$ 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 2407 $SET VERIFY=NOIMAGE $ASSIGN B2407EZ.PUN FOR007 $ASSIGN H2407EZ.HAM FOR001 $ASSIGN EAV2407EZ.DAT FOR066 $ASSIGN B2407E.EIG FOR003 $ASSIGN POOLG:B2407E15 FOR015 $ASSIGN POOLG:B2407E16 FOR016 $RUN CRAY:LEAST3007 NPAR 146 NJ 8 FIRSTJ 1.5 1 s 2 p 4 d 0 g 1 i 0 s 0 s 0 s 0 2 s 2 p 4 d 0 g 1 i 0 s 0 s 0 s 0 3 s 2 p 4 d 0 g 1 i 0 s 0 s 0 s 0 4 s 2 p 4 d 0 g 1 i 0 s 0 s 0 s 0 5 s 2 p 4 d 0 g 1 i 0 s 0 s 0 s 0 6 s 2 p 4 d 0 g 0 i 1 s 0 s 0 s 0 7 s 2 p 4 d 0 g 0 i 1 s 0 s 0 s 0 8 s 2 p 4 d 0 g 0 i 1 s 0 s 0 s 0 LS STATES FOR LOWEST CONFIGURATION 1.5 1(3P)4F 1 1.5 1(1D)2D 2 2.5 1(3P)4G 1 2.5 1(3P)4F 2 2.5 1(3P)2F 3 2.5 1(1D)2F 4 2.5 1(1D)2D 5 3.5 1(3P)4H 1 3.5 1(3P)4G 2 3.5 1(3P)4F 3 3.5 1(3P)2G 4 3.5 1(1D)2G 5 3.5 1(1S)2G 6 3.5 1(3P)2F 7 3.5 1(1D)2F 8 4.5 1(3P)4H 1 4.5 1(3P)4G 2 4.5 1(3P)4F 3 4.5 1(3P)2H 4 4.5 1(1D)2H 5 4.5 1(3P)2G 6 4.5 1(1D)2G 7 4.5 1(1S)2G 8 5.5 1(3P)4H 1 5.5 1(3P)4G 2 5.5 1(1D)2I 3 5.5 1(3P)2H 4 5.5 1(1D)2H 5 6.5 1(3P)4H 1 6.5 1(1D)2I 2 TOTAL 30 0 10 25 46 55 49 34 15 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 240 55 1 0 0 10 35 81 136 185 219 234 240 240 240 240 240 240 240 240 240 240 240 240 240 240 0 1Sugar, J. and Corliss, C. 1985. J.Phys.Chem.Ref.Data 14,Suppl. 2, 1-665. 2 3 4 5 6 7 8 9 0 0 0 0 0.300 1.500 2 0.6 30 50 50 30 20 10 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0.6 0 10 25 30 20 10 10 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24.07 s2p4 5g s2p4 6g s2p4 7g s2p4 8g s2p4 9g s2p4 7i s2p4 8i s2p4 9i SENORITY MIXING CORRECTIONS 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 146 1049.7 20 LEAST SQUARES 1 1 EAV 1216962.3 0.0 1216962.3 FIXEDHF 1.000 0 0.0 0 s2p4 5g 2 1 F2(22) 96285.9 0.0 120357.4 FIXEDHF 0.800 0 0.0 0 s2p4 5g 3 1 ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 s2p4 5g 4 1 ZETA 2 7237.4 0.0 7237.4 FIXEDHF 1.000 0 0.0 0 s2p4 5g 5 1 ZETA 4 2.6 0.0 2.6 FIXEDHF 1.000 0 0.0 0 s2p4 5g 6 1 F2(24) 6574.4 0.0 8218.0 FIXEDHF 0.800 0 0.0 0 s2p4 5g 7 1 G3(24) 663.3 0.0 829.1 FIXEDHF 0.800 0 0.0 0 s2p4 5g 8 1 G5(24) 467.7 0.0 584.6 FIXEDHF 0.800 0 0.0 0 s2p4 5g 9 2 EAV 1303599.8 0.0 1303599.8 FIXEDHF 1.000 0 0.0 0 s2p4 6g 10 2 F2(22) 96295.2 0.0 120369.0 FIXEDHF 0.800 0 0.0 0 s2p4 6g 11 2 ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 s2p4 6g 12 2 ZETA 2 7238.0 0.0 7238.0 FIXEDHF 1.000 0 0.0 0 s2p4 6g 13 2 ZETA 4 1.5 0.0 1.5 FIXEDHF 1.000 0 0.0 0 s2p4 6g 14 2 F2(24) 3874.9 0.0 4843.6 FIXEDHF 0.800 0 0.0 0 s2p4 6g 15 2 G3(24) 623.7 0.0 779.6 FIXEDHF 0.800 0 0.0 0 s2p4 6g 16 2 G5(24) 441.5 0.0 551.9 FIXEDHF 0.800 0 0.0 0 s2p4 6g 17 3 EAV 1355772.0 0.0 1355772.0 FIXEDHF 1.000 0 0.0 0 s2p4 7g 18 3 F2(22) 96308.9 0.0 120386.1 FIXEDHF 