$ 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 2001 $SET VERIFY=NOIMAGE $ASSIGN B2001EZ.PUN FOR007 $ASSIGN H2001EZ.HAM FOR001 $ASSIGN EAV2001EZ.DAT FOR066 $ASSIGN C2001EZ.EIG FOR003 $ASSIGN POOLG:B2001E15 FOR015 $ASSIGN POOLG:B2001E16 FOR016 $RUN CRAY:LEAST3007 NPAR 222 NJ 7 FIRSTJ 0.5 1 p 6 d 0 s 1 p 0 s 0 d 0 g 0 i 0 2 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 3 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 4 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 5 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 6 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 7 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 8 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 9 p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 A p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 B p 6 d 0 s 0 p 0 s 1 d 0 g 0 i 0 C p 6 d 1 s 0 p 0 s 0 d 0 g 0 i 0 D p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 E p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 F p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 G p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 H p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 I p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 J p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 K p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 L p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 M p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 N p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 O p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 P p 6 d 0 s 0 p 0 s 0 d 1 g 0 i 0 Q p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 R p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 S p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 T p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 U p 6 d 0 s 0 p 0 s 0 d 0 g 1 i 0 V p 6 d 0 s 0 p 0 s 0 d 0 g 0 i 1 W p 6 d 0 s 0 p 0 s 0 d 0 g 0 i 1 X p 6 d 0 s 0 p 0 s 0 d 0 g 0 i 1 Y p 5 d 1 s 0 p 1 s 0 d 0 g 0 i 0 Z p 5 d 0 s 1 p 1 s 0 d 0 g 0 i 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2S)2S 1 TOTAL 1 28 39 36 18 10 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 138 39 1 0 28 67 103 121 131 135 138 138 138 138 138 138 138 138 138 138 138 138 138 138 138 138 0 1 Sugar, J, and Corliss, C. 1985. J.Phys.Chem.Ref.Data 14,Supp. 2. 2 7i-9i from polarization formula after 3 Edlen, B. and Risberg, P. 1956. Ark. Fys. 10, 553-566. 4 Risberg, P. 1968, Ark. Fys. 37, 231-249. 5 6 7 8 9 1 0 0 0 0.300 1.300 1 1.0 20 30 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 39 36 18 10 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20.01 3p6 4s 3p6 5s 3p6 6s 3p6 7s 3p6 8s 3p6 9s 3p6 10s 3p6 11s 3p6 12s 3p6 13s 3p6 14s 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 15d 3p6 16d 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 0.00 3p6(1S)4s 2S 4s 2S 0 0.5 52166.93 3p6(1S)5s 2S 5s 2S 0 0.5 70677.62 3p6(1S)6s 2S 6s 2S 0 0.5 79448.28 3p6(1S)7s 2S 7s 2S 0 0.5 84300.89 3p6(1S)8s 2S 8s 2S 0 0.5 87267.86 3p6(1S)9s 2S 9s 2S 0 0.5 89214.13 3p6(1S)10s 2S 10s 2S 0 0.5 90559.78 3p6(1S)11s 2S 11s 2S Ritz 0 0.5 91528.83 3p6(1S)12s 2S 12s 2S Ritz 0 0.5 92249.81 3p6(1S)13s 2S 13s 2S Ritz 0 0.5 92800.73 3p6(1S)14s 2S 14s 2S Ritz 0 -1.0 0 1.5 13650.19 3p6(1S)3d 2D 3d 2D 0 1.5 56839.25 3p6(1S)4d 2D 4d 2D 0 1.5 72722.23 3p6(1S)5d 2D 5d 2D 0 1.5 80521.53 3p6(1S)6d 2D 6d 2D 0 1.5 84933.65 3p6(1S)7d 2D 7d 2D 0 1.5 87671.93 3p6(1S)8d 2D 8d 2D 0 1.5 89487.93 3p6(1S)9d 2D 9d 2D 0 1.5 90753.92 3p6(1S)10d 2D 10d 2D 0 1.5 91671.44 3p6(1S)11d 2D 11d 2D Ritz 0 1.5 92357.66 3p6(1S)12d 2D 12d 2D Ritz 0 1.5 92884.25 3p6(1S)13d 2D 13d 2D Ritz 0 1.5 93297.16 3p6(1S)14d 2D 14d 2D Ritz 0 1.5 93626.89 3p6(1S)15d 2D 15d 2D Ritz 0 1.5 93894.39 3p6(1S)16d 2D 16d 2D Ritz 0 -1.0 0 2.5 13710.88 3p6(1S)3d 2D 3d 2D 0 2.5 56858.46 3p6(1S)4d 2D 4d 2D 0 2.5 72730.93 3p6(1S)5d 2D 5d 2D 0 2.5 80526.16 3p6(1S)6d 2D 6d 2D 0 2.5 84936.41 3p6(1S)7d 2D 7d 2D 0 2.5 87673.72 3p6(1S)8d 2D 8d 2D 0 2.5 89489.13 3p6(1S)9d 2D 9d 2D 0 2.5 90754.80 3p6(1S)10d 2D 10d 2D 0 2.5 91672.09 3p6(1S)11d 2D 11d 2D Ritz 0 2.5 92358.15 3p6(1S)12d 2D 12d 2D Ritz 0 2.5 92884.64 3p6(1S)13d 2D 13d 2D Ritz 0 2.5 93297.47 3p6(1S)14d 2D 14d 2D Ritz 0 2.5 93627.14 3p6(1S)15d 2D 