$ 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 2203 $SET VERIFY=NOIMAGE $ASSIGN B2203E.PUN FOR007 $ASSIGN H2203E.HAM FOR001 $ASSIGN EAV2203E.DAT FOR066 $ASSIGN C2203E.EIG FOR003 $ASSIGN POOLG:B2203E15 FOR015 $ASSIGN POOLG:B2203E16 FOR016 $RUN CRAY:LEAST3007 NPAR 206 NJ 7 FIRSTJ 0.5 1 p 6 d 1 s 0 p 0 d 0 s 0 g 0 i 0 2 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 3 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 4 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 5 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 6 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 7 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 8 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 9 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 A p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 B p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 C p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 D p 6 d 0 s 1 p 0 d 0 s 0 g 0 i 0 E p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 F p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 G p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 H p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 I p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 J p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 K p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 L p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 M p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 N p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 O p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 P p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 Q p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 R p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 S p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 T p 6 d 0 s 0 p 0 d 0 s 0 g 0 i 1 U p 6 d 0 s 0 p 0 d 0 s 0 g 0 i 1 V p 6 d 0 s 0 p 0 d 0 s 0 g 0 i 1 W p 5 d 1 s 0 p 1 d 0 s 0 g 0 i 0 X p 5 d 0 s 1 p 1 d 0 s 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 Ryabtsev, A.N., Churilov, S.S., and Kononov, E.Ya. 2005. Optics and Spectroscopy 98, 519-527. 6 Swensson, J.W. and Edlen, B. 1974. Physica Scripta 9, 335-337. 7 8 9 1 0 0 0 0.300 1.300 1 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 1 1.0 28 37 34 18 10 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22.03 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 80388.93 3p6(1S)4s 2S 4s 2S 0 0.5 212407.34 3p6(1S)5s 2S 5s 2S 0 0.5 265847.42 3p6(1S)6s 2S 6s 2S 0 0.5 292999.54 3p6(1S)7s 2S 7s 2S 0 0.5 308705.0 3p6(1S)8s 2S 8s 2S 0 0.5 318612.41 R 3p6(1S)9s 2S 9s 2S 0 0.5 325264.26 R 3p6(1S)10s 2S 10s 2S 0 0.5 329946.28 R 3p6(1S)11s 2S 11s 2S 0 0.5 333366.35 R 3p6(1S)12s 2S 12s 2S 0 0.5 335940.55 R 3p6(1S)13s 2S 13s 2S 0 0.5 337926.53 R 3p6(1S)14s 2S 14s 2S 0 -1.0 0 1.5 0.00 3p6(1S)3d 2D 3d 2D 0 1.5 196804.27 3p6(1S)4d 2D 4d 2D 0 1.5 258838.48 3p6(1S)5d 2D 5d 2D 0 1.5 289185.99 3p6(1S)6d 2D 6d 2D 0 1.5 306395.69 3p6(1S)7d 2D 7d 2D 0 1.5 317107.80 R 3p6(1S)8d 2D 8d 2D 0 1.5 324229.53 R 3p6(1S)9d 2D 9d 2D 0 1.5 329204.36 R 3p6(1S)10d 2D 10d 2D 0 1.5 332816.37 R 3p6(1S)11d 2D 11d 2D 0 1.5 335521.60 R 3p6(1S)12d 2D 12d 2D 0 1.5 337600.10 R 3p6(1S)13d 2D 13d 2D 0 1.5 339231.53 R 3p6(1S)14d 2D 14d 2D 0 -1.0 0 2.5 382.1 3p6(1S)3d 2D 3d 2D 0 2.5 196889.96 