$ 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 1900 $SET VERIFY=NOIMAGE $ASSIGN B1900EZ.PUN FOR007 $ASSIGN H1900EZ.HAM FOR001 $ASSIGN EAV1900EZ.DAT FOR066 $ASSIGN B1900EZ.EIG FOR003 $ASSIGN POOLG:B1900E15 FOR015 $ASSIGN POOLG:B1900E16 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 Sansonetti, J.E. 2008. J. Phys. Chem. Ref. Data 37, 1-96. 2 Risberg, P. 1956. Ark. Fys. 10, 583-606. 3 4 5 6 7 8 9 0 0 0 0 0.300 1.300 4 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 4 1.0 20 30 36 18 10 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19.00 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 0.000 2.0022 3p6.4s 2S 4s 2S 0 0.5 21026.551 3p6.5s 2S 5s 2S 0 0.5 27450.710 3p6.6s 2S 6s 2S 0 0.5 30274.249 2.0020 3p6.7s 2S 7s 2S 0 0.5 31765.377 2.0028 3p6.8s 2S 8s 2S 0 0.5 32648.351 3p6.9s 2S 9s 2S 0 0.5 33214.227 3p6.10s 2S 10s 2S 0 0.5 33598.560 3p6.11s 2S 11s 2S 0 0.5 33871.479 3p6.12s 2S 12s 2S 0 0.5 34072.239 3p6.13s 2S 13s 2S 0 0.5 34224.211 3p6.14s 2S 14s 2S 0 0.5 164998. 3p5.4s4p(3P) 4D 4s4p3P 4D 1 0.5 3p5.4s4p(3P) 4P 4s4p3P 4P 1 0.5 168378. 3p5.4s4p(3P) 2P 4s4p3P 2P 1 0.5 1 0.5 1 0.5 1 0.5 0 0.5 176278. 3p5.4s4p(1P) 2S 4s4p1P 2S 0 -1.0 0 1.5 21536.988 3p6.3d 2D 3d 2D 0 1.5 27398.147 3p6.4d 2D 4d 2D 0 1.5 30185.748 0.7997 3p6.5d 2D 5d 2D 0 1.5 31696.166 0.7999 3p6.6d 2D 6d 2D 0 1.5 32598.444 3p6.7d 2D 7d 2D 0 1.5 33178.232 3p6.8d 2D 8d 2D 0 1.5 33572.125 3p6.9d 2D 9d 2D 0 1.5 33851.642 3p6.10d 2D 10d 2D 0 1.5 34057.039 3p6.11d 2D 11d 2D 0 1.5 34212.339 3p6.12d 2D 12d 2D 0 1.5 34332.582 3p6.13d 2D 13d 2D 0 1.5 34427.567 3p6.14d 2D 14d 2D 0 1.5 34503.897 3p6.15d 2D 15d 2D 0 1.5 34566.152 3p6.16d 2D 16d 2D 0 1.5 161473. 3p5.4s4p(3P) 4S 4s4p3P 4S 0 1.5 164506. 3p5.4s4p(3P) 4D 4s4p3P 4D 1 1.5 3p5.4s4p(3P) 4P 4s4p3P 4P 0 1.5 166506. 3p5.4s4p(3P) 2D 4s4p3P 2D 1 1.5 168515. 3p5.4s4p(3P) 2P 4s4p3P 2P 1 1.5 1 1.5 1 1.5 1 1.5 177775. 3p5.4s4p(1P) 2D 4s4p1P 2D 1 1.5 1 1.5 0 1.5 180315. 3p5.4s4p(1P) 2P 4s4p1P 2P 0 -1.0 0 2.5 21534.680 3p6.3d 2D 3d 2D 0 2.5 27397.077 3p6.4d 2D 4d 2D 0 2.5 30185.244 1.2004 3p6.5d 2D 5d 2D 0 2.5 31695.901 1.2013 3p6.6d 2D 6d 2D 0 2.5 32598.288 3p6.7d 2D 7d 2D 0 2.5 33178.134 3p6.8d 2D 8d 2D 0 2.5 33572.059 3p6.9d 2D 9d 2D 0 2.5 33851.596 3p6.10d 2D 10d 2D 0 2.5 34057.005 3p6.11d 2D 11d 2D 0 2.5 34212.314 3p6.12d 2D 12d 2D 0 2.5 34332.563 3p6.13d 2D 13d 2D 0 2.5 34427.551 3p6.14d 2D 14d 2D 0 2.5 34503.884 3p6.15d 2D 15d 2D 0 2.5 34566.142 3p6.16d 2D 16d 2D 1 2.5 3p5.4s4p(3P) 4D 4s4p3P 4D 1 2.5 3p5.4s4p(3P) 4P 4s4p3P 4P 0 2.5 166950. 3p5.4s4p(3P) 2D 4s4p3P 2D 1 2.5 0 2.5 175815. 