15d 2D Ritz 0 2.5 93894.60 3p6(1S)16d 2D 16d 2D Ritz 0 -1.0 0 3.5 78164.72 3p6(1S)5g 2G 5g 2G 0 3.5 83540.00 3p6(1S)6g 2G 6g 2G 0 3.5 86781.14 3p6(1S)7g 2G 7g 2G 0 3.5 88884.54 3p6(1S)8g 2G 8g 2G 0 3.5 90326.45 3p6(1S)9g 2G 9g 2G 0 -1.0 0 4.5 78164.72 3p6(1S)5g 2G 5g 2G 0 4.5 83540.00 3p6(1S)6g 2G 6g 2G 0 4.5 86781.14 3p6(1S)7g 2G 7g 2G 0 4.5 88884.54 3p6(1S)8g 2G 8g 2G 0 4.5 90326.45 3p6(1S)9g 2G 9g 2G 0 -1.0 0 5.5 86792.48 3p6(1S)7i 2I 7i 2I polar 0 5.5 88892.45 3p6(1S)8i 2I 8i 2I polar 0 5.5 90332.18 3p6(1S)9i 2I 9i 2I polar 0 -1.0 0 6.5 86792.48 3p6(1S)7i 2I 7i 2I polar 0 6.5 88892.45 3p6(1S)8i 2I 8i 2I polar 0 6.5 90332.18 3p6(1S)9i 2I 9i 2I polar 222 31.9 35 LEAST SQUARES 1 1 EAV 0.0 0.0 2326.1 STARTHF 1.000 0 0.0 0 3p6 4s 2 2 EAV 52686.1 0.0 52686.1 1.000 0 0.0 0 3p6 5s 3 3 EAV 71099.4 0.0 71099.4 1.000 0 0.0 0 3p6 6s 4 4 EAV 79823.3 0.0 79823.3 1.000 0 0.0 0 3p6 7s 5 5 EAV 84652.1 0.0 84652.1 1.000 0 0.0 0 3p6 8s 6 6 EAV 87606.9 0.0 87606.9 1.000 0 0.0 0 3p6 9s 7 7 EAV 89546.0 0.0 89546.0 1.000 0 0.0 0 3p6 10s 8 8 EAV 90887.2 0.0 90887.2 1.000 0 0.0 0 3p6 11s 9 9 EAV 91852.3 0.0 91852.3 1.000 0 0.0 0 3p6 12s 10 A EAV 92571.9 0.0 92571.9 1.000 0 0.0 0 3p6 13s 11 B EAV 93121.9 0.0 93121.9 1.000 0 0.0 0 3p6 14s 12 C EAV 15424.0 0.0 15424.0 1.000 0 0.0 0 3p6 3d 13 C ZETA 2 33.3 0.0 33.3 1.000 0 0.0 0 3p6 3d 14 D EAV 58016.8 0.0 58016.8 1.000 0 0.0 0 3p6 4d 15 D ZETA 6 6.8 0.0 6.8 1.000 0 0.0 0 3p6 4d 16 E EAV 73429.6 0.0 73429.6 1.000 0 0.0 0 3p6 5d 17 E ZETA 6 2.9 0.0 2.9 1.000 0 0.0 0 3p6 5d 18 F EAV 81050.0 0.0 81050.0 1.000 0 0.0 0 3p6 6d 19 F ZETA 6 1.5 0.0 1.5 1.000 0 0.0 0 3p6 6d 20 G EAV 85377.6 0.0 85377.6 1.000 0 0.0 0 3p6 7d 21 G ZETA 6 0.9 0.0 0.9 1.000 0 0.0 0 3p6 7d 22 H EAV 88071.4 0.0 88071.4 1.000 0 0.0 0 3p6 8d 23 H ZETA 6 0.6 0.0 0.6 1.000 0 0.0 0 3p6 8d 24 I EAV 89861.3 0.0 89861.3 1.000 0 0.0 0 3p6 9d 25 I ZETA 6 0.4 0.0 0.4 1.000 0 0.0 0 3p6 9d 26 J EAV 91111.3 0.0 91111.3 1.000 0 0.0 0 3p6 10d 27 J ZETA 6 0.3 0.0 0.3 1.000 0 0.0 0 3p6 10d 28 K EAV 92017.1 0.0 92017.1 1.000 0 0.0 0 3p6 11d 29 K ZETA 6 0.2 0.0 0.2 1.000 0 0.0 0 3p6 11d 30 L EAV 92696.3 0.0 92696.3 1.000 0 0.0 0 3p6 12d 31 L ZETA 6 0.2 0.0 0.2 1.000 0 0.0 0 3p6 12d 32 M EAV 93218.4 0.0 93218.4 1.000 0 0.0 0 3p6 13d 33 M ZETA 6 0.1 0.0 0.1 1.000 0 0.0 0 3p6 13d 34 N EAV 93627.8 0.0 93627.8 1.000 0 0.0 0 3p6 14d 35 N ZETA 6 0.1 0.0 0.1 1.000 0 0.0 0 3p6 14d 36 O EAV 93954.8 0.0 93954.8 1.000 0 0.0 0 3p6 15d 37 O ZETA 6 0.1 0.0 0.1 1.000 0 0.0 0 3p6 15d 38 P EAV 94220.0 0.0 94220.0 1.000 0 0.0 0 3p6 16d 39 P ZETA 6 0.1 0.0 0.1 1.000 0 0.0 0 3p6 16d 40 Q EAV 78489.6 0.0 78489.6 1.000 0 0.0 0 3p6 5g 41 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 3p6 5g 42 R EAV 83857.1 0.0 83857.1 1.000 0 0.0 0 3p6 6g 43 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 3p6 6g 44 S EAV 87096.2 0.0 87096.2 1.000 0 0.0 0 3p6 7g 45 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 3p6 7g 46 T EAV 89199.1 0.0 89199.1 1.000 0 0.0 0 3p6 8g 47 T ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 3p6 8g 48 U EAV 90641.0 0.0 90641.0 1.000 0 0.0 0 3p6 9g 49 U ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 3p6 9g 50 V EAV 87109.5 0.0 87109.5 1.000 0 0.0 0 3p6 7i 51 V ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 3p6 7i 52 W EAV 89209.2 0.0 89209.2 1.000 0 0.0 0 3p6 8i 53 W ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 3p6 8i 54 X EAV 90648.5 0.0 90648.5 1.000 0 0.0 0 3p6 9i 55 X ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 3p6 9i 56 Y EAV 245878.1 0.0 245878.1 FIXEDHF 1.000 0 -3000.0 0 3p5 3d4p 57 Y ZETA 1 2030.0 0.0 2030.0 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 58 Y ZETA 2 61.0 0.0 61.0 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 59 Y ZETA 4 177.7 0.0 177.7 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 60 Y F2(12) 51090.2 0.0 63862.8 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 61 Y F2(14) 8890.3 0.0 11112.9 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 62 Y F2(24) 11652.9 0.0 14566.2 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 63 Y G1(12) 63834.8 0.0 79793.5 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 64 Y G3(12) 38265.8 0.0 47832.2 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 65 Y G0(14) 