0.800 0 0.0 0 s2p4 7g 19 3 ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 s2p4 7g 20 3 ZETA 2 7239.1 0.0 7239.1 FIXEDHF 1.000 0 0.0 0 s2p4 7g 21 3 ZETA 4 1.0 0.0 1.0 FIXEDHF 1.000 0 0.0 0 s2p4 7g 22 3 F2(24) 2455.2 0.0 3068.9 FIXEDHF 0.800 0 0.0 0 s2p4 7g 23 3 G3(24) 482.8 0.0 603.5 FIXEDHF 0.800 0 0.0 0 s2p4 7g 24 3 G5(24) 342.6 0.0 428.3 FIXEDHF 0.800 0 0.0 0 s2p4 7g 25 4 EAV 1389600.1 0.0 1389600.1 FIXEDHF 1.000 0 0.0 0 s2p4 8g 26 4 F2(22) 96319.1 0.0 120398.9 FIXEDHF 0.800 0 0.0 0 s2p4 8g 27 4 ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 s2p4 8g 28 4 ZETA 2 7240.0 0.0 7240.0 FIXEDHF 1.000 0 0.0 0 s2p4 8g 29 4 ZETA 4 0.7 0.0 0.7 FIXEDHF 1.000 0 0.0 0 s2p4 8g 30 4 F2(24) 1646.0 0.0 2057.5 FIXEDHF 0.800 0 0.0 0 s2p4 8g 31 4 G3(24) 360.9 0.0 451.1 FIXEDHF 0.800 0 0.0 0 s2p4 8g 32 4 G5(24) 256.5 0.0 320.6 FIXEDHF 0.800 0 0.0 0 s2p4 8g 33 5 EAV 1412775.4 0.0 1412775.4 FIXEDHF 1.000 0 0.0 0 s2p4 9g 34 5 F2(22) 96326.1 0.0 120407.6 FIXEDHF 0.800 0 0.0 0 s2p4 9g 35 5 ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 s2p4 9g 36 5 ZETA 2 7240.6 0.0 7240.6 FIXEDHF 1.000 0 0.0 0 s2p4 9g 37 5 ZETA 4 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 s2p4 9g 38 5 F2(24) 1154.3 0.0 1442.9 FIXEDHF 0.800 0 0.0 0 s2p4 9g 39 5 G3(24) 270.6 0.0 338.2 FIXEDHF 0.800 0 0.0 0 s2p4 9g 40 5 G5(24) 192.5 0.0 240.6 FIXEDHF 0.800 0 0.0 0 s2p4 9g 41 6 EAV 1356463.0 0.0 1356463.0 FIXEDHF 1.000 0 0.0 0 s2p4 7i 42 6 F2(22) 96344.3 0.0 120430.4 FIXEDHF 0.800 0 0.0 0 s2p4 7i 43 6 ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 s2p4 7i 44 6 ZETA 2 7242.4 0.0 7242.4 FIXEDHF 1.000 0 0.0 0 s2p4 7i 45 6 ZETA 5 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 s2p4 7i 46 6 F2(25) 766.2 0.0 957.8 FIXEDHF 0.800 0 0.0 0 s2p4 7i 47 6 G5(25) 0.4 0.0 0.4 FIXEDHF 0.800 0 0.0 0 s2p4 7i 48 6 G7(25) 0.3 0.0 0.3 FIXEDHF 0.800 0 0.0 0 s2p4 7i 49 7 EAV 1390053.8 0.0 1390053.8 FIXEDHF 1.000 0 0.0 0 s2p4 8i 50 7 F2(22) 96344.2 0.0 120430.3 FIXEDHF 0.800 0 0.0 0 s2p4 8i 51 7 ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 s2p4 8i 52 7 ZETA 2 7242.4 0.0 7242.4 FIXEDHF 1.000 0 0.0 0 s2p4 8i 53 7 ZETA 5 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 s2p4 8i 54 7 F2(25) 513.5 0.0 641.9 FIXEDHF 0.800 0 0.0 0 s2p4 8i 55 7 G5(25) 0.5 0.0 0.7 FIXEDHF 0.800 0 0.0 0 s2p4 8i 56 7 G7(25) 0.4 0.0 0.5 FIXEDHF 0.800 0 0.0 0 s2p4 8i 57 8 EAV 1413089.9 0.0 1413089.9 FIXEDHF 1.000 0 0.0 0 s2p4 9i 58 8 F2(22) 96344.2 0.0 120430.3 FIXEDHF 0.800 0 0.0 0 s2p4 9i 59 8 ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 s2p4 9i 60 8 ZETA 2 7242.4 0.0 7242.4 FIXEDHF 1.000 0 0.0 0 s2p4 9i 61 8 ZETA 5 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 s2p4 9i 62 8 F2(25) 360.8 0.0 451.0 FIXEDHF 