3p6(1S)4d 2D 4d 2D 0 2.5 258877.08 3p6(1S)5d 2D 5d 2D 0 2.5 289206.93 3p6(1S)6d 2D 6d 2D 0 2.5 306408.30 3p6(1S)7d 2D 7d 2D 0 2.5 317115.97 R 3p6(1S)8d 2D 8d 2D 0 2.5 324235.12 R 3p6(1S)9d 2D 9d 2D 0 2.5 329208.35 R 3p6(1S)10d 2D 10d 2D 0 2.5 332819.31 R 3p6(1S)11d 2D 11d 2D 0 2.5 335523.84 R 3p6(1S)12d 2D 12d 2D 0 2.5 337601.83 R 3p6(1S)13d 2D 13d 2D 0 2.5 339232.90 R 3p6(1S)14d 2D 14d 2D 0 -1.0 0 3.5 278510.63 3p6(1S)5g 2G 5g 2G 0 3.5 300045.9 3p6(1S)6g 2G 6g 2G 0 3.5 313033.9 3p6(1S)7g 2G 7g 2G 0 3.5 321464.2 P 3p6(1S)8g 2G 8g 2G 0 3.5 327242.4 R 3p6(1S)9g 2G 9g 2G 0 -1.0 0 4.5 278511.23 3p6(1S)5g 2G 5g 2G 0 4.5 300046.2 3p6(1S)6g 2G 6g 2G 0 4.5 313034.1 3p6(1S)7g 2G 7g 2G 0 4.5 321464.2 P 3p6(1S)8g 2G 8g 2G 0 4.5 327242.4 R 3p6(1S)9g 2G 9g 2G 0 -1.0 0 5.5 313130.66 3p6(1S)7i 2I 7i 2I 0 5.5 321531.3 3p6(1S)8i 2I 8i 2I 0 5.5 327291.0 R 3p6(1S)9i 2I 9i 2I 0 -1.0 0 6.5 313130.66 3p6(1S)7i 2I 7i 2I 0 6.5 321531.3 3p6(1S)8i 2I 8i 2I 0 6.5 327291.0 R 3p6(1S)9i 2I 9i 2I 206 0.2 43 LEAST SQUARES 1 1 EAV 1319.3 0.0 0.0 1.000 0 1300.0 0 3p6 3d 2 1 ZETA 2 152.7 0.0 164.2 1.000 0 0.0 0 3 2 EAV 198140.7 0.0 196709.0 1.000 0 0.0 0 3p6 4d 4 2 ZETA 5 31.5 0.0 31.0 1.000 0 0.0 0 5 3 EAV 259418.9 0.0 258191.3 1.000 0 0.0 0 3p6 5d 6 3 ZETA 5 14.0 0.0 14.3 1.000 0 0.0 0 7 4 EAV 289507.8 0.0 288064.4 1.000 0 0.0 0 3p6 6d 8 4 ZETA 5 7.4 0.0 7.8 1.000 0 0.0 0 9 5 EAV 306594.5 0.0 305009.8 1.000 0 0.0 0 3p6 7d 10 5 ZETA 5 4.4 0.0 4.7 1.000 0 0.0 0 11 6 EAV 317239.4 0.0 315570.4 1.000 0 0.0 0 3p6 8d 12 6 ZETA 5 2.8 0.0 3.0 1.000 0 0.0 0 13 7 EAV 324321.0 0.0 322600.0 1.000 0 0.0 0 3p6 9d 14 7 ZETA 5 1.9 0.0 2.0 1.000 0 0.0 0 15 8 EAV 329270.4 0.0 327517.5 1.000 0 0.0 0 3p6 10d 16 8 ZETA 5 1.4 0.0 1.5 1.000 0 0.0 0 17 9 EAV 332865.5 0.0 331088.8 1.000 0 0.0 0 3p6 11d 18 9 ZETA 5 1.0 0.0 1.1 1.000 0 0.0 0 19 A EAV 335559.0 0.0 333766.0 1.000 0 0.0 0 3p6 12d 20 A ZETA 5 0.8 0.0 0.8 1.000 0 0.0 0 21 B EAV 337629.1 0.0 335826.0 1.000 0 0.0 0 3p6 13d 22 B ZETA 5 0.6 0.0 0.6 1.000 0 0.0 0 23 C EAV 339254.3 0.0 337443.5 1.000 0 0.0 0 3p6 14d 24 C ZETA 5 0.5 0.0 0.5 1.000 0 0.0 0 25 D EAV 84288.4 0.0 79100.2 1.000 0 0.0 0 3p6 4s 26 E EAV 212691.3 0.0 211246.7 1.000 0 0.0 0 3p6 5s 27 F EAV 265964.2 0.0 264388.5 1.000 0 0.0 0 3p6 6s 28 G EAV 293062.0 0.0 291382.3 1.000 0 0.0 0 3p6 7s 29 H EAV 308742.9 0.0 307007.9 1.000 0 0.0 0 3p6 8s 30 I EAV 318637.2 0.0 316868.3 1.000 0 0.0 0 3p6 9s 31 J EAV 325281.5 0.0 323491.0 1.000 0 0.0 0 3p6 10s 32 K EAV 329958.7 0.0 328156.0 1.000 0 0.0 0 3p6 11s 33 L EAV 333375.6 0.0 331564.6 1.000 0 0.0 0 3p6 12s 34 M EAV 335947.6 0.0 334128.2 1.000 0 0.0 0 3p6 13s 35 N EAV 337932.0 0.0 336108.5 1.000 0 0.0 0 3p6 14s 36 O EAV 278511.4 0.0 276626.4 1.000 0 0.0 0 3p6 5g 37 O ZETA 7 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 38 P EAV 300046.5 0.0 298158.1 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 313034.4 0.0 311160.1 1.000 0 0.0 0 3p6 7g 41 Q ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 42 R EAV 321464.5 0.0 319599.4 1.000 0 0.0 0 3p6 8g 43 R ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 44 S EAV 327242.6 0.0 325384.2 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 313130.7 0.0 311296.8 1.000 0 0.0 0 3p6 7i 47 T ZETA 8 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 48 U EAV 321531.3 0.0 319694.9 