3030.9 0.0 3788.6 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 66 Y G2(14) 2926.6 0.0 3658.3 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 67 Y G1(24) 5141.9 0.0 6427.4 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 68 Y G3(24) 4332.5 0.0 5415.7 FIXEDHF 0.800 0 0.0 0 3p5 3d4p 69 Z EAV 255036.2 0.0 255036.2 FIXEDHF 1.000 0 -3000.0 0 3p5 4s4p 70 Z ZETA 1 2135.3 0.0 2135.3 FIXEDHF 1.000 0 0.0 0 3p5 4s4p 71 Z ZETA 4 231.6 0.0 231.6 FIXEDHF 1.000 0 0.0 0 3p5 4s4p 72 Z F2(14) 10800.3 0.0 13500.4 FIXEDHF 0.800 0 0.0 0 3p5 4s4p 73 Z G1(13) 4682.2 0.0 5852.7 FIXEDHF 0.800 0 0.0 0 3p5 4s4p 74 Z G0(14) 3544.0 0.0 4430.0 FIXEDHF 0.800 0 0.0 0 3p5 4s4p 75 Z G2(14) 3555.5 0.0 4444.3 FIXEDHF 0.800 0 0.0 0 3p5 4s4p 76 Z G1(34) 27917.5 0.0 34896.9 FIXEDHF 0.800 0 0.0 0 3p5 4s4p 77 1Y 1D1324 19441.8 0.0 24302.2 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 3d4p 78 1Y 2E1324 3378.2 0.0 4222.7 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 3d4p 79 1Z 0D1114 2137.3 0.0 2671.6 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 80 1Z 2D1114 9696.7 0.0 12120.8 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 81 1Z 1D1334 -5339.2 0.0 -6674.0 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 82 1Z 0E1334 -791.7 0.0 -989.7 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 83 2Y 1D1524 4247.8 0.0 5309.7 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 84 2Y 2E1524 1524.4 0.0 1905.5 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 85 2Z 1D1534 -630.9 0.0 -788.7 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 86 2Z 0E1534 1047.5 0.0 1309.3 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 87 3Y 1D1524 2371.8 0.0 2964.8 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 88 3Y 2E1524 937.2 0.0 1171.5 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 89 3Z 1D1534 -217.2 0.0 -271.4 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 90 3Z 0E1534 667.6 0.0 834.5 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 91 4Y 1D1524 1593.0 0.0 1991.3 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 92 4Y 2E1524 656.1 0.0 820.1 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 93 4Z 1D1534 -102.7 0.0 -128.4 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 94 4Z 0E1534 474.9 0.0 593.6 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 95 5Y 1D1524 1173.0 0.0 1466.2 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 96 5Y 2E1524 494.0 0.0 617.5 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 97 5Z 1D1534 -57.7 0.0 -72.2 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 98 5Z 0E1534 360.7 0.0 450.8 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 99 6Y 1D1524 913.2 0.0 1141.5 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 100 6Y 2E1524 390.0 0.0 487.5 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 101 6Z 1D1534 -36.2 0.0 -45.3 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 102 6Z 0E1534 286.2 0.0 357.7 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 103 7Y 1D1524 738.3 0.0 922.9 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 104 7Y 2E1524 318.2 0.0 397.8 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 105 7Z 1D1534 -24.5 0.0 -30.6 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 106 7Z 0E1534 234.3 0.0 292.9 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 107 8Y 1D1524 613.6 0.0 767.0 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 108 8Y 2E1524 266.2 0.0 332.8 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 109 8Z 1D1534 -17.5 0.0 -21.9 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 110 8Z 0E1534 196.5 0.0 245.6 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 111 9Y 1D1524 520.8 0.0 651.0 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 112 9Y 2E1524 227.1 0.0 283.9 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 113 9Z 1D1534 -13.1 0.0 -16.4 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 114 9Z 0E1534 167.9 0.0 209.9 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 115 AY 1D1524 449.4 0.0 561.8 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 116 AY 2E1524 196.7 0.0 245.9 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 117 AZ 1D1534 -10.1 0.0 -12.6 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 