3p5.4s4p(1P) 2D 4s4p1P 2D 0 -1.0 0 3.5 30617.31 3p6.5g 2G 5g 2G 0 3.5 31959.62 P 3p6.6g 2G 6g 2G polar 0 3.5 32768.97 P 3p6.7g 2G 7g 2G polar 0 3.5 33294.24 P 3p6.8g 2G 8g 2G polar 0 3.5 33654.36 P 3p6.9g 2G 9g 2G polar 0 -1.0 0 4.5 30617.31 3p6.5g 2G 5g 2G 0 4.5 31959.62 P 3p6.6g 2G 6g 2G polar 0 4.5 32768.97 P 3p6.7g 2G 7g 2G polar 0 4.5 33294.24 P 3p6.8g 2G 8g 2G polar 0 4.5 33654.36 P 3p6.9g 2G 9g 2G polar 0 -1.0 0 5.5 32770.10 P 3p6.7i 2I 7i 2I polar 0 5.5 33295.03 P 3p6.8i 2I 8i 2I polar 0 5.5 33654.92 P 3p6.9i 2I 9i 2I polar 0 -1.0 0 6.5 32770.10 P 3p6.7i 2I 7i 2I polar 0 6.5 33295.03 P 3p6.8i 2I 8i 2I polar 0 6.5 33654.92 P 3p6.9i 2I 9i 2I polar 222 123.5 36 LEAST SQUARES 1 1 EAV 1692.1 125.0 0.0 1.000 0 0.0 0 3p6 4s 2 2 EAV 21076.2 124.0 21569.4 1.000 0 0.0 0 3p6 5s 3 3 EAV 27467.2 124.0 28000.6 1.000 0 0.0 0 3p6 6s 4 4 EAV 30281.8 124.0 30821.6 1.000 0 0.0 0 3p6 7s 5 5 EAV 31769.4 124.0 32310.8 1.000 0 0.0 0 3p6 8s 6 6 EAV 32650.8 124.0 33192.8 1.000 0 0.0 0 3p6 9s 7 7 EAV 33215.8 124.0 33757.7 1.000 0 0.0 0 3p6 10s 8 8 EAV 33599.6 124.0 34141.6 1.000 0 0.0 0 3p6 11s 9 9 EAV 33872.3 124.0 34414.4 1.000 0 0.0 0 3p6 12s 10 A EAV 34072.8 124.0 34615.1 1.000 0 0.0 0 3p6 13s 11 B EAV 34224.6 124.0 34767.0 1.000 0 0.0 0 3p6 14s 12 C EAV 22444.4 88.0 22125.1 1.000 0 0.0 0 3p6 3d 13 C ZETA 2 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 14 D EAV 27472.1 88.0 27969.1 1.000 0 0.0 0 3p6 4d 15 D ZETA 6 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 16 E EAV 30228.4 88.0 30751.9 1.000 0 0.0 0 3p6 5d 17 E ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 18 F EAV 31721.8 88.0 32257.5 1.000 0 0.0 0 3p6 6d 19 F ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 20 G EAV 32614.7 88.0 33155.4 1.000 0 0.0 0 3p6 7d 21 G ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 22 H EAV 33189.1 88.0 33731.3 1.000 0 0.0 0 3p6 8d 23 H ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 24 I EAV 33579.7 88.0 34122.8 1.000 0 0.0 0 3p6 9d 25 I ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 26 J EAV 33857.1 88.0 34400.5 1.000 0 0.0 0 3p6 10d 27 J ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 28 K EAV 34061.0 87.0 34604.5 1.000 0 0.0 0 3p6 11d 29 K ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 30 L EAV 34215.4 87.0 34758.7 1.000 0 0.0 0 3p6 12d 31 L ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 32 M EAV 34334.9 87.0 34878.1 1.000 0 0.0 0 3p6 13d 33 M ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 34 N EAV 34429.4 87.0 34972.5 1.000 0 0.0 0 3p6 14d 35 N ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 36 O EAV 34505.4 87.0 35048.3 1.000 0 0.0 0 3p6 15d 37 O ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 38 P EAV 34567.3 87.0 35110.1 1.000 0 0.0 0 3p6 16d 39 P ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 40 Q EAV 30617.3 87.0 31161.8 1.000 0 -546.0 0 3p6 5g 41 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 42 