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 327291.0 0.0 325452.4 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 428582.5 0.0 428582.5 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 53 W ZETA 1 3754.3 0.0 3754.3 FIXEDHF 1.000 0 0.0 0 54 W ZETA 2 193.4 0.0 193.4 FIXEDHF 1.000 0 0.0 0 55 W ZETA 4 607.2 0.0 607.2 FIXEDHF 1.000 0 0.0 0 56 W F2(12) 71393.3 0.0 89241.6 FIXEDHF 0.800 0 0.0 0 57 W F2(14) 17277.4 0.0 21596.8 FIXEDHF 0.800 0 0.0 0 58 W F2(24) 18665.0 0.0 23331.2 FIXEDHF 0.800 0 0.0 0 59 W G1(12) 88145.4 0.0 110181.7 FIXEDHF 0.800 0 0.0 0 60 W G3(12) 54301.0 0.0 67876.2 FIXEDHF 0.800 0 0.0 0 61 W G0(14) 5404.4 0.0 6755.5 FIXEDHF 0.800 0 0.0 0 62 W G2(14) 5801.3 0.0 7251.6 FIXEDHF 0.800 0 0.0 0 63 W G1(24) 6770.8 0.0 8463.5 FIXEDHF 0.800 0 0.0 0 64 W G3(24) 6372.6 0.0 7965.8 FIXEDHF 0.800 0 0.0 0 65 X EAV 543758.1 0.0 543758.1 FIXEDHF 1.000 0 0.0 0 3p5 4s4p 66 X ZETA 1 3955.4 0.0 3955.4 FIXEDHF 1.000 0 0.0 0 67 X ZETA 4 695.7 0.0 695.7 FIXEDHF 1.000 0 0.0 0 68 X F2(14) 18933.8 0.0 23667.2 FIXEDHF 0.800 0 0.0 0 69 X G1(13) 7130.4 0.0 8913.0 FIXEDHF 0.800 0 0.0 0 70 X G0(14) 5780.0 0.0 7225.0 FIXEDHF 0.800 0 0.0 0 71 X G2(14) 6301.4 0.0 7876.8 FIXEDHF 0.800 0 0.0 0 72 X G1(34) 41180.7 0.0 51475.9 FIXEDHF 0.800 0 0.0 0 73 1W 0D1114 2723.0 0.0 3403.7 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 74 1W 2D1114 12509.5 0.0 15636.9 FIXEDHF 0.800 0 0.0 0 75 1W 1D1224 4995.8 0.0 6244.8 FIXEDHF 0.800 0 0.0 0 76 1W 3D1224 6201.6 0.0 7752.0 FIXEDHF 0.800 0 0.0 0 77 1W 0E1224 687.4 0.0 859.2 FIXEDHF 0.800 0 0.0 0 78 1W 2E1224 9793.3 0.0 12241.6 FIXEDHF 0.800 0 0.0 0 79 1X 1D1234 7909.8 0.0 9887.2 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 80 1X 2E1234 7575.9 0.0 9469.9 FIXEDHF 0.800 0 0.0 0 81 2W 1D1524 23227.2 0.0 29034.0 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 82 2W 3D1524 8403.8 0.0 10504.7 FIXEDHF 0.800 0 0.0 0 83 2W 0E1524 5847.4 0.0 7309.3 FIXEDHF 0.800 0 0.0 0 84 2W 2E1524 5469.0 0.0 6836.3 FIXEDHF 0.800 0 0.0 0 85 2X 1D1534 -4171.6 0.0 -5214.5 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 86 2X 2E1534 -2139.8 0.0 -2674.7 FIXEDHF 0.800 0 0.0 0 87 3W 1D1524 12769.1 0.0 15961.4 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 88 3W 3D1524 5497.3 0.0 6871.6 FIXEDHF 0.800 0 0.0 0 89 3W 0E1524 3641.5 0.0 4551.9 FIXEDHF 0.800 0 0.0 0 90 3W 2E1524 3624.7 0.0 4530.9 FIXEDHF 0.800 0 0.0 0 91 3X 1D1534 -1888.2 0.0 -2360.2 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 92 3X 2E1534 -1208.6 0.0 -1510.8 FIXEDHF 0.800 0 0.0 0 93 4W 1D1524 8565.8 0.0 10707.2 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 94 4W 3D1524 3930.2 0.0 4912.7 FIXEDHF 0.800 0 0.0 0 95 4W 0E1524 2567.5 0.0 3209.4 FIXEDHF 0.800 0 0.0 0 96 4W 2E1524 2616.2 0.0 3270.3 FIXEDHF 0.800 0 0.0 0 97 4X 1D1534 -1117.8 0.0 -1397.2 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 98 4X 2E1534 -778.2 0.0 -972.7 FIXEDHF 0.800 0 0.0 0 99 5W 1D1524 6302.9 0.0 7878.6 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 100 5W 3D1524 2987.3 0.0 3734.1 FIXEDHF 0.800 0 0.0 0 101 5W 0E1524 1940.9 0.0 2426.1 FIXEDHF 0.800 0 0.0 0 102 5W 2E1524 2000.8 0.0 2501.0 FIXEDHF 0.800 0 0.0 0 103 5X 1D1534 -757.6 0.0 -947.0 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 104 5X 2E1534 -551.6 0.0 -689.5 FIXEDHF 0.800 0 0.0 0 105 6W 1D1524 4906.6 0.0 6133.2 