118 AZ 0E1534 145.6 0.0 182.0 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 119 BY 1D1524 393.1 0.0 491.3 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 120 BY 2E1524 172.6 0.0 215.8 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 121 BZ 1D1534 -8.0 0.0 -10.0 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 122 BZ 0E1534 127.9 0.0 159.9 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 123 CY 0D1114 2024.5 0.0 2530.6 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 124 CY 2D1114 9295.2 0.0 11619.0 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 125 CY 1D1224 -4380.0 0.0 -5475.0 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 126 CY 3D1224 659.6 0.0 824.5 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 127 CY 0E1224 -62.5 0.0 -78.2 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 128 CY 2E1224 3732.9 0.0 4666.2 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 129 CZ 1D1234 6443.5 0.0 8054.4 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 130 CZ 2E1234 5019.9 0.0 6274.9 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 131 DY 1D1624 7055.5 0.0 8819.3 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 132 DY 3D1624 2291.3 0.0 2864.1 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 133 DY 0E1624 3810.6 0.0 4763.2 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 134 DY 2E1624 2309.0 0.0 2886.3 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 135 DZ 1D1634 -569.9 0.0 -712.4 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 136 DZ 2E1634 487.9 0.0 609.9 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 137 EY 1D1624 4984.0 0.0 6230.0 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 138 EY 3D1624 1750.3 0.0 2187.9 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 139 EY 0E1624 2360.5 0.0 2950.6 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 140 EY 2E1624 1577.1 0.0 1971.3 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 141 EZ 1D1634 -585.1 0.0 -731.3 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 142 EZ 2E1634 99.3 0.0 124.2 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 143 FY 1D1624 3682.9 0.0 4603.6 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 144 FY 3D1624 1341.4 0.0 1676.7 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 145 FY 0E1624 1670.9 0.0 2088.6 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 146 FY 2E1624 1164.4 0.0 1455.4 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 147 FZ 1D1634 -467.7 0.0 -584.6 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 148 FZ 2E1634 13.5 0.0 16.9 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 149 GY 1D1624 2855.7 0.0 3569.6 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 150 GY 3D1624 1061.2 0.0 1326.4 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 151 GY 0E1624 1270.0 0.0 1587.6 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 152 GY 2E1624 905.1 0.0 1131.3 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 153 GZ 1D1634 -373.7 0.0 -467.1 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 154 GZ 2E1634 -11.5 0.0 -14.4 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 155 HY 1D1624 2296.4 0.0 2870.5 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 156 HY 3D1624 864.0 0.0 1080.0 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 157 HY 0E1624 1010.2 0.0 1262.8 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 158 HY 2E1624 729.7 0.0 912.1 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 159 HZ 1D1634 -304.9 0.0 -381.2 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 160 HZ 2E1634 -19.2 0.0 -24.0 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 161 IY 1D1624 1898.4 0.0 2373.1 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 162 IY 3D1624 720.2 0.0 900.2 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 163 IY 0E1624 829.6 0.0 1037.1 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 164 IY 2E1624 604.5 0.0 755.7 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 165 IZ 1D1634 -254.1 0.0 -317.7 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 166 IZ 2E1634 -21.0 0.0 -26.3 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 167 JY 1D1624 1603.5 0.0 2004.4 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 