R EAV 31959.6 87.0 32503.1 1.000 0 -546.0 0 3p6 6g 43 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 44 S EAV 32769.0 87.0 33311.9 1.000 0 -546.0 0 3p6 7g 45 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 46 T EAV 33294.2 87.0 33836.8 1.000 0 -546.0 0 3p6 8g 47 T ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 48 U EAV 33654.4 87.0 34196.9 1.000 0 -546.0 0 3p6 9g 49 U ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 50 V EAV 32770.1 87.0 33312.2 1.000 0 -546.0 0 3p6 7i 51 V ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 52 W EAV 33295.0 87.0 33837.1 1.000 0 -546.0 0 3p6 8i 53 W ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 54 X EAV 33654.9 87.0 34196.9 1.000 0 -546.0 0 3p6 9i 55 X ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 56 Y EAV 186682.2 0.0 186682.2 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 57 Y ZETA 1 1447.7 0.0 1447.7 FIXEDHF 1.000 0 0.0 0 58 Y ZETA 2 20.2 0.0 20.2 FIXEDHF 1.000 0 0.0 0 59 Y ZETA 4 59.2 0.0 59.2 FIXEDHF 1.000 0 0.0 0 60 Y F2(12) 32772.4 0.0 40965.5 FIXEDHF 0.800 0 0.0 0 61 Y F2(14) 4383.5 0.0 5479.4 FIXEDHF 0.800 0 0.0 0 62 Y F2(24) 8577.3 0.0 10721.6 FIXEDHF 0.800 0 0.0 0 63 Y G1(12) 39355.1 0.0 49193.9 FIXEDHF 0.800 0 0.0 0 64 Y G3(12) 23060.2 0.0 28825.2 FIXEDHF 0.800 0 0.0 0 65 Y G0(14) 1557.4 0.0 1946.8 FIXEDHF 0.800 0 0.0 0 66 Y G2(14) 1358.2 0.0 1697.8 FIXEDHF 0.800 0 0.0 0 67 Y G1(24) 6022.0 0.0 7527.5 FIXEDHF 0.800 0 0.0 0 68 Y G3(24) 4179.3 0.0 5224.1 FIXEDHF 0.800 0 0.0 0 69 Z EAV 169604.3 52.0 166702.5 1.000 0 0.0 0 3p5 4s4p 70 Z ZETA 1 1422.0 0.0 1496.8 FIXEDHF 0.950 0 0.0 0 71 Z ZETA 4 87.7 0.0 87.7 FIXEDHF 1.000 0 0.0 0 72 Z F2(14) 5935.2 0.0 7419.0 FIXEDHF 0.800 0 0.0 0 73 Z G1(13) 3289.0 0.0 4111.2 FIXEDHF 0.800 0 0.0 0 74 Z G0(14) 1330.6 58.0 2572.4 0.800 0 0.0 0 75 Z G2(14) 1177.5 0.0 2354.9 FIXEDHF 0.500 0 0.0 0 76 Z G1(34) 24168.1 240.0 23619.6 0.800 0 0.0 0 77 1Y 1D1324 10864.2 0.0 13580.3 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 3d4p 78 1Y 2E1324 1756.6 0.0 2195.7 FIXEDHF 0.800 0 0.0 0 79 1Z 0D1114 1625.1 0.0 2031.4 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 80 1Z 2D1114 7283.5 0.0 9104.4 FIXEDHF 0.800 0 0.0 0 81 1Z 1D1334 -3906.6 0.0 -4883.3 FIXEDHF 0.800 0 0.0 0 82 1Z 0E1334 -556.2 0.0 -695.3 FIXEDHF 0.800 0 0.0 0 83 2Y 1D1524 2329.6 0.0 2912.0 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 84 2Y 2E1524 716.2 0.0 895.3 FIXEDHF 0.800 0 0.0 0 85 2Z 1D1534 -735.6 0.0 -919.5 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 86 2Z 0E1534 610.2 0.0 762.8 FIXEDHF 0.800 0 0.0 0 87 3Y 1D1524 1279.8 0.0 1599.8 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 88 3Y 2E1524 424.4 0.0 530.5 FIXEDHF 0.800 0 0.0 0 89 3Z 1D1534 -357.4 0.0 -446.8 