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 106 6W 3D1524 2370.5 0.0 2963.1 FIXEDHF 0.800 0 0.0 0 107 6W 0E1524 1536.2 0.0 1920.2 FIXEDHF 0.800 0 0.0 0 108 6W 2E1524 1594.2 0.0 1992.7 FIXEDHF 0.800 0 0.0 0 109 6X 1D1534 -557.4 0.0 -696.8 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 110 6X 2E1534 -417.2 0.0 -521.5 FIXEDHF 0.800 0 0.0 0 111 7W 1D1524 3968.7 0.0 4960.9 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 112 7W 3D1524 1941.3 0.0 2426.6 FIXEDHF 0.800 0 0.0 0 113 7W 0E1524 1256.2 0.0 1570.3 FIXEDHF 0.800 0 0.0 0 114 7W 2E1524 1309.2 0.0 1636.5 FIXEDHF 0.800 0 0.0 0 115 7X 1D1534 -433.2 0.0 -541.5 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 116 7X 2E1534 -330.3 0.0 -412.9 FIXEDHF 0.800 0 0.0 0 117 8W 1D1524 3300.7 0.0 4125.9 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 118 8W 3D1524 1628.3 0.0 2035.4 FIXEDHF 0.800 0 0.0 0 119 8W 0E1524 1052.9 0.0 1316.1 FIXEDHF 0.800 0 0.0 0 120 8W 2E1524 1100.4 0.0 1375.5 FIXEDHF 0.800 0 0.0 0 121 8X 1D1534 -349.9 0.0 -437.4 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 122 8X 2E1534 -270.2 0.0 -337.8 FIXEDHF 0.800 0 0.0 0 123 9W 1D1524 2803.9 0.0 3504.9 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 124 9W 3D1524 1391.8 0.0 1739.7 FIXEDHF 0.800 0 0.0 0 125 9W 0E1524 899.4 0.0 1124.3 FIXEDHF 0.800 0 0.0 0 126 9W 2E1524 941.9 0.0 1177.4 FIXEDHF 0.800 0 0.0 0 127 9X 1D1534 -290.7 0.0 -363.4 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 128 9X 2E1534 -226.7 0.0 -283.4 FIXEDHF 0.800 0 0.0 0 129 AW 1D1524 2422.1 0.0 3027.6 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 130 AW 3D1524 1207.8 0.0 1509.7 FIXEDHF 0.800 0 0.0 0 131 AW 0E1524 780.2 0.0 975.3 FIXEDHF 0.800 0 0.0 0 132 AW 2E1524 818.3 0.0 1022.9 FIXEDHF 0.800 0 0.0 0 133 AX 1D1534 -246.9 0.0 -308.6 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 134 AX 2E1534 -193.9 0.0 -242.4 FIXEDHF 0.800 0 0.0 0 135 BW 1D1524 2120.6 0.0 2650.8 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 136 BW 3D1524 1061.2 0.0 1326.5 FIXEDHF 0.800 0 0.0 0 137 BW 0E1524 685.4 0.0 856.8 FIXEDHF 0.800 0 0.0 0 138 BW 2E1524 719.7 0.0 899.6 FIXEDHF 0.800 0 0.0 0 139 BX 1D1534 -213.2 0.0 -266.5 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 140 BX 2E1534 -168.5 0.0 -210.6 FIXEDHF 0.800 0 0.0 0 141 CW 1D1524 1877.6 0.0 2347.0 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 142 CW 3D1524 942.2 0.0 1177.7 FIXEDHF 0.800 0 0.0 0 143 CW 0E1524 608.5 0.0 760.6 FIXEDHF 0.800 0 0.0 0 144 CW 2E1524 639.4 0.0 799.3 FIXEDHF 0.800 0 0.0 0 145 CX 1D1534 -186.7 0.0 -233.4 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 146 CX 2E1534 -148.2 0.0 -185.3 FIXEDHF 0.800 0 0.0 0 147 DW 1D1324 32226.9 0.0 40283.6 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 3d4p 148 DW 2E1324 6158.5 0.0 7698.1 FIXEDHF 0.800 0 0.0 0 149 DX 0D1114 2791.4 0.0 3489.3 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 150 DX 2D1114 12757.4 0.0 15946.7 FIXEDHF 0.800 0 0.0 0 151 DX 1D1334 -6660.1 0.0 -8325.1 FIXEDHF 0.800 0 0.0 0 152 DX 0E1334 -1011.8 0.0 -1264.8 FIXEDHF 0.800 0 0.0 0 153 EW 1D1624 7999.4 0.0 9999.3 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 154 EW 2E1624 3042.8 0.0 3803.5 FIXEDHF 0.800 0 0.0 0 155 EX 1D1634 -160.9 0.0 -201.1 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 156 EX 0E1634 1858.7 0.0 2323.4 FIXEDHF 