GW 2E1524 1030.2 0.0 0.0 1030.2 1287.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 163 GX 1D1534 70.1 0.0 0.0 70.1 87.6 0.800 FIXEDHF 0.800 0 0.0 0 164 GX 0E1534 691.4 0.0 0.0 691.4 864.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 165 HW 1D1524 1752.9 0.0 0.0 1752.9 2191.1 0.800 FIXEDHF 0.800 0 0.0 0 166 HW 2E1524 782.6 0.0 0.0 782.6 978.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 167 HX 1D1534 83.3 0.0 0.0 83.3 104.1 0.800 FIXEDHF 0.800 0 0.0 0 168 HX 0E1534 531.0 0.0 0.0 531.0 663.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 169 IW 1D1524 1372.8 0.0 0.0 1372.8 1716.0 0.800 FIXEDHF 0.800 0 0.0 0 170 IW 2E1524 621.9 0.0 0.0 621.9 777.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 171 IX 1D1534 80.6 0.0 0.0 80.6 100.7 0.800 FIXEDHF 0.800 0 0.0 0 172 IX 0E1534 424.9 0.0 0.0 424.9 531.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 173 JW 1D1524 1115.4 0.0 0.0 1115.4 1394.3 0.800 FIXEDHF 0.800 0 0.0 0 174 JW 2E1524 510.2 0.0 0.0 510.2 637.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 175 JX 1D1534 73.8 0.0 0.0 73.8 92.3 0.800 FIXEDHF 0.800 0 0.0 0 176 JX 0E1534 350.1 0.0 0.0 350.1 437.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 177 KW 1D1524 931.0 0.0 0.0 931.0 1163.7 0.800 FIXEDHF 0.800 0 0.0 0 178 KW 2E1524 428.7 0.0 0.0 428.7 535.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 179 KX 1D1534 66.6 0.0 0.0 66.6 83.2 0.800 FIXEDHF 0.800 0 0.0 0 180 KX 0E1534 295.0 0.0 0.0 295.0 368.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 181 LW 1D1524 793.0 0.0 0.0 793.0 991.3 0.800 FIXEDHF 0.800 0 0.0 0 182 LW 2E1524 367.0 0.0 0.0 367.0 458.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 183 LX 1D1534 59.8 0.0 0.0 59.8 74.7 0.800 FIXEDHF 0.800 0 0.0 0 184 LX 0E1534 253.1 0.0 0.0 253.1 316.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 185 MW 1D1524 686.5 0.0 0.0 686.5 858.1 0.800 FIXEDHF 0.800 0 0.0 0 186 MW 2E1524 318.9 0.0 0.0 318.9 398.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 187 MX 1D1534 53.8 0.0 0.0 53.8 67.2 0.800 FIXEDHF 0.800 0 0.0 0 188 MX 0E1534 220.3 0.0 0.0 220.3 275.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 189 NW 1D1524 602.2 0.0 0.0 602.2 752.7 0.800 FIXEDHF 0.800 0 0.0 0 190 NW 2E1524 280.5 0.0 0.0 280.5 350.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 191 NX 1D1534 48.6 0.0 0.0 48.6 60.7 0.800 FIXEDHF 0.800 0 0.0 0 192 NX 0E1534 194.1 0.0 0.0 194.1 242.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 193 OW 3D1724 -538.0 0.0 0.0 -538.0 -672.5 0.800 FIXEDHF 0.800 0 0.0 0 194 OW 2E1724 -103.0 0.0 0.0 -103.0 -128.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 195 PW 3D1724 -520.9 0.0 0.0 -520.9 -651.1 0.800 FIXEDHF 0.800 0 0.0 0 196 PW 2E1724 -102.2 0.0 0.0 -102.2 -127.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 197 QW 3D1724 -460.2 0.0 0.0 -460.2 -575.3 0.800 FIXEDHF 0.800 0 0.0 0 198 QW 2E1724 -91.6 0.0 0.0 -91.6 -114.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 199 RW 3D1724 -400.0 0.0 0.0 -400.0 -500.0 0.800 FIXEDHF 0.800 0 0.0 0 200 RW 2E1724 -80.2 0.0 0.0 -80.2 -100.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 201 SW 3D1724 -348.2 0.0 0.0 -348.2 -435.3 0.800 FIXEDHF 0.800 0 0.0 0 202 SW 2E1724 -70.2 0.0 0.0 -70.2 -87.8 0.800 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 203 WX 2D1213 2244.7 0.0 0.0 2244.7 2805.9 0.800 FIXEDHF 0.800 0 0.0 0 204 WX 1E1213 5741.0 0.0 0.0 5741.0 7176.3 0.800 FIXEDHF 0.800 0 0.0 0 205 WX 2D2434 -10123.1 0.0 0.0 -10123.1 -12653.9 0.800 FIXEDHF 0.800 0 0.0 0 206 WX 1E2434 -9316.7 0.0 0.0 -9316.7 -11645.9 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 0.2 34 FREE ITERATION 1 KURUCZ job terminated at 16-FEB-2013 11:18:42.47 Accounting information: Buffered I/O count: 172 Peak working set size: 9680 Direct I/O count: 333 Peak virtual size: 322592 Page faults: 2084 Mounted volumes: 0 Charged CPU time: 0 00:00:00.26 Elapsed time: 0 00:00:03.58