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 90 3Z 0E1534 371.8 0.0 464.7 FIXEDHF 0.800 0 0.0 0 91 4Y 1D1524 846.2 0.0 1057.7 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 92 4Y 2E1524 290.5 0.0 363.1 FIXEDHF 0.800 0 0.0 0 93 4Z 1D1534 -222.1 0.0 -277.6 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 94 4Z 0E1534 257.3 0.0 321.6 FIXEDHF 0.800 0 0.0 0 95 5Y 1D1524 614.9 0.0 768.6 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 96 5Y 2E1524 215.3 0.0 269.1 FIXEDHF 0.800 0 0.0 0 97 5Z 1D1534 -155.5 0.0 -194.4 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 98 5Z 0E1534 191.8 0.0 239.7 FIXEDHF 0.800 0 0.0 0 99 6Y 1D1524 473.4 0.0 591.8 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 100 6Y 2E1524 167.9 0.0 209.9 FIXEDHF 0.800 0 0.0 0 101 6Z 1D1534 -116.9 0.0 -146.1 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 102 6Z 0E1534 150.1 0.0 187.6 FIXEDHF 0.800 0 0.0 0 103 7Y 1D1524 379.2 0.0 474.0 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 104 7Y 2E1524 135.8 0.0 169.7 FIXEDHF 0.800 0 0.0 0 105 7Z 1D1534 -92.0 0.0 -115.0 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 106 7Z 0E1534 121.6 0.0 152.0 FIXEDHF 0.800 0 0.0 0 107 8Y 1D1524 312.6 0.0 390.8 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 108 8Y 2E1524 112.7 0.0 140.9 FIXEDHF 0.800 0 0.0 0 109 8Z 1D1534 -74.9 0.0 -93.6 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 110 8Z 0E1534 101.1 0.0 126.4 FIXEDHF 0.800 0 0.0 0 111 9Y 1D1524 263.5 0.0 329.4 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 112 9Y 2E1524 95.6 0.0 119.5 FIXEDHF 0.800 0 0.0 0 113 9Z 1D1534 -62.5 0.0 -78.1 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 114 9Z 0E1534 85.8 0.0 107.2 FIXEDHF 0.800 0 0.0 0 115 AY 1D1524 226.0 0.0 282.5 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 116 AY 2E1524 82.3 0.0 102.9 FIXEDHF 0.800 0 0.0 0 117 AZ 1D1534 -53.1 0.0 -66.4 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 118 AZ 0E1534 74.0 0.0 92.5 FIXEDHF 0.800 0 0.0 0 119 BY 1D1524 196.6 0.0 245.7 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 120 BY 2E1524 71.9 0.0 89.9 FIXEDHF 0.800 0 0.0 0 121 BZ 1D1534 -45.9 0.0 -57.4 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 122 BZ 0E1534 64.6 0.0 80.8 FIXEDHF 0.800 0 0.0 0 123 CY 0D1114 1466.2 0.0 1832.7 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 124 CY 2D1114 6753.2 0.0 8441.5 FIXEDHF 0.800 0 0.0 0 125 CY 1D1224 -5182.8 0.0 -6478.5 FIXEDHF 0.800 0 0.0 0 126 CY 3D1224 -961.4 0.0 -1201.7 FIXEDHF 0.800 0 0.0 0 127 CY 0E1224 -140.2 0.0 -175.3 FIXEDHF 0.800 0 0.0 0 128 CY 2E1224 -80.1 0.0 -100.1 FIXEDHF 0.800 0 0.0 0 129 CZ 1D1234 2482.2 0.0 3102.7 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 130 CZ 2E1234 1086.6 0.0 1358.3 FIXEDHF 0.800 0 