0.800 0 0.0 0 157 FW 1D1624 4553.2 0.0 5691.5 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 158 FW 2E1624 1938.3 0.0 2422.9 FIXEDHF 0.800 0 0.0 0 159 FX 1D1634 227.1 0.0 283.9 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 160 FX 0E1634 1239.4 0.0 1549.2 FIXEDHF 0.800 0 0.0 0 161 GW 1D1624 3102.8 0.0 3878.5 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 162 GW 2E1624 1386.1 0.0 1732.6 FIXEDHF 0.800 0 0.0 0 163 GX 1D1634 261.7 0.0 327.1 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 164 GX 0E1634 905.8 0.0 1132.3 FIXEDHF 0.800 0 0.0 0 165 HW 1D1624 2310.6 0.0 2888.2 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 166 HW 2E1624 1059.2 0.0 1324.0 FIXEDHF 0.800 0 0.0 0 167 HX 1D1634 240.5 0.0 300.6 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 168 HX 0E1634 700.7 0.0 875.9 FIXEDHF 0.800 0 0.0 0 169 IW 1D1624 1815.5 0.0 2269.4 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 170 IW 2E1624 845.4 0.0 1056.7 FIXEDHF 0.800 0 0.0 0 171 IX 1D1634 211.4 0.0 264.3 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 172 IX 0E1634 563.6 0.0 704.5 FIXEDHF 0.800 0 0.0 0 173 JW 1D1624 1479.3 0.0 1849.1 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 174 JW 2E1624 695.8 0.0 869.8 FIXEDHF 0.800 0 0.0 0 175 JX 1D1634 184.6 0.0 230.7 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 176 JX 0E1634 466.3 0.0 582.9 FIXEDHF 0.800 0 0.0 0 177 KW 1D1624 1237.5 0.0 1546.9 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 178 KW 2E1624 586.3 0.0 732.9 FIXEDHF 0.800 0 0.0 0 179 KX 1D1634 161.7 0.0 202.1 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 180 KX 0E1634 394.3 0.0 492.9 FIXEDHF 0.800 0 0.0 0 181 LW 1D1624 1056.3 0.0 1320.4 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 182 LW 2E1624 503.0 0.0 628.8 FIXEDHF 0.800 0 0.0 0 183 LX 1D1634 142.6 0.0 178.2 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 184 LX 0E1634 339.2 0.0 424.0 FIXEDHF 0.800 0 0.0 0 185 MW 1D1624 916.1 0.0 1145.1 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 186 MW 2E1624 437.9 0.0 547.4 FIXEDHF 0.800 0 0.0 0 187 MX 1D1634 126.6 0.0 158.2 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 188 MX 0E1634 295.9 0.0 369.9 FIXEDHF 0.800 0 0.0 0 189 NW 1D1624 804.8 0.0 1006.0 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 190 NW 2E1624 385.8 0.0 482.3 FIXEDHF 0.800 0 0.0 0 191 NX 1D1634 113.2 0.0 141.5 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 192 NX 0E1634 261.1 0.0 326.4 FIXEDHF 0.800 0 0.0 0 193 OW 3D1724 -1053.5 0.0 -1316.9 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 194 OW 2E1724 -191.4 0.0 -239.3 FIXEDHF 0.800 0 0.0 0 195 PW 3D1724 -998.6 0.0 -1248.3 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 196 PW 2E1724 -186.0 0.0 -232.5 FIXEDHF 0.800 0 0.0 0 197 QW 3D1724 -871.3 0.0 -1089.1 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 198 QW 2E1724 -164.3 0.0 -205.4 FIXEDHF 0.800 0 0.0 0 199 RW 3D1724 -751.2 0.0 -939.0 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 200 RW 2E1724 -142.7 0.0 -178.4 FIXEDHF 0.800 0 0.0 0 201 SW 3D1724 -650.2 0.0 -812.8 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 202 SW 2E1724 -124.2 0.0 -155.2 FIXEDHF 0.800 0 0.0 0 203 WX 2D1213 4530.8 0.0 5663.5 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 204 WX 1E1213 7580.1 0.0 9475.1 FIXEDHF 0.800 0 