0.800 0 0.0 0 s2p4 9i 63 8 G5(25) 0.6 0.0 0.7 FIXEDHF 0.800 0 0.0 0 s2p4 9i 64 8 G7(25) 0.4 0.0 0.6 FIXEDHF 0.800 0 0.0 0 s2p4 9i 65 12 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 6g 66 12 2D2424 3839.1 0.0 4798.9 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 6g 67 12 3E2424 641.9 0.0 802.4 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 6g 68 12 5E2424 453.3 0.0 566.7 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 6g 69 13 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 7g 70 13 2D2424 2706.0 0.0 3382.5 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 7g 71 13 3E2424 563.0 0.0 703.7 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 7g 72 13 5E2424 397.9 0.0 497.4 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 7g 73 14 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 8g 74 14 2D2424 2062.7 0.0 2578.4 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 8g 75 14 3E2424 485.4 0.0 606.8 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 8g 76 14 5E2424 343.2 0.0 429.0 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 8g 77 15 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 9g 78 15 2D2424 1648.5 0.0 2060.6 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 9g 79 15 3E2424 419.4 0.0 524.3 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 9g 80 15 5E2424 296.6 0.0 370.8 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 9g 81 16 2D2425 1105.8 0.0 1382.2 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 7i 82 16 5E2425 10.6 0.0 13.3 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 7i 83 17 2D2425 1097.7 0.0 1372.1 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 8i 84 17 5E2425 13.2 0.0 16.5 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 8i 85 18 2D2425 995.9 0.0 1244.9 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 9i 86 18 5E2425 13.8 0.0 17.2 FIXEDHF 0.800 0 0.0 0 s2p4 5g -s2p4 9i 87 23 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 7g 88 23 2D2424 2732.1 0.0 3415.1 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 7g 89 23 3E2424 548.4 0.0 685.5 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 7g 90 23 5E2424 388.6 0.0 485.8 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 7g 91 24 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 8g 92 24 2D2424 2098.3 0.0 2622.8 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 8g 93 24 3E2424 473.5 0.0 591.9 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 8g 94 24 5E2424 335.8 0.0 419.7 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 8g 95 25 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 9g 96 25 2D2424 1685.6 0.0 2107.0 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 