0.0 0 131 DY 1D1624 -2910.9 0.0 -3638.6 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 132 DY 3D1624 -621.1 0.0 -776.4 FIXEDHF 0.800 0 0.0 0 133 DY 0E1624 1089.4 0.0 1361.8 FIXEDHF 0.800 0 0.0 0 134 DY 2E1624 31.8 0.0 39.8 FIXEDHF 0.800 0 0.0 0 135 DZ 1D1634 1624.5 0.0 2030.6 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 136 DZ 2E1634 842.2 0.0 1052.8 FIXEDHF 0.800 0 0.0 0 137 EY 1D1624 -1849.8 0.0 -2312.3 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 138 EY 3D1624 -417.8 0.0 -522.2 FIXEDHF 0.800 0 0.0 0 139 EY 0E1624 879.0 0.0 1098.8 FIXEDHF 0.800 0 0.0 0 140 EY 2E1624 64.6 0.0 80.7 FIXEDHF 0.800 0 0.0 0 141 EZ 1D1634 1128.5 0.0 1410.6 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 142 EZ 2E1634 633.3 0.0 791.6 FIXEDHF 0.800 0 0.0 0 143 FY 1D1624 -1282.5 0.0 -1603.1 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 144 FY 3D1624 -298.6 0.0 -373.3 FIXEDHF 0.800 0 0.0 0 145 FY 0E1624 706.2 0.0 882.7 FIXEDHF 0.800 0 0.0 0 146 FY 2E1624 69.2 0.0 86.5 FIXEDHF 0.800 0 0.0 0 147 FZ 1D1634 830.3 0.0 1037.9 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 148 FZ 2E1634 487.7 0.0 609.6 FIXEDHF 0.800 0 0.0 0 149 GY 1D1624 -947.4 0.0 -1184.2 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 150 GY 3D1624 -224.9 0.0 -281.1 FIXEDHF 0.800 0 0.0 0 151 GY 0E1624 575.7 0.0 719.6 FIXEDHF 0.800 0 0.0 0 152 GY 2E1624 65.2 0.0 81.5 FIXEDHF 0.800 0 0.0 0 153 GZ 1D1634 639.8 0.0 799.7 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 154 GZ 2E1634 386.9 0.0 483.6 FIXEDHF 0.800 0 0.0 0 155 HY 1D1624 -733.2 0.0 -916.5 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 156 HY 3D1624 -176.4 0.0 -220.5 FIXEDHF 0.800 0 0.0 0 157 HY 0E1624 477.8 0.0 597.3 FIXEDHF 0.800 0 0.0 0 158 HY 2E1624 59.0 0.0 73.8 FIXEDHF 0.800 0 0.0 0 159 HZ 1D1634 510.9 0.0 638.6 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 160 HZ 2E1634 315.3 0.0 394.1 FIXEDHF 0.800 0 0.0 0 161 IY 1D1624 -587.8 0.0 -734.8 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 162 IY 3D1624 -142.9 0.0 -178.6 FIXEDHF 0.800 0 0.0 0 163 IY 0E1624 403.5 0.0 504.4 FIXEDHF 0.800 0 0.0 0 164 IY 2E1624 52.7 0.0 65.9 FIXEDHF 0.800 0 0.0 0 165 IZ 1D1634 419.5 0.0 524.4 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 166 IZ 2E1634 262.7 0.0 328.4 FIXEDHF 0.800 0 0.0 0 167 JY 1D1624 -484.2 0.0 -605.3 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 168 JY 3D1624 -118.6 0.0 -148.2 FIXEDHF 0.800 0 0.0 0 169 JY 0E1624 346.0 0.0 432.5 FIXEDHF 0.800 0 0.0 0 170 JY 2E1624 47.0 0.0 58.8 FIXEDHF 0.800 0 0.0 0 171 JZ 1D1634 352.2 0.0 440.2 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 172 JZ 2E1634 223.0 0.0 278.8 FIXEDHF 0.800 0 0.0 0 173 KY 1D1624 -407.5 0.0 -509.4 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 