0.0 0 205 WX 2D2434 -10137.0 0.0 -12671.3 FIXEDHF 0.800 0 0.0 0 206 WX 1E2434 -8956.6 0.0 -11195.8 FIXEDHF 0.800 0 0.0 0 22.03 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 80388.93 80388.934 0.0 2.002 4s 2S 0.996 D(2S)2S 1 0.079 W(1P)2S 21 0.034 X(3P)2S 28 2 212407.34 212407.368 0.0 2.002 5s 2S -1.000 E(1S)2S 2 3 265847.42 265847.440 0.0 2.002 6s 2S 1.000 F(1S)2S 3 4 292999.54 292999.568 0.0 2.002 7s 2S 1.000 G(1S)2S 4 5 308705.0 308705.031 0.0 2.002 8s 2S -1.000 H(1S)2S 5 6 318612.41 R 318612.365 0.0 2.002 9s 2S 1.000 I(1S)2S 6 7 325264.26 R 325264.301 0.0 2.002 10s 2S 1.000 J(1S)2S 7 8 329946.28 R 329946.291 0.0 2.002 11s 2S -1.000 K(1S)2S 8 9 333366.35 R 333366.354 0.0 2.002 12s 2S 1.000 L(1S)2S 9 10 335940.55 R 335940.531 0.0 2.002 13s 2S -1.000 M(1S)2S 10 11 337926.53 R 337926.484 0.0 2.002 14s 2S -1.000 N(1S)2S 11 12 400423.756 0.042 0.951 W(3P)4D 12 0.211 W(3F)4D 14 0.189 W(3P)2P 19 13 402672.071 2.637 0.987 W(3P)4P 15 0.120 W(3P)2S 22 -0.074 W(3P)4D 12 14 404293.577 0.662 0.964 W(3P)2P 19 -0.173 W(3P)4D 12 0.131 W(3P)2S 22 15 411496.444 1.982 0.979 W(3P)2S 22 -0.121 W(3P)2P 19 -0.120 W(3P)4P 15 16 416098.007 0.013 -0.903 W(3F)4D 14 -0.333 W(3D)4D 13 0.244 W(3P)4D 12 17 432158.585 0.009 -0.932 W(3D)4D 13 0.342 W(3F)4D 14 -0.105 W(3D)2P 20 18 437283.832 1.174 0.764 W(1D)2P 18 0.509 W(3D)4P 16 0.375 W(3D)2P 20 19 438165.506 2.133 -0.854 W(3D)4P 16 0.412 W(1D)2P 18 0.308 W(3D)2P 20 20 441229.161 0.683 0.857 W(3D)2P 20 -0.482 W(1D)2P 18 -0.118 W(3P)2P 19 J 0.5 21 520489.954 0.669 -0.971 W(1P)2P 17 -0.225 X(1P)2P 25 0.052 W(1P)2S 21 22 528232.576 1.999 0.975 W(1P)2S 21 0.188 X(1P)2S 27 -0.085 D(2S)2S 1 23 535184.833 0.256 -0.913 X(3P)4D 23 0.269 X(3P)4P 24 0.241 X(1P)2P 25 24 539172.943 2.352 0.917 X(3P)4P 24 0.314 X(3P)4D 23 -0.210 X(1P)2S 27 25 542121.090 0.699 0.743 X(1P)2P 25 0.551 X(3P)2P 26 0.259 X(3P)4D 23 26 548238.404 2.017 -0.933 X(1P)2S 27 -0.240 X(3P)4P 24 0.166 W(1P)2S 21 27 569165.515 0.825 0.770 X(3P)2P 26 -0.525 X(1P)2P 25 -0.317 X(3P)2S 28 28 575652.740 1.854 0.933 X(3P)2S 28 0.266 X(3P)2P 26 -0.198 X(1P)2P 25 28 VECTORS WRITTEN TO UNIT 3 22.03 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 -0.065 -0.1 0.800 3d 2D 0.999 1(2D)2D 1 0.033 W(3F)2D 26 2 196804.27 196804.314 0.0 0.800 4d 2D -0.997 2(1S)2D 2 0.042 W(1P)2D 21 -0.038 W(3F)2D 26 3 258838.48 258838.424 -0.1 0.800 5d 2D 0.998 3(1S)2D 3 0.031 W(3F)2D 26 4 289185.99 289186.082 0.1 0.800 6d 2D 0.999 4(1S)2D 4 5 306395.69 306395.700 0.0 0.800 7d 2D 0.999 5(1S)2D 5 6 317107.80 R 317107.871 0.1 0.800 8d 2D -0.999 6(1S)2D 6 7 324229.53 R 324229.570 0.0 0.800 9d 2D 0.999 7(1S)2D 7 8 329204.36 R 329204.324 0.0 0.800 10d 2D 0.999 8(1S)2D 8 9 332816.37 R 332816.405 0.0 0.800 11d 2D 0.999 9(1S)2D 9 10 335521.60 R 335521.535 -0.1 0.800 12d 2D -1.000 A(1S)2D 10 11 337600.10 R 337600.048 -0.1 0.800 13d 2D 1.000 B(1S)2D 11 12 339231.53 R 339231.466 -0.1 0.800 14d 2D 1.000 C(1S)2D 12 13 401086.177 1.212 -0.952 W(3P)4D 15 -0.230 W(3F)4D 17 -0.143 W(3P)4P 18 14 403201.484 1.719 0.926 W(3P)4P 18 0.267 W(3P)4S 20 -0.216 W(3P)2P 29 15 405013.362 1.399 -0.862 W(3P)2P 29 0.305 W(3P)4S 20 -0.289 W(3P)4P 18 16 406700.560 1.883 0.909 W(3P)4S 20 0.329 W(3P)2P 29 -0.168 W(3P)4P 18 17 409705.637 0.845 -0.916 W(3P)2D 24 0.272 W(3P)2P 29 0.207 W(3F)2D 26 18 414966.879 1.004 0.775 W(3F)4D 17 -0.488 W(3F)4F 14 