9g 97 25 3E2424 409.6 0.0 512.0 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 9g 98 25 5E2424 290.6 0.0 363.2 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 9g 99 26 2D2425 -270.3 0.0 -337.9 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 7i 100 26 5E2425 9.8 0.0 12.3 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 7i 101 27 2D2425 89.4 0.0 111.8 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 8i 102 27 5E2425 12.2 0.0 15.3 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 8i 103 28 2D2425 222.9 0.0 278.6 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 9i 104 28 5E2425 12.8 0.0 16.0 FIXEDHF 0.800 0 0.0 0 s2p4 6g -s2p4 9i 105 34 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 8g 106 34 2D2424 1880.2 0.0 2350.3 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 8g 107 34 3E2424 417.3 0.0 521.6 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 8g 108 34 5E2424 296.3 0.0 370.4 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 8g 109 35 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 9g 110 35 2D2424 1515.8 0.0 1894.8 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 9g 111 35 3E2424 361.1 0.0 451.4 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 9g 112 35 5E2424 256.6 0.0 320.7 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 9g 113 36 2D2425 -5.1 0.0 -6.3 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 7i 114 36 5E2425 8.4 0.0 10.5 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 7i 115 37 2D2425 -146.7 0.0 -183.4 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 8i 116 37 5E2425 10.5 0.0 13.1 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 8i 117 38 2D2425 -48.5 0.0 -60.6 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 9i 118 38 5E2425 10.9 0.0 13.6 FIXEDHF 0.800 0 0.0 0 s2p4 7g -s2p4 9i 119 45 0D2424 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 9g 120 45 2D2424 1322.5 0.0 1653.1 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 9g 121 45 3E2424 312.4 0.0 390.5 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 9g 122 45 5E2424 222.2 0.0 277.7 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 9g 123 46 2D2425 -1.4 0.0 -1.8 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 7i 124 46 5E2425 7.1 0.0 8.9 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 7i 125 47 2D2425 -5.6 0.0 -7.0 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 8i 126 47 5E2425 8.9 0.0 11.1 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 8i 127 48 2D2425 -79.0 0.0 -98.8 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 9i 128 48 5E2425 9.3 0.0 11.6 FIXEDHF 0.800 0 0.0 0 s2p4 8g -s2p4 9i 129 56 2D2425 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 