168 JY 3D1624 611.8 0.0 764.8 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 169 JY 0E1624 697.8 0.0 872.2 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 170 JY 2E1624 511.5 0.0 639.4 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 171 JZ 1D1634 -215.7 0.0 -269.7 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 172 JZ 2E1634 -20.6 0.0 -25.8 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 173 KY 1D1624 1377.9 0.0 1722.4 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 174 KY 3D1624 528.0 0.0 660.0 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 175 KY 0E1624 597.8 0.0 747.3 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 176 KY 2E1624 440.2 0.0 550.2 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 177 KZ 1D1634 -186.0 0.0 -232.4 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 178 KZ 2E1634 -19.5 0.0 -24.4 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 179 LY 1D1624 1200.7 0.0 1500.9 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 180 LY 3D1624 461.6 0.0 577.0 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 181 LY 0E1624 519.9 0.0 649.8 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 182 LY 2E1624 384.0 0.0 480.0 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 183 LZ 1D1634 -162.4 0.0 -203.0 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 184 LZ 2E1634 -18.1 0.0 -22.6 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 185 MY 1D1624 1058.5 0.0 1323.1 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 186 MY 3D1624 408.0 0.0 510.0 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 187 MY 0E1624 457.6 0.0 572.0 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 188 MY 2E1624 338.9 0.0 423.6 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 189 MZ 1D1634 -143.4 0.0 -179.2 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 190 MZ 2E1634 -16.7 0.0 -20.9 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 191 NY 1D1624 942.4 0.0 1177.9 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 192 NY 3D1624 364.0 0.0 454.9 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 193 NY 0E1624 407.0 0.0 508.7 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 194 NY 2E1624 302.0 0.0 377.4 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 195 NZ 1D1634 -127.8 0.0 -159.7 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 196 NZ 2E1634 -15.4 0.0 -19.2 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 197 OY 1D1624 846.0 0.0 1057.5 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 3d4p 198 OY 3D1624 327.3 0.0 409.1 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 3d4p 199 OY 0E1624 365.1 0.0 456.3 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 3d4p 200 OY 2E1624 271.3 0.0 339.1 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 3d4p 201 OZ 1D1634 -114.8 0.0 -143.5 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 4s4p 202 OZ 2E1634 -14.1 0.0 -17.7 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 4s4p 203 PY 1D1624 765.1 0.0 956.3 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 3d4p 204 PY 3D1624 296.4 0.0 370.5 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 3d4p 205 PY 0E1624 329.9 0.0 412.4 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 3d4p 206 PY 2E1624 245.5 0.0 306.9 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 3d4p 207 PZ 1D1634 -103.8 0.0 -129.8 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 4s4p 208 PZ 2E1634 -13.0 0.0 -16.3 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 4s4p 209 QY 3D1724 -186.6 0.0 -233.2 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 210 QY 2E1724 -38.6 0.0 -48.2 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 211 RY 3D1724 -184.7 0.0 -230.9 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 212 RY 2E1724 -39.0 0.0 -48.8 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 213 SY 3D1724 -165.2 0.0 -206.5 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 214 SY 2E1724 -35.4 0.0 -44.2 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 215 TY 3D1724 -144.7 0.0 -180.9 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 216 TY 2E1724 -31.2 0.0 -39.0 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 217 UY 3D1724 -126.6 0.0 -158.3 