0.289 W(3D)4D 16 19 417007.820 0.614 0.846 W(3F)4F 14 0.473 W(3F)4D 17 -0.128 W(3P)4D 15 20 423629.717 0.798 -0.641 W(1D)2D 22 0.616 W(3F)2D 26 -0.338 W(1F)2D 23 J 1.5 21 431387.930 1.092 0.814 W(3D)4D 16 0.352 W(3D)2D 25 -0.266 W(1F)2D 23 22 432664.168 0.797 0.551 W(3D)2D 25 -0.501 W(3F)2D 26 0.437 W(3D)4F 13 23 433596.012 0.530 0.879 W(3D)4F 13 0.295 W(3D)4D 16 -0.258 W(3D)2D 25 24 436886.791 1.504 -0.707 W(3D)4P 19 -0.617 W(1D)2P 28 -0.232 W(3D)2P 30 25 438297.112 1.129 0.589 W(3D)2P 30 0.483 W(1F)2D 23 -0.479 W(1D)2D 22 26 438445.006 1.415 0.757 W(1D)2P 28 -0.568 W(3D)4P 19 0.244 W(1D)2D 22 27 440581.721 1.130 -0.758 W(3D)2P 30 0.422 W(1F)2D 23 -0.363 W(1D)2D 22 28 452044.378 0.801 0.649 W(3D)2D 25 0.540 W(1F)2D 23 0.370 W(3F)2D 26 29 520918.062 1.326 -0.963 W(1P)2P 27 -0.219 X(1P)2P 36 0.130 W(1P)2D 21 30 523073.208 0.811 -0.930 W(1P)2D 21 -0.306 X(1P)2D 34 -0.132 W(1P)2P 27 31 526172.502 1.987 0.978 X(3P)4S 33 -0.186 X(3P)4P 32 -0.070 W(1P)2P 27 32 533879.362 1.221 -0.897 X(3P)4D 31 0.287 X(3P)4P 32 -0.199 X(1P)2D 34 33 538257.154 1.394 0.742 X(3P)4P 32 0.440 X(1P)2D 34 0.283 X(3P)2D 35 34 541202.470 1.091 -0.623 X(1P)2D 34 0.484 X(3P)4P 32 -0.400 X(3P)2D 35 35 543690.845 1.375 0.722 X(1P)2P 36 0.556 X(3P)2P 37 -0.312 X(3P)4P 32 36 564493.428 1.046 0.624 X(3P)2D 35 -0.542 X(3P)2P 37 0.400 X(1P)2P 36 37 568934.583 1.087 -0.588 X(3P)2P 37 -0.576 X(3P)2D 35 0.430 X(1P)2P 36 37 VECTORS WRITTEN TO UNIT 3 22.03 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 1 382.1 382.060 0.0 1.200 3d 2D 0.999 1(2D)2D 1 0.033 W(3F)2D 30 2 196889.96 196889.996 0.0 1.200 4d 2D -0.998 2(1S)2D 2 0.041 W(1P)2D 25 -0.038 W(3F)2D 30 3 258877.08 258877.139 0.1 1.200 5d 2D 0.998 3(1S)2D 3 0.031 W(3F)2D 30 4 289206.93 289206.908 0.0 1.200 6d 2D 0.999 4(1S)2D 4 5 306408.30 306408.248 -0.1 1.200 7d 2D 0.999 5(1S)2D 5 6 317115.97 R 317115.946 0.0 1.200 8d 2D 0.999 6(1S)2D 6 7 324235.12 R 324235.092 0.0 1.200 9d 2D 0.999 7(1S)2D 7 8 329208.35 R 329208.394 0.0 1.200 10d 2D 0.999 8(1S)2D 8 9 332819.31 R 332819.334 0.0 1.200 11d 2D -0.999 9(1S)2D 9 10 335523.84 R 335523.865 0.0 1.200 12d 2D 1.000 A(1S)2D 10 11 337601.83 R 337601.805 0.0 1.200 13d 2D -1.000 B(1S)2D 11 12 339232.90 R 339232.916 0.0 1.200 14d 2D 1.000 C(1S)2D 12 13 402120.231 1.378 -0.943 W(3P)4D 16 -0.265 W(3F)4D 18 -0.177 W(3P)4P 19 14 404489.614 1.585 0.970 W(3P)4P 19 -0.156 W(3P)4D 16 -0.119 W(3P)2D 28 15 410139.554 1.199 -0.912 W(3P)2D 28 0.260 W(3F)2D 30 0.213 W(3D)2D 29 16 413695.472 1.222 0.701 W(3F)4D 18 -0.560 W(3F)4F 15 0.247 W(3D)4D 17 17 414718.006 0.655 -0.939 W(3F)4G 13 0.282 W(3F)4D 18 -0.085 W(3P)4D 16 18 415374.366 0.947 0.794 W(3F)2F 24 0.415 W(3F)4F 15 0.311 W(3F)4D 18 19 416839.339 1.038 -0.675 W(3F)4F 15 0.532 W(3F)2F 24 -0.399 W(3F)4D 18 20 422542.097 1.183 0.680 W(3F)2D 30 -0.515 W(1D)2D 26 -0.400 W(1F)2D 27 J 2.5 21 430286.840 1.255 0.615 W(3D)4D 17 0.503 W(3D)2D 29 -0.359 W(3F)2D 30 22 431090.552 1.185 0.507 W(3D)4D 17 -0.420 W(3D)2D 29 0.381 W(1D)2D 26 23 432171.228 0.992 -0.663 W(1D)2F 21 0.476 W(1F)2F 22 -0.460 W(3D)4D 17 24 433771.824 1.013 0.903 W(3D)4F 14 0.315 W(1F)2F 22 -0.183 W(1D)2F 21 25 435882.254 0.878 0.623 W(1F)2F 22 0.562 W(3D)2F 23 0.470 W(1D)2F 21 26 436505.563 1.548 -0.930 W(3D)4P 20 0.251 W(1D)2D 26 -0.214 W(1F)2D 27 27 439170.999 1.230 0.649 W(1F)2D 27 -0.573 W(1D)2D 26 -0.311 