9g -s2p4 7i 130 56 5E2425 6.1 0.0 7.6 FIXEDHF 0.800 0 0.0 0 s2p4 9g -s2p4 7i 131 57 2D2425 -2.5 0.0 -3.1 FIXEDHF 0.800 0 0.0 0 s2p4 9g -s2p4 8i 132 57 5E2425 7.6 0.0 9.4 FIXEDHF 0.800 0 0.0 0 s2p4 9g -s2p4 8i 133 58 2D2425 -5.2 0.0 -6.4 FIXEDHF 0.800 0 0.0 0 s2p4 9g -s2p4 9i 134 58 5E2425 7.9 0.0 9.9 FIXEDHF 0.800 0 0.0 0 s2p4 9g -s2p4 9i 135 67 0D2525 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 7i -s2p4 8i 136 67 2D2525 427.5 0.0 534.4 FIXEDHF 0.800 0 0.0 0 s2p4 7i -s2p4 8i 137 67 5E2525 0.4 0.0 0.5 FIXEDHF 0.800 0 0.0 0 s2p4 7i -s2p4 8i 138 67 7E2525 0.3 0.0 0.4 FIXEDHF 0.800 0 0.0 0 s2p4 7i -s2p4 8i 139 68 0D2525 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 7i -s2p4 9i 140 68 2D2525 297.2 0.0 371.5 FIXEDHF 0.800 0 0.0 0 s2p4 7i -s2p4 9i 141 68 5E2525 0.4 0.0 0.6 FIXEDHF 0.800 0 0.0 0 s2p4 7i -s2p4 9i 142 68 7E2525 0.3 0.0 0.4 FIXEDHF 0.800 0 0.0 0 s2p4 7i -s2p4 9i 143 78 0D2525 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 s2p4 8i -s2p4 9i 144 78 2D2525 354.9 0.0 443.6 FIXEDHF 0.800 0 0.0 0 s2p4 8i -s2p4 9i 145 78 5E2525 0.6 0.0 0.7 FIXEDHF 0.800 0 0.0 0 s2p4 8i -s2p4 9i 146 78 7E2525 0.4 0.0 0.5 FIXEDHF 0.800 0 0.0 0 s2p4 8i -s2p4 9i 24.07 J 1.5 1 s2p4 5g 2 s2p4 6g 3 s2p4 7g 4 s2p4 8g 5 s2p4 9g 6 s2p4 7i 7 s2p4 8i 8 s2p4 9i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1201609.171 0.415 0.980 1(3P)4F 1 0.200 1(1D)2D 2 2 1227753.741 0.784 -0.980 1(1D)2D 2 0.200 1(3P)4F 1 3 1287914.389 0.413 -0.981 2(3P)4F 3 -0.191 2(1D)2D 4 4 1315130.601 0.785 0.981 2(1D)2D 4 -0.191 2(3P)4F 3 5 1339919.224 0.413 -0.982 3(3P)4F 5 -0.188 3(1D)2D 6 6 1367674.816 0.785 0.982 3(1D)2D 6 -0.188 3(3P)4F 5 7 1373656.028 0.413 0.982 4(3P)4F 7 0.185 4(1D)2D 8 8 1396772.365 0.412 0.983 5(3P)4F 9 0.185 5(1D)2D 10 9 1401714.614 0.786 -0.982 4(1D)2D 8 0.186 4(3P)4F 7 10 1425013.008 0.786 0.983 5(1D)2D 10 -0.184 5(3P)4F 9 24.07 J 2.5 1 s2p4 5g 2 s2p4 6g 3 s2p4 7g 4 s2p4 8g 5 s2p4 9g 6 s2p4 7i 7 s2p4 8i 8 s2p4 9i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1200716.719 0.764 0.706 1(3P)4G 1 -0.538 1(3P)4F 2 -0.423 1(3P)2F 3 2 1201716.269 0.939 0.745 1(3P)2F 3 -0.635 1(3P)4F 2 -0.200 1(1D)2D 5 3 1208658.318 0.764 0.700 1(3P)4G 1 0.526 1(3P)4F 2 0.482 1(3P)2F 3 4 1227768.066 1.190 -0.979 1(1D)2D 5 -0.148 1(3P)2F 3 0.135 1(3P)4F 2 5 1229341.884 0.856 -0.982 1(1D)2F 4 -0.111 1(3P)4F 2 -0.108 1(3P)2F 3 6 1287429.846 0.790 -0.663 2(3P)4G 6 0.588 2(3P)4F 7 0.425 2(3P)2F 8 7 1288014.583 0.933 -0.763 2(3P)2F 8 0.615 2(3P)4F 7 0.192 2(1D)2D 10 8 1295400.024 0.743 -0.739 2(3P)4G 6 -0.497 2(3P)4F 7 -0.454 2(3P)2F 8 9 1315139.631 1.191 -0.981 2(1D)2D 10 -0.141 2(3P)2F 8 0.130 2(3P)4F 7 10 1316050.791 0.856 -0.982 2(1D)2F 9 -0.107 2(3P)4F 7 -0.107 2(3P)2F 8 11 