174 KY 3D1624 -100.4 0.0 -125.5 FIXEDHF 0.800 0 0.0 0 175 KY 0E1624 300.6 0.0 375.7 FIXEDHF 0.800 0 0.0 0 176 KY 2E1624 42.1 0.0 52.6 FIXEDHF 0.800 0 0.0 0 177 KZ 1D1634 300.9 0.0 376.1 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 178 KZ 2E1634 192.2 0.0 240.3 FIXEDHF 0.800 0 0.0 0 179 LY 1D1624 -349.0 0.0 -436.2 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 180 LY 3D1624 -86.5 0.0 -108.1 FIXEDHF 0.800 0 0.0 0 181 LY 0E1624 264.0 0.0 330.0 FIXEDHF 0.800 0 0.0 0 182 LY 2E1624 37.8 0.0 47.3 FIXEDHF 0.800 0 0.0 0 183 LZ 1D1634 260.9 0.0 326.1 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 184 LZ 2E1634 167.8 0.0 209.8 FIXEDHF 0.800 0 0.0 0 185 MY 1D1624 -303.1 0.0 -378.9 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 186 MY 3D1624 -75.4 0.0 -94.3 FIXEDHF 0.800 0 0.0 0 187 MY 0E1624 234.2 0.0 292.8 FIXEDHF 0.800 0 0.0 0 188 MY 2E1624 34.2 0.0 42.7 FIXEDHF 0.800 0 0.0 0 189 MZ 1D1634 229.0 0.0 286.2 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 190 MZ 2E1634 148.2 0.0 185.2 FIXEDHF 0.800 0 0.0 0 191 NY 1D1624 -266.3 0.0 -332.9 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 192 NY 3D1624 -66.5 0.0 -83.1 FIXEDHF 0.800 0 0.0 0 193 NY 0E1624 209.5 0.0 261.9 FIXEDHF 0.800 0 0.0 0 194 NY 2E1624 31.0 0.0 38.8 FIXEDHF 0.800 0 0.0 0 195 NZ 1D1634 203.0 0.0 253.8 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 196 NZ 2E1634 132.0 0.0 165.0 FIXEDHF 0.800 0 0.0 0 197 OY 1D1624 -236.4 0.0 -295.5 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 3d4p 198 OY 3D1624 -59.2 0.0 -74.0 FIXEDHF 0.800 0 0.0 0 199 OY 0E1624 188.9 0.0 236.1 FIXEDHF 0.800 0 0.0 0 200 OY 2E1624 28.3 0.0 35.4 FIXEDHF 0.800 0 0.0 0 201 OZ 1D1634 181.6 0.0 227.0 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 4s4p 202 OZ 2E1634 118.6 0.0 148.2 FIXEDHF 0.800 0 0.0 0 203 PY 1D1624 -211.7 0.0 -264.6 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 3d4p 204 PY 3D1624 -53.2 0.0 -66.5 FIXEDHF 0.800 0 0.0 0 205 PY 0E1624 171.3 0.0 214.1 FIXEDHF 0.800 0 0.0 0 206 PY 2E1624 25.9 0.0 32.4 FIXEDHF 0.800 0 0.0 0 207 PZ 1D1634 163.7 0.0 204.6 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 4s4p 208 PZ 2E1634 107.3 0.0 134.1 FIXEDHF 0.800 0 0.0 0 209 QY 3D1724 -22.5 0.0 -28.1 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 210 QY 2E1724 -6.4 0.0 -8.0 FIXEDHF 0.800 0 0.0 0 211 RY 3D1724 -22.9 0.0 -28.6 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 212 RY 2E1724 -6.6 0.0 -8.2 FIXEDHF 0.800 0 0.0 0 213 SY 3D1724 -20.7 0.0 -25.9 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 214 SY 2E1724 -6.0 0.0 -7.5 FIXEDHF 0.800 0 0.0 0 215 TY 3D1724 -18.3 0.0 -22.9 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 216 TY 2E1724 -5.4 0.0 -6.7 FIXEDHF 0.800 0 0.0 0 217 UY 