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 218 UY 2E1724 -27.5 0.0 -34.3 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 219 YZ 2D1213 -284.8 0.0 -356.0 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 220 YZ 1E1213 3810.1 0.0 4762.6 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 221 YZ 2D2434 -9982.8 0.0 -12478.5 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 222 YZ 1E2434 -9654.5 0.0 -12068.1 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 20.01 J 0.5 1 3p6 4s 2 3p6 5s 3 3p6 6s 4 3p6 7s 5 3p6 8s 6 3p6 9s 7 3p6 10s 8 3p6 11s 9 3p6 12s A 3p6 13s B 3p6 14s C 3p6 3d D 3p6 4d E 3p6 5d F 3p6 6d G 3p6 7d H 3p6 8d I 3p6 9d J 3p6 10d K 3p6 11d L 3p6 12d M 3p6 13d N 3p6 14d O 3p6 15d P 3p6 16d Q 3p6 5g R 3p6 6g S 3p6 7g T 3p6 8g U 3p6 9g V 3p6 7i W 3p6 8i X 3p6 9i Y 3p5 3d4p Z 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.00 -322.123 -322.1 2.002 4s 2S 0.995 1(2S)2S 1 0.069 Y(1P)2S 21 0.048 Z(3P)2S 28 2 52166.93 52573.831 406.9 2.002 5s 2S -1.000 2(1S)2S 2 3 70677.62 71059.187 381.6 2.002 6s 2S 1.000 3(1S)2S 3 4 79448.28 79803.855 355.6 2.002 7s 2S -1.000 4(1S)2S 4 5 84300.89 84641.133 340.2 2.002 8s 2S -1.000 5(1S)2S 5 6 87267.86 87600.087 332.2 2.002 9s 2S 1.000 6(1S)2S 6 7 89214.13 89541.474 327.3 2.002 10s 2S 1.000 7(1S)2S 7 8 90559.78 90884.039 324.3 2.002 11s 2S 1.000 8(1S)2S 8 9 91528.83 91850.005 321.2 2.002 12s 2S 1.000 9(1S)2S 9 10 92249.81 92570.183 320.4 2.002 13s 2S -1.000 A(1S)2S 10 11 92800.73 93120.583 319.9 2.002 14s 2S 1.000 B(1S)2S 11 12 223681.793 0.042 -0.963 Y(3P)4D 12 -0.179 Y(3P)2P 19 -0.167 Y(3F)4D 14 13 225068.759 2.608 0.981 Y(3P)4P 15 -0.145 Y(3P)2P 19 0.095 Y(3P)2S 22 14 225478.870 0.695 0.957 Y(3P)2P 19 -0.182 Y(3P)4D 12 0.141 Y(3P)2S 22 15 229142.013 1.984 0.962 Y(3P)2S 22 0.160 Z(1P)2S 27 -0.127 Y(3P)2P 19 16 234162.493 0.006 -0.942 Y(3F)4D 14 -0.240 Y(3D)4D 13 0.187 Y(3P)4D 12 17 244987.921 0.043 0.807 Y(3D)4D 13 -0.540 Z(3P)4D 23 -0.142 Y(3F)4D 14 18 246705.682 1.076 -0.478 Z(3P)4P 24 0.441 Z(3P)4D 23 0.415 Y(3D)4D 13 19 247551.306 1.698 0.571 Y(3D)4P 16 0.541 Z(3P)4P 24 0.497 Z(3P)4D 23 20 247908.267 0.588 0.727 Y(1D)2P 18 0.431 Z(3P)4D 23 0.288 Z(1P)2P 25 J 0.5 21 249062.418 0.669 -0.904 Y(3D)2P 20 0.274 Z(3P)2P 26 0.264 Y(1D)2P 18 22 250220.853 2.407 0.712 Y(3D)4P 16 -0.600 Z(3P)4P 24 -0.202 Z(1P)2P 25 23 251109.593 0.836 -0.659 Z(1P)2P 25 0.507 Y(1D)2P 18 -0.386 Z(3P)2P 26 24 255845.730 2.013 -0.960 Z(1P)2S 27 -0.178 Z(3P)4P 24 0.166 Y(3P)2S 22 25 270041.276 0.913 0.713 Z(3P)2P 26 -0.456 Z(1P)2P 25 -0.419 Z(3P)2S 28 26 273018.487 1.760 0.894 Z(3P)2S 28 0.334 Z(3P)2P 26 -0.228 Z(1P)2P 25 27 311456.428 0.667 0.994 Y(1P)2P 17 -0.081 Z(1P)2P 25 0.058 Z(3P)2P 26 28 315221.670 2.001 0.994 Y(1P)2S 21 -0.072 Z(3P)2S 28 -0.063 1(2S)2S 1 28 VECTORS WRITTEN TO UNIT 3 20.01 J 1.5 1 3p6 4s 2 3p6 5s 3 3p6 6s 4 3p6 7s 5 3p6 8s 6 3p6 9s 7 3p6 10s 8 3p6 11s 9 3p6 12s A 3p6 13s B 3p6 14s C 3p6 3d D 3p6 4d E 3p6 5d F 3p6 6d G 3p6 7d H 3p6 8d I 3p6 9d J 3p6 10d K 3p6 11d L 3p6 12d M 3p6 13d N 3p6 14d O 3p6 15d P 3p6 16d Q 3p6 5g R 3p6 6g S 3p6 7g T 3p6 8g U 3p6 9g V 3p6 7i W 3p6 8i X 3p6 9i Y 3p5 3d4p Z 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 13650.19 14212.822 562.6 0.800 3d 2D 0.998 C(2D)2D 1 0.041 Y(3F)2D 28 2 56839.25 57566.837 727.6 0.800 4d 2D -0.999 D(1S)2D 2 3 72722.23 73239.685 517.5 0.800 5d 2D 0.999 E(1S)2D 3 4 80521.53 80950.547 429.0 0.800 6d 2D -0.999 F(1S)2D 4 5 84933.65 85318.789 385.1 0.800 7d 2D -0.999 G(1S)2D 5 6 87671.93 88033.698 361.8 0.800 8d 2D -0.999 H(1S)2D 6 7 89487.93 89835.718 347.8 0.800 9d 2D 1.000 I(1S)2D 7 8 90753.92 91093.129 339.2 0.800 10d 2D 1.000 J(1S)2D 8 9 91671.44 92003.786 332.3 0.800 11d 2D -1.000 K(1S)2D 9 10 92357.66 92686.173 328.5 0.800 12d 2D 1.000 L(1S)2D 10 11 92884.25 93210.657 326.4 0.800 13d 2D 1.000 M(1S)2D 11 12 93297.16 93621.674 324.5 0.800 14d 2D -1.000 N(1S)2D 12 13 93626.89 93949.879 323.0 0.800 15d 2D -1.000 O(1S)2D 13 14 93894.39 94216.015 321.6 0.800 16d 2D -1.000 P(1S)2D 14 15 223982.975 1.216 0.963 Y(3P)4D 17 0.177 Y(3F)4D 19 0.166 Y(3P)4P 20 16 225231.585 1.701 0.873 Y(3P)4P 20 -0.336 Y(3P)2P 31 0.312 Y(3P)4S 22 17 226018.018 1.383 0.884 Y(3P)2P 31 0.380 Y(3P)4P 20 0.152 Y(3P)2D 26 18 226998.443 1.944 0.931 Y(3P)4S 22 -0.242 Y(3P)4P 20 0.219 Y(3P)2P 31 19 