W(3D)2D 29 28 440622.140 0.870 -0.784 W(3D)2F 23 0.424 W(1D)2F 21 0.396 W(1F)2F 22 29 453068.893 1.200 0.628 W(3D)2D 29 0.530 W(1F)2D 27 0.397 W(3F)2D 30 30 523825.069 1.202 -0.945 W(1P)2D 25 -0.292 X(1P)2D 33 -0.101 X(3P)2D 34 31 532726.268 1.384 -0.927 X(3P)4D 31 0.297 X(3P)4P 32 -0.149 X(1P)2D 33 32 537154.341 1.534 0.902 X(3P)4P 32 0.293 X(1P)2D 33 0.197 X(3P)2D 34 33 543153.666 1.256 -0.708 X(1P)2D 33 -0.498 X(3P)2D 34 0.312 X(3P)4D 31 34 561692.816 1.201 0.828 X(3P)2D 34 -0.552 X(1P)2D 33 0.081 W(1P)2D 25 34 VECTORS WRITTEN TO UNIT 3 22.03 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 278510.63 278510.499 -0.1 0.889 5g 2G 1.000 O(1S)2G 1 2 300045.9 300045.834 -0.1 0.889 6g 2G -1.000 P(1S)2G 2 3 313033.9 313033.800 -0.1 0.889 7g 2G -1.000 Q(1S)2G 3 4 321464.2 P 321463.971 -0.2 0.889 8g 2G 1.000 R(1S)2G 4 5 327242.4 R 327242.380 0.0 0.889 9g 2G 1.000 S(1S)2G 5 6 403551.472 1.428 -0.935 W(3P)4D 9 -0.341 W(3F)4D 11 0.056 W(3D)4F 7 7 412409.432 1.296 -0.597 W(3F)4D 11 0.564 W(3F)4F 8 0.435 W(3F)2F 17 8 413092.571 1.215 0.832 W(3F)2F 17 0.452 W(3F)4D 11 -0.174 W(3P)4D 9 9 413591.899 1.034 -0.914 W(3F)4G 6 0.302 W(3F)4D 11 -0.166 W(3F)2G 13 10 415399.031 1.248 -0.798 W(3F)4F 8 -0.408 W(3F)4D 11 0.277 W(3F)2F 17 11 420629.324 0.897 0.961 W(3F)2G 13 -0.185 W(3F)4G 6 0.156 W(1F)2G 12 12 430024.370 1.390 0.886 W(3D)4D 10 0.295 W(1F)2F 15 -0.246 W(3F)4D 11 13 432708.912 1.189 -0.659 W(3D)4F 7 -0.485 W(1D)2F 14 -0.308 W(3D)4D 10 14 433577.225 1.147 -0.588 W(1F)2F 15 0.504 W(1D)2F 14 -0.462 W(3D)4F 7 15 435379.879 1.020 -0.760 W(1F)2G 12 0.507 W(3D)4F 7 -0.352 W(3D)2F 16 16 436670.360 1.117 0.560 W(1D)2F 14 0.511 W(1F)2F 15 0.485 W(3D)2F 16 17 440367.981 1.119 0.719 W(3D)2F 16 -0.468 W(1F)2F 15 -0.385 W(1D)2F 14 18 531962.817 1.430 -1.000 X(3P)4D 18 18 VECTORS WRITTEN TO UNIT 3 22.03 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 278511.23 278511.397 0.2 1.111 5g 2G 1.000 O(1S)2G 1 2 300046.2 300046.281 0.1 1.111 6g 2G -1.000 P(1S)2G 2 3 313034.1 313034.247 0.1 1.111 7g 2G 1.000 Q(1S)2G 3 4 321464.2 P 321464.418 0.2 1.111 8g 2G 1.000 R(1S)2G 4 5 327242.4 R 327242.378 0.0 1.111 9g 2G -1.000 S(1S)2G 5 6 412375.264 1.216 0.825 W(3F)4G 6 -0.532 W(3F)4F 8 0.180 W(3F)2G 10 7 413442.760 1.288 0.835 W(3F)4F 8 0.516 W(3F)4G 6 -0.153 W(3D)4F 7 8 418553.883 1.115 -0.976 W(3F)2G 10 0.200 W(3F)4G 6 -0.080 W(3D)4F 7 9 432522.066 1.288 0.882 W(3D)4F 7 0.450 W(1F)2G 9 0.117 W(3F)4F 8 10 436675.681 1.156 -0.889 W(1F)2G 9 0.437 W(3D)4F 7 0.108 W(3F)4G 6 10 VECTORS WRITTEN TO UNIT 3 22.03 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 313130.66 313130.350 -0.3 0.923 7i 2I 1.000 T(1S)2I 1 2 321531.3 321531.300 0.0 0.923 8i 2I 1.000 U(1S)2I 2 3 327291.0 R 327291.000 0.0 0.923 9i 2I 1.000 V(1S)2I 3 4 411945.326 1.273 1.000 W(3F)4G 4 4 VECTORS WRITTEN TO UNIT 3 22.03 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 313130.66 313131.000 0.3 1.077 7i 2I 1.000 T(1S)2I 1 2 321531.3 321531.300 0.0 1.077 8i 2I 1.000 U(1S)2I 2 3 327291.0 R 327291.000 0.0 1.077 9i 2I 1.000 V(1S)2I 3 3 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 19-FEB-2013 13:13:45.30 Accounting information: Buffered I/O count: 153 Peak working set size: 9440 Direct I/O count: 211 Peak virtual size: 322592 Page faults: 2069 Mounted volumes: 0 Charged CPU time: 0 00:00:00.21 Elapsed time: 0 00:00:02.03