3D1724 -16.2 0.0 -20.2 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 218 UY 2E1724 -4.7 0.0 -5.9 FIXEDHF 0.800 0 0.0 0 219 YZ 2D1213 -3147.8 0.0 -3934.8 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 220 YZ 1E1213 1751.3 0.0 2189.1 FIXEDHF 0.800 0 0.0 0 221 YZ 2D2434 -9741.8 0.0 -12177.3 FIXEDHF 0.800 0 0.0 0 222 YZ 1E2434 -10190.2 0.0 -12737.8 FIXEDHF 0.800 0 0.0 0 19.00 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 0.000 0.014 0.0 2.002 2.002 4s 2S 0.995 1(2S)2S 1 0.057 Z(3P)2S 28 0.054 Z(1P)2S 27 2 21026.551 21026.539 0.0 2.002 5s 2S -1.000 2(1S)2S 2 3 27450.710 27450.728 0.0 2.002 6s 2S 1.000 3(1S)2S 3 4 30274.249 30274.286 0.0 2.002 2.002 7s 2S -1.000 4(1S)2S 4 5 31765.377 31765.339 0.0 2.002 2.002 8s 2S -1.000 5(1S)2S 5 6 32648.351 32648.357 0.0 2.002 9s 2S -1.000 6(1S)2S 6 7 33214.227 33214.218 0.0 2.002 10s 2S -1.000 7(1S)2S 7 8 33598.560 33598.518 0.0 2.002 11s 2S -1.000 8(1S)2S 8 9 33871.479 33871.528 0.0 2.002 12s 2S 1.000 9(1S)2S 9 10 34072.239 34072.230 0.0 2.002 13s 2S -1.000 A(1S)2S 10 11 34224.211 34224.169 0.0 2.002 14s 2S -1.000 B(1S)2S 11 12 164998. 164789.521 -208.5 0.237 4s4p3P 4D -0.900 Z(3P)4D 23 0.268 Z(1P)2P 25 0.251 Z(3P)4P 24 13 166161.594 2.411 4s4p3P 4P 0.921 Z(3P)4P 24 0.275 Z(3P)4D 23 -0.244 Z(1P)2S 27 14 168378. 167277.617 0.668 4s4p3P 2P -0.769 Z(1P)2P 25 -0.523 Z(3P)2P 26 -0.290 Z(3P)4D 23 15 169359.504 2.014 0.879 Z(1P)2S 27 0.330 Y(3P)2S 22 0.274 Z(3P)4P 24 16 173934.133 0.628 0.809 Y(3P)2P 19 0.376 Y(3P)4D 12 0.317 Z(3P)2P 26 17 174341.494 0.120 -0.904 Y(3P)4D 12 0.323 Y(3P)2P 19 0.150 Z(3P)2P 26 18 175781.348 2.531 0.904 Y(3P)4P 15 0.289 Y(3P)2S 22 -0.282 Z(3P)2S 28 19 176278. 176278.148 0.1 2.040 4s4p1P 2S 0.624 Z(3P)2S 28 -0.596 Y(3P)2S 22 0.419 Y(3P)4P 15 20 180959.394 0.694 -0.639 Z(3P)2P 26 0.437 Y(3D)2P 20 0.426 Z(1P)2P 25 19.00 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 21536.988 21535.755 -1.2 0.800 3d 2D 0.996 C(2D)2D 1 0.044 D(1S)2D 2 0.040 Y(3F)2D 28 2 27398.147 27397.292 -0.9 0.800 4d 2D -0.998 D(1S)2D 2 0.047 C(2D)2D 1 3 30185.748 30185.240 -0.5 0.799 0.800 5d 2D 0.999 E(1S)2D 3 4 31696.166 31695.802 -0.4 0.799 0.800 6d 2D -0.999 F(1S)2D 4 5 32598.444 32598.266 -0.2 0.800 7d 2D -0.999 G(1S)2D 5 6 33178.232 33178.103 -0.1 0.800 8d 2D 0.999 H(1S)2D 6 7 33572.125 33572.011 -0.1 0.800 9d 2D -0.999 I(1S)2D 7 8 33851.642 33851.671 0.0 0.800 10d 2D -0.999 J(1S)2D 8 9 34057.039 34056.975 -0.1 0.800 11d 2D -0.999 K(1S)2D 9 10 34212.339 34212.343 0.0 0.800 12d 2D -0.999 L(1S)2D 10 11 34332.582 34332.529 -0.1 0.800 13d 2D -0.999 M(1S)2D 11 12 34427.567 34427.532 0.0 0.800 14d 2D 0.999 N(1S)2D 12 13 34503.897 34503.908 0.0 0.800 15d 2D -0.999 O(1S)2D 13 14 34566.152 34566.106 0.0 0.800 16d 2D -1.000 P(1S)2D 14 15 161473. 