229072.223 0.821 -0.941 Y(3P)2D 26 0.219 Y(3F)2D 28 0.192 Y(3P)2P 31 20 233574.108 1.022 -0.826 Y(3F)4D 19 0.470 Y(3F)4F 16 -0.214 Y(3D)4D 18 J 1.5 21 234488.772 0.586 -0.871 Y(3F)4F 16 -0.456 Y(3F)4D 19 0.091 Y(3P)4D 17 22 239117.651 0.804 -0.779 Y(3F)2D 28 0.473 Y(1D)2D 24 0.285 Y(1F)2D 25 23 241382.187 1.989 -0.973 Z(3P)4S 35 0.171 Z(3P)4P 34 0.125 Y(3P)4S 22 24 244415.234 1.036 0.588 Y(3D)4D 18 -0.472 Z(3P)4D 33 0.408 Y(3D)2D 27 25 244802.886 0.956 0.527 Y(3D)2D 27 -0.428 Y(1D)2D 24 -0.410 Y(3D)4D 18 26 246166.116 0.801 -0.762 Y(3D)4F 15 0.358 Z(3P)4D 33 -0.299 Z(3P)4P 34 27 246387.533 0.992 -0.628 Y(3D)4F 15 -0.427 Y(3D)4D 18 0.374 Z(3P)4P 34 28 246690.139 1.099 0.467 Z(1P)2D 36 0.397 Z(3P)2D 37 0.360 Y(3D)4D 18 29 247620.733 1.196 -0.502 Y(1D)2P 30 -0.426 Z(3P)4D 33 0.375 Y(3D)2P 32 30 248041.577 1.429 0.587 Y(1D)2P 30 -0.474 Y(3D)4P 21 -0.374 Z(3P)4P 34 31 248607.342 1.283 -0.822 Y(3D)2P 32 -0.287 Y(1D)2P 30 -0.279 Z(1P)2P 38 32 249667.121 1.365 -0.570 Y(3D)4P 21 0.438 Z(3P)4P 34 -0.359 Y(1F)2D 25 33 250659.831 1.135 0.483 Z(1P)2D 36 -0.404 Z(3P)4P 34 0.378 Y(3D)4P 21 34 251800.277 1.384 -0.665 Z(1P)2P 38 0.431 Y(1D)2P 30 -0.425 Z(3P)2P 39 35 256941.753 0.801 0.648 Y(3D)2D 27 0.540 Y(1F)2D 25 0.357 Y(3F)2D 28 36 267903.531 1.074 -0.568 Z(3P)2D 37 0.558 Z(3P)2P 39 -0.373 Z(1P)2P 38 37 270225.308 1.060 0.584 Z(3P)2D 37 0.545 Z(3P)2P 39 -0.364 Z(1P)2P 38 38 311544.481 1.330 0.991 Y(1P)2P 29 -0.088 Y(1P)2D 23 -0.078 Z(1P)2P 38 39 312614.713 0.804 0.992 Y(1P)2D 23 0.088 Y(1P)2P 29 -0.062 Z(1P)2D 36 39 VECTORS WRITTEN TO UNIT 3 20.01 J 2.5 1 3p6 4s 2 3p6 5s 3 3p6 6s 4 3p6 7s 5 3p6 8s 6 3p6 9s 7 3p6 10s 8 3p6 11s 9 3p6 12s A 3p6 13s B 3p6 14s C 3p6 3d D 3p6 4d E 3p6 5d F 3p6 6d G 3p6 7d H 3p6 8d I 3p6 9d J 3p6 10d K 3p6 11d L 3p6 12d M 3p6 13d N 3p6 14d O 3p6 15d P 3p6 16d Q 3p6 5g R 3p6 6g S 3p6 7g T 3p6 8g U 3p6 9g V 3p6 7i W 3p6 8i X 3p6 9i Y 3p5 3d4p Z 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 13710.88 14295.562 584.7 1.200 3d 2D 0.998 C(2D)2D 1 0.041 Y(3F)2D 32 2 56858.46 57585.132 726.7 1.200 4d 2D -0.999 D(1S)2D 2 -0.030 Y(3F)2D 32 3 72730.93 73247.549 516.6 1.200 5d 2D 0.999 E(1S)2D 3 4 80526.16 80954.632 428.5 1.200 6d 2D 0.999 F(1S)2D 4 5 84936.41 85321.241 384.8 1.200 7d 2D -0.999 G(1S)2D 5 6 87673.72 88035.328 361.6 1.200 8d 2D 0.999 H(1S)2D 6 7 89489.13 89836.807 347.7 1.200 9d 2D -1.000 I(1S)2D 7 8 90754.80 91093.943 339.1 1.200 10d 2D -1.000 J(1S)2D 8 9 91672.09 92004.332 332.2 1.200 11d 2D -1.000 K(1S)2D 9 10 92358.15 92686.708 328.6 1.200 12d 2D -1.000 L(1S)2D 10 11 92884.64 93210.934 326.3 1.200 13d 2D 1.000 M(1S)2D 11 12 93297.47 93621.945 324.5 1.200 14d 2D -1.000 N(1S)2D 12 13 93627.14 93950.146 323.0 1.200 15d 2D -1.000 O(1S)2D 13 14 93894.60 94216.278 321.7 1.200 16d 2D -1.000 P(1S)2D 14 15 224470.038 1.380 -0.956 Y(3P)4D 18 -0.200 Y(3P)4P 21 -0.196 Y(3F)4D 20 16 225958.747 1.587 0.972 Y(3P)4P 21 -0.191 Y(3P)4D 18 -0.081 Y(3P)2D 30 17 229415.976 1.200 -0.933 Y(3P)2D 30 0.260 Y(3F)2D 32 0.184 Y(3D)2D 31 18 232792.595 1.057 -0.609 Y(3F)4D 20 0.537 Y(3F)4F 17 -0.488 Y(3F)4G 15 19 233058.647 0.842 -0.800 Y(3F)4G 15 0.536 Y(3F)4D 20 0.141 Y(3F)2F 26 20 233435.486 0.898 0.822 Y(3F)2F 26 0.323 Y(3F)4F 17 0.320 Y(3F)4G 15 J 2.5 21 234296.138 1.046 0.757 Y(3F)4F 17 -0.468 Y(3F)2F 26 0.392 Y(3F)4D 20 22 237936.296 1.195 -0.810 Y(3F)2D 32 0.333 Y(1F)2D 29 0.333 Y(1D)2D 28 23 243919.528 1.249 -0.537 Y(3D)2D 31 0.448 Y(1D)2D 28 -0.423 Y(3D)4D 19 24 244109.237 1.308 0.555 Z(3P)4D 33 -0.530 Y(3D)4D 19 -0.427 Y(1D)2D 28 25 245485.075 1.019 -0.588 Y(1D)2F 23 -0.458 Y(3D)4F 16 0.439 Y(1F)2F 24 26 245862.066 1.351 0.537 Z(3P)4P 34 -0.440 Y(3D)4D 19 -0.374 Y(1D)2F 23 27 246330.498 1.296 0.418 Z(3P)4P 34 -0.401 Y(3D)4F 16 0.378 Y(3D)4D 19 28 246462.174 1.100 -0.764 Y(3D)4F 16 -0.319 Y(1F)2F 24 -0.296 Y(3D)4D 19 29 247496.686 0.895 0.679 Y(1F)2F 24 0.518 Y(3D)2F 25 0.413 Y(1D)2F 23 30 248242.470 1.262 -0.491 Y(1F)2D 29 0.380 Y(1D)2D 28 -0.372 Z(1P)2D 35 31 249202.706 1.537 -0.737 Y(3D)4P 22 0.545 Z(3P)4P 34 -0.232 Y(1F)2D 29 32 251022.256 0.880 -0.798 Y(3D)2F 25 0.423 Y(1D)2F 23 0.334 Y(1F)2F 24 33 251365.119 1.248 0.593 Z(1P)2D 35 -0.373 Y(1F)2D 29 0.323 Y(1D)2D 28 34 257411.947 1.200 0.624 Y(3D)2D 31 0.536 Y(1F)2D 29 0.380 Y(3F)2D 32 35 266465.262 1.200 0.807 Z(3P)2D 