1339627.129 0.805 -0.639 3(3P)4G 11 0.617 3(3P)4F 12 0.421 3(3P)2F 13 12 1339998.686 0.929 -0.775 3(3P)2F 13 0.599 3(3P)4F 12 0.187 3(1D)2D 15 13 1347652.878 0.732 -0.758 3(3P)4G 11 -0.482 3(3P)4F 12 -0.438 3(3P)2F 13 14 1367680.705 1.191 -0.981 3(1D)2D 15 -0.138 3(3P)2F 13 0.128 3(3P)4F 12 15 1368249.841 0.856 0.982 3(1D)2F 14 -0.108 3(3P)4G 11 0.106 3(3P)4F 12 16 1373465.495 0.815 -0.636 4(3P)4F 17 0.625 4(3P)4G 16 -0.415 4(3P)2F 18 17 1373717.931 0.926 0.784 4(3P)2F 18 -0.587 4(3P)4F 17 -0.184 4(1D)2D 20 18 1381535.594 0.726 0.769 4(3P)4G 16 0.473 4(3P)4F 17 0.429 4(3P)2F 18 19 1396645.330 0.820 0.647 5(3P)4F 22 -0.616 5(3P)4G 21 0.411 5(3P)2F 23 20 1396818.087 0.924 0.789 5(3P)2F 23 -0.579 5(3P)4F 22 -0.183 5(1D)2D 25 J 2.5 21 1401719.358 1.191 -0.982 4(1D)2D 20 -0.135 4(3P)2F 18 0.128 4(3P)4F 17 22 1402091.922 0.856 -0.982 4(1D)2F 19 0.109 4(3P)4G 16 -0.105 4(3P)2F 18 23 1404750.228 0.722 -0.776 5(3P)4G 21 -0.468 5(3P)4F 22 -0.423 5(3P)2F 23 24 1425016.189 1.191 0.982 5(1D)2D 25 0.134 5(3P)2F 23 -0.127 5(3P)4F 22 25 1425274.376 0.856 -0.982 5(1D)2F 24 0.110 5(3P)4G 21 -0.104 5(3P)4F 22 24.07 J 3.5 1 s2p4 5g 2 s2p4 6g 3 s2p4 7g 4 s2p4 8g 5 s2p4 9g 6 s2p4 7i 7 s2p4 8i 8 s2p4 9i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1200233.406 0.978 0.723 1(3P)4G 2 0.425 1(3P)2G 4 -0.318 1(3P)4F 3 2 1200870.462 1.053 0.629 1(3P)2G 4 0.549 1(3P)4F 3 -0.408 1(3P)2F 7 3 1208748.429 1.077 0.643 1(3P)4F 3 -0.526 1(3P)2G 4 0.471 1(3P)4G 2 4 1209688.426 0.885 0.745 1(3P)4H 1 -0.592 1(3P)2F 7 -0.294 1(3P)4F 3 5 1210742.759 0.926 0.587 1(3P)4H 1 0.542 1(3P)2F 7 0.361 1(3P)4G 2 6 1229306.179 1.142 0.983 1(1D)2F 8 0.131 1(3P)4F 3 0.081 1(3P)2G 4 7 1230401.241 0.891 -0.983 1(1D)2G 5 -0.112 1(3P)4G 2 -0.100 1(3P)2G 4 8 1265234.703 0.889 -0.980 1(1S)2G 6 -0.124 1(3P)4H 1 -0.087 1(3P)2F 7 9 1287147.353 0.991 0.723 2(3P)4G 10 -0.383 2(3P)4F 11 0.371 2(3P)2G 12 10 1287569.102 1.059 -0.626 2(3P)2G 12 -0.552 2(3P)4F 11 0.455 2(3P)2F 15 11 1295486.203 1.063 0.617 2(3P)4F 11 -0.549 2(3P)2G 12 0.500 2(3P)4G 10 12 1296057.400 0.896 0.726 2(3P)4H 9 -0.615 2(3P)2F 15 -0.285 2(3P)4F 11 13 1297325.160 0.909 -0.603 2(3P)4H 9 -0.504 2(3P)2F 15 -0.381 2(3P)4G 10 14 1316014.626 1.142 -0.983 2(1D)2F 16 -0.128 2(3P)4F 11 -0.083 2(3P)2G 12 15 1316698.430 0.891 -0.983 2(1D)2G 13 -0.112 2(3P)4G 10 -0.099 2(3P)2G 12 16 1339448.407 0.999 0.717 3(3P)4G 18 -0.416 3(3P)4F 19 0.347 3(3P)2G 20 17 1339733.044 1.062 -0.622 3(3P)2G 20 -0.549 3(3P)4F 19 0.478 3(3P)2F 23 18 1340420.963 0.673 0.983 6(3P)4H 41 0.184 6(1D)2G 42 19 1347720.459 1.055 -0.603 3(3P)4F 19 0.561 3(3P)2G 20 -0.511 3(3P)4G 18 20 1348086.445 0.902 0.714 3(3P)4H 17 -0.625 3(3P)2F 23 -0.280 3(3P)4F 19 J 3.5 21 1349476.955 0.901 0.612 3(3P)4H 