36 -0.494 Z(1P)2D 35 -0.196 Y(1F)2D 29 36 312796.368 1.200 0.996 Y(1P)2D 27 -0.062 Z(1P)2D 35 0.037 Y(3F)2D 32 36 VECTORS WRITTEN TO UNIT 3 20.01 J 3.5 1 3p6 4s 2 3p6 5s 3 3p6 6s 4 3p6 7s 5 3p6 8s 6 3p6 9s 7 3p6 10s 8 3p6 11s 9 3p6 12s A 3p6 13s B 3p6 14s C 3p6 3d D 3p6 4d E 3p6 5d F 3p6 6d G 3p6 7d H 3p6 8d I 3p6 9d J 3p6 10d K 3p6 11d L 3p6 12d M 3p6 13d N 3p6 14d O 3p6 15d P 3p6 16d Q 3p6 5g R 3p6 6g S 3p6 7g T 3p6 8g U 3p6 9g V 3p6 7i W 3p6 8i X 3p6 9i Y 3p5 3d4p Z 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 78164.72 78489.589 324.9 0.889 5g 2G 1.000 Q(1S)2G 1 2 83540.00 83857.088 317.1 0.889 6g 2G -1.000 R(1S)2G 2 3 86781.14 87096.191 315.1 0.889 7g 2G -1.000 S(1S)2G 3 4 88884.54 89199.093 314.6 0.889 8g 2G 1.000 T(1S)2G 4 5 90326.45 90640.994 314.5 0.889 9g 2G 1.000 U(1S)2G 5 6 225211.430 1.429 0.967 Y(3P)4D 9 0.240 Y(3F)4D 11 -0.045 Y(3D)4F 7 7 231890.285 1.169 -0.817 Y(3F)2F 17 -0.442 Y(3F)4F 8 0.246 Y(3F)4G 6 8 232165.342 1.334 0.766 Y(3F)4D 11 0.451 Y(3F)2F 17 -0.283 Y(3F)4F 8 9 232435.381 1.039 -0.910 Y(3F)4G 6 0.320 Y(3F)4D 11 -0.170 Y(3F)2F 17 10 233520.946 1.252 0.841 Y(3F)4F 8 0.392 Y(3F)4D 11 -0.268 Y(3F)2F 17 11 236781.009 0.894 -0.969 Y(3F)2G 13 -0.167 Y(1F)2G 12 0.153 Y(3F)4G 6 12 243627.020 1.419 0.698 Z(3P)4D 18 -0.685 Y(3D)4D 10 -0.172 Y(1F)2F 15 13 245340.580 1.345 -0.630 Z(3P)4D 18 -0.479 Y(3D)4D 10 0.401 Y(3D)4F 7 14 245860.928 1.256 -0.678 Y(3D)4F 7 -0.422 Y(3D)4D 10 -0.380 Y(1D)2F 14 15 246507.255 1.168 -0.605 Y(1D)2F 14 0.570 Y(1F)2F 15 0.465 Y(3D)4F 7 16 247432.184 1.079 0.578 Y(1F)2G 12 0.537 Y(3D)2F 16 -0.367 Y(3D)4F 7 17 248048.559 1.022 -0.699 Y(1F)2G 12 0.499 Y(1F)2F 15 0.398 Y(1D)2F 14 18 250826.141 1.125 0.764 Y(3D)2F 16 -0.418 Y(1F)2F 15 -0.394 Y(1D)2F 14 18 VECTORS WRITTEN TO UNIT 3 20.01 J 4.5 1 3p6 4s 2 3p6 5s 3 3p6 6s 4 3p6 7s 5 3p6 8s 6 3p6 9s 7 3p6 10s 8 3p6 11s 9 3p6 12s A 3p6 13s B 3p6 14s C 3p6 3d D 3p6 4d E 3p6 5d F 3p6 6d G 3p6 7d H 3p6 8d I 3p6 9d J 3p6 10d K 3p6 11d L 3p6 12d M 3p6 13d N 3p6 14d O 3p6 15d P 3p6 16d Q 3p6 5g R 3p6 6g S 3p6 7g T 3p6 8g U 3p6 9g V 3p6 7i W 3p6 8i X 3p6 9i Y 3p5 3d4p Z 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 78164.72 78489.589 324.9 1.111 5g 2G 1.000 Q(1S)2G 1 2 83540.00 83857.088 317.1 1.111 6g 2G -1.000 R(1S)2G 2 3 86781.14 87096.191 315.1 1.111 7g 2G 1.000 S(1S)2G 3 4 88884.54 89199.093 314.6 1.111 8g 2G 1.000 T(1S)2G 4 5 90326.45 90640.994 314.5 1.111 9g 2G -1.000 U(1S)2G 5 6 231713.444 1.191 0.920 Y(3F)4G 6 -0.359 Y(3F)4F 8 0.147 Y(3F)2G 10 7 232409.743 1.313 -0.928 Y(3F)4F 8 -0.346 Y(3F)4G 6 0.108 Y(3D)4F 7 8 235693.106 1.114 -0.983 Y(3F)2G 10 0.165 Y(3F)4G 6 -0.067 Y(3D)4F 7 9 245584.455 1.302 0.922 Y(3D)4F 7 0.369 Y(1F)2G 9 0.086 Y(3F)4F 8 10 248080.837 1.142 -0.926 Y(1F)2G 9 0.365 Y(3D)4F 7 0.078 Y(3F)4G 6 10 VECTORS WRITTEN TO UNIT 3 20.01 J 5.5 1 3p6 4s 2 3p6 5s 3 3p6 6s 4 3p6 7s 5 3p6 8s 6 3p6 9s 7 3p6 10s 8 3p6 11s 9 3p6 12s A 3p6 13s B 3p6 14s C 3p6 3d D 3p6 4d E 3p6 5d F 3p6 6d G 3p6 7d H 3p6 8d I 3p6 9d J 3p6 10d K 3p6 11d L 3p6 12d M 3p6 13d N 3p6 14d O 3p6 15d P 3p6 16d Q 3p6 5g R 3p6 6g S 3p6 7g T 3p6 8g U 3p6 9g V 3p6 7i W 3p6 8i X 3p6 9i Y 3p5 3d4p Z 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 86792.48 87109.500 317.0 0.923 7i 2I 1.000 V(1S)2I 1 2 88892.45 89209.200 316.8 0.923 8i 2I 1.000 W(1S)2I 2 3 90332.18 90648.500 316.3 0.923 9i 2I 1.000 X(1S)2I 3 4 231226.564 1.273 1.000 Y(3F)4G 4 4 VECTORS WRITTEN TO UNIT 3 20.01 J 6.5 1 3p6 4s 2 3p6 5s 3 3p6 6s 4 3p6 7s 5 3p6 8s 6 3p6 9s 7 3p6 10s 8 3p6 11s 9 3p6 12s A 3p6 13s B 3p6 14s C 3p6 3d D 3p6 4d E 3p6 5d F 3p6 6d G 3p6 7d H 3p6 8d I 3p6 9d J 3p6 10d K 3p6 11d L 3p6 12d M 3p6 13d N 3p6 14d O 3p6 15d P 3p6 16d Q 3p6 5g R 3p6 6g S 3p6 7g T 3p6 8g U 3p6 9g V 3p6 7i W 3p6 8i X 3p6 9i Y 3p5 3d4p Z 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 86792.48 87109.500 317.0 1.077 7i 2I 1.000 V(1S)2I 1 2 88892.45 89209.200 316.8 1.077 8i 2I 1.000 W(1S)2I 2 3 90332.18 90648.500 316.3 1.077 9i 2I 1.000 X(1S)2I 3 3 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 12-NOV-2010 15:49:04.12 Accounting information: Buffered I/O count: 155 Peak working set size: 9408 Direct I/O count: 218 Peak virtual size: 322432 Page faults: 2042 Mounted volumes: 0 Charged CPU time: 0 00:00:00.21 Elapsed time: 0 00:00:01.38