17 0.481 3(3P)2F 23 0.396 3(3P)4G 18 22 1351819.297 0.889 -0.980 2(1S)2G 14 -0.123 2(3P)4H 9 -0.086 2(3P)2F 15 23 1368222.486 1.142 -0.983 3(1D)2F 24 -0.127 3(3P)4F 19 -0.084 3(3P)2G 20 24 1368686.009 0.891 0.982 3(1D)2G 21 0.111 3(3P)4G 18 0.097 3(3P)2G 20 25 1368787.195 0.881 0.983 6(1D)2G 42 -0.184 6(3P)4H 41 26 1373347.070 1.004 -0.713 4(3P)4G 26 0.437 4(3P)4F 27 -0.332 4(3P)2G 28 27 1373543.986 1.063 0.620 4(3P)2G 28 0.546 4(3P)4F 27 -0.492 4(3P)2F 31 28 1373983.210 0.673 0.983 7(3P)4H 43 0.183 7(1D)2G 44 29 1381586.507 1.050 -0.594 4(3P)4F 27 0.568 4(3P)2G 28 -0.517 4(3P)4G 26 30 1381832.569 0.905 0.708 4(3P)4H 25 -0.631 4(3P)2F 31 -0.275 4(3P)4F 27 24.07 J 4.5 1 s2p4 5g 2 s2p4 6g 3 s2p4 7g 4 s2p4 8g 5 s2p4 9g 6 s2p4 7i 7 s2p4 8i 8 s2p4 9i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1200150.120 1.154 0.833 1(3P)4G 2 -0.397 1(3P)4H 1 -0.335 1(3P)4F 3 2 1200406.562 1.080 -0.818 1(3P)2G 6 0.413 1(3P)2H 4 -0.258 1(3P)4F 3 3 1208897.635 1.005 0.670 1(3P)4H 1 0.486 1(3P)2H 4 0.475 1(3P)2G 6 4 1209666.211 1.136 -0.707 1(3P)4F 3 -0.555 1(3P)2H 4 0.420 1(3P)4H 1 5 1210732.242 1.114 0.551 1(3P)4F 3 -0.519 1(3P)2H 4 0.409 1(3P)4G 2 6 1230381.863 1.113 0.983 1(1D)2G 7 0.125 1(3P)4G 2 -0.079 1(3P)4F 3 7 1230542.917 0.913 -0.985 1(1D)2H 5 0.109 1(3P)2G 6 -0.089 1(3P)4H 1 8 1265232.755 1.111 -0.980 1(1S)2G 8 -0.101 1(3P)4F 3 0.096 1(3P)2H 4 9 1287077.330 1.154 -0.812 2(3P)4G 10 0.416 2(3P)4H 9 0.362 2(3P)4F 11 10 1287305.054 1.077 -0.795 2(3P)2G 14 0.436 2(3P)2H 12 -0.273 2(3P)4F 11 11 1295586.774 1.012 -0.657 2(3P)4H 9 -0.502 2(3P)2G 14 -0.466 2(3P)2H 12 12 1296027.324 1.139 -0.711 2(3P)4F 11 -0.553 2(3P)2H 12 0.409 2(3P)4H 9 13 1297316.104 1.107 0.521 2(3P)4F 11 -0.521 2(3P)2H 12 0.432 2(3P)4G 10 14 1316677.075 1.111 0.977 2(1D)2G 15 0.117 2(3P)4G 10 0.114 2(1D)2H 13 15 1316725.475 0.916 -0.978 2(1D)2H 13 0.114 2(1D)2G 15 0.106 2(3P)2G 14 16 1339397.953 1.153 -0.800 3(3P)4G 18 0.428 3(3P)4H 17 0.375 3(3P)4F 19 17 1339568.458 1.075 0.784 3(3P)2G 22 -0.446 3(3P)2H 20 0.282 3(3P)4F 19 18 1340324.708 0.853 -0.646 6(3P)4I 41 0.576 6(3P)4H 42 0.466 6(3P)2H 43 19 1340422.888 0.939 0.763 6(3P)2H 43 -0.620 6(3P)4H 42 -0.184 6(1D)2G 45 20 1347787.796 1.015 -0.647 3(3P)4H 17 -0.517 3(3P)2G 22 -0.459 3(3P)2H 20 24.07 J 5.5 1 s2p4 5g 2 s2p4 6g 3 s2p4 7g 4 s2p4 8g 5 s2p4 9g 6 s2p4 7i 7 s2p4 8i 8 s2p4 9i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1200147.807 1.224 -0.823 1(3P)4G 2 0.469 1(3P)4H 1 -0.270 1(3P)2H 4 2 1201270.811 1.096 0.837 1(3P)2H 4 0.513 1(3P)4H 1 0.191 1(1D)2I 3 3 1208826.388 1.168 0.706 1(3P)4H 1 0.552 1(3P)4G 2 -0.443 1(3P)2H 4 4 1228534.272 0.929 -0.981 1(1D)2I 3 0.162 1(3P)2H 4 0.101 1(3P)4H 1 5 1230561.672 1.095 -0.985 1(1D)2H 5 0.128 1(3P)4G 2 -0.096 1(3P)4H 1 6 1287073.771 1.218 -0.800 2(3P)4G 7 0.502 2(3P)4H 6 -0.278 2(3P)2H 9 7 1287737.215 1.096 -0.841 2(3P)2H 9 -0.507 2(3P)4H 6 -0.187 2(1D)2I 8 8 1295509.737 1.173 0.687 2(3P)4H 6 0.585 2(3P)4G 7 -0.431 2(3P)2H 9 9 1315554.927 0.929 0.982 2(1D)2I 8 -0.159 2(3P)2H 9 -0.099 2(3P)4H 6 10 1316738.712 1.095 -0.984 2(1D)2H 10 0.133 2(3P)4G 7 -0.097 2(3P)4H 6 24.07 J 6.5 1 s2p4 5g 2 s2p4 6g 3 s2p4 7g 4 s2p4 8g 5 s2p4 9g 6 s2p4 7i 7 s2p4 8i 8 s2p4 9i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1201210.079 1.226 0.982 1(3P)4H 1 0.191 1(1D)2I 2 2 1228542.905 1.083 -0.982 1(1D)2I 2 0.191 1(3P)4H 1 3 1287674.927 1.226 0.982 2(3P)4H 3 0.187 2(1D)2I 4 4 1315559.095 1.082 -0.982 2(1D)2I 4 0.187 2(3P)4H 3 5 1339765.265 1.226 -0.983 3(3P)4H 5 -0.185 3(1D)2I 6 6 1340268.779 1.110 0.700 6(3P)4I 12 -0.457 6(3P)4H 13 -0.393 6(3P)2I 16 7 1340275.707 1.026 -0.658 6(3P)2I 16 0.487 6(3P)4K 11 0.406 6(3P)2K 14 8 1348492.352 1.008 -0.602 6(3P)4K 11 -0.545 6(3P)2I 16 -0.470 6(3P)2K 14 9 1348600.823 1.089 -0.704 6(3P)4H 13 -0.553 6(3P)2K 14 0.432 6(3P)4K 11 10 1350150.408 1.077 0.527 6(3P)4H 13 -0.482 6(3P)2K 14 0.471 6(3P)4I 12 24.07 J 7.5 1 s2p4 5g 2 s2p4 6g 3 s2p4 7g 4 s2p4 8g 5 s2p4 9g 6 s2p4 7i 7 s2p4 8i 8 s2p4 9i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1340277.486 1.149 -0.752 6(3P)4I 2 0.535 6(3P)4K 1 -0.340 6(3P)2K 4 2 1340387.507 1.069 0.828 6(3P)2K 4 0.530 6(3P)4K 1 0.183 6(1D)2L 3 3 1348494.247 1.132 0.645 6(3P)4I 2 0.643 6(3P)4K 1 -0.413 6(3P)2K 4 4 1368853.697 0.945 -0.983 6(1D)2L 3 0.154 6(3P)2K 4 0.099 6(3P)4K 1 5 1369088.598 1.070 0.984 6(1D)2K 5 -0.136 6(3P)4I 2 0.100 6(3P)4K 1 6 1373887.234 1.149 0.749 7(3P)4I 7 -0.538 7(3P)4K 6 0.342 7(3P)2K 9 7 1373960.571 1.069 0.828 7(3P)2K 9 0.530 7(3P)4K 6 0.183 7(1D)2L 8 8 1382094.242 1.133 0.648 7(3P)4I 7 0.641 7(3P)4K 6 -0.411 7(3P)2K 9 9 1396934.717 1.148 -0.747 8(3P)4I 12 0.540 8(3P)4K 11 -0.342 8(3P)2K 14 10 1396985.618 1.069 -0.829 8(3P)2K 14 -0.529 8(3P)4K 11 -0.182 8(1D)2L 13 24.07 J 8.5 1 s2p4 5g 2 s2p4 6g 3 s2p4 7g 4 s2p4 8g 5 s2p4 9g 6 s2p4 7i 7 s2p4 8i 8 s2p4 9i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1340389.393 1.173 0.983 6(3P)4K 1 0.183 6(1D)2L 2 2 1368855.609 1.063 -0.983 6(1D)2L 2 0.183 6(3P)4K 1 3 1373961.801 1.173 0.983 7(3P)4K 3 0.183 7(1D)2L 4 4 1396986.840 1.173 -0.983 8(3P)4K 5 -0.182 8(1D)2L 6 5 1402484.788 1.063 0.983 7(1D)2L 4 -0.183 7(3P)4K 3 6 1425544.228 1.063 0.983 8(1D)2L 6 -0.182 8(3P)4K 5 KURUCZ job terminated at 2-APR-2016 16:03:13.86 Accounting information: Buffered I/O count: 150 Peak working set size: 9296 Direct I/O count: 169 Peak virtual size: 322592 Page faults: 2061 Mounted volumes: 0 Charged CPU time: 0 00:00:00.15 Elapsed time: 0 00:00:23.49