161586.505 113.5 1.989 4s4p3P 4S 0.964 Z(3P)4S 35 0.187 Y(3P)4S 22 -0.165 Z(3P)4P 34 16 164506. 164275.208 -230.8 1.190 4s4p3P 4D 0.878 Z(3P)4D 33 0.290 Z(1P)2D 36 -0.246 Z(3P)4P 34 17 165583.476 1.252 4s4p3P 4P 0.647 Z(3P)4P 34 0.580 Z(1P)2D 36 0.368 Z(3P)2D 37 18 166506. 166633.895 127.9 1.273 4s4p3P 2D 0.639 Z(3P)4P 34 -0.522 Z(1P)2D 36 0.426 Z(3P)4D 33 19 168515. 167822.148 1.367 4s4p3P 2P 0.763 Z(1P)2P 38 0.527 Z(3P)2P 39 -0.283 Z(3P)4P 34 20 173926.507 1.322 -0.826 Y(3P)2P 31 -0.402 Z(3P)2P 39 0.310 Z(1P)2P 38 J 1.5 21 174465.727 1.210 -0.962 Y(3P)4D 17 0.129 Z(3P)4D 33 -0.122 Y(3P)4P 20 22 175996.815 1.737 0.960 Y(3P)4P 20 0.230 Y(3P)4S 22 -0.109 Y(3P)4D 17 23 177775. 176882.105 0.825 4s4p1P 2D 0.573 Z(3P)2D 37 -0.521 Y(3F)2D 28 0.434 Y(3P)2D 26 24 177409.010 1.981 0.950 Y(3P)4S 22 -0.233 Y(3P)4P 20 -0.186 Z(3P)4S 35 25 178712.964 0.807 0.852 Y(3P)2D 26 -0.366 Z(3P)2D 37 -0.224 Y(3D)2D 27 26 180315. 180698.060 383.1 1.313 4s4p1P 2P 0.591 Z(3P)2P 39 -0.478 Y(3P)2P 31 -0.416 Y(3D)2P 32 27 181424.533 0.888 0.743 Y(3F)4D 19 -0.623 Y(3F)4F 16 0.176 Y(3D)4D 18 28 181920.711 0.718 -0.774 Y(3F)4F 16 -0.610 Y(3F)4D 19 0.081 Y(1D)2D 24 29 186745.455 0.804 0.753 Y(1D)2D 24 -0.400 Y(3F)2D 28 -0.354 Y(3D)2D 27 30 188438.665 0.452 0.956 Y(3D)4F 15 -0.205 Y(3D)4D 18 0.131 Y(1F)2D 25 19.00 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 21534.680 21535.971 1.3 1.200 3d 2D 0.996 C(2D)2D 1 0.045 D(1S)2D 2 0.040 Y(3F)2D 32 2 27397.077 27397.961 0.9 1.200 4d 2D -0.998 D(1S)2D 2 0.047 C(2D)2D 1 3 30185.244 30185.697 0.5 1.200 1.200 5d 2D 0.999 E(1S)2D 3 4 31695.901 31696.278 0.4 1.201 1.200 6d 2D -0.999 F(1S)2D 4 5 32598.288 32598.503 0.2 1.200 7d 2D -0.999 G(1S)2D 5 6 33178.134 33178.345 0.2 1.200 8d 2D -0.999 H(1S)2D 6 7 33572.059 33572.255 0.2 1.200 9d 2D -0.999 I(1S)2D 7 8 33851.596 33851.667 0.1 1.200 10d 2D 0.999 J(1S)2D 8 9 34057.005 34056.972 0.0 1.200 11d 2D 0.999 K(1S)2D 9 10 34212.314 34212.341 0.0 1.200 12d 2D 0.999 L(1S)2D 10 11 34332.563 34332.528 0.0 1.200 13d 2D 0.999 M(1S)2D 11 12 34427.551 34427.531 0.0 1.200 14d 2D -0.999 N(1S)2D 12 13 34503.884 34503.907 0.0 1.200 15d 2D 0.999 O(1S)2D 13 14 34566.142 34566.105 0.0 1.200 16d 2D 1.000 P(1S)2D 14 15 163838.973 1.373 4s4p3P 4D -0.922 Z(3P)4D 33 0.238 Z(3P)4P 34 -0.221 Z(1P)2D 35 16 165230.218 1.517 4s4p3P 4P 0.884 Z(3P)4P 34 0.378 Z(1P)2D 35 0.244 Z(3P)2D 36 17 166950. 167146.440 196.4 1.284 4s4p3P 2D 0.705 Z(1P)2D 35 0.469 Z(3P)2D 36 -0.395 Z(3P)4P 34 18 174760.310 1.374 0.969 Y(3P)4D 18 0.129 Y(3P)4P 21 -0.124 Z(3P)4D 33 19 175815. 175497.442 -317.6 1.201 4s4p1P 2D 0.664 Z(3P)2D 36 -0.528 Y(3F)2D 32 -0.446 Z(1P)2D 35 20 176383.388 1.593 -0.985 Y(3P)4P 21 0.125 Y(3P)4D 18 0.074 Y(3P)2D 30 J 2.5 21 178625.838 1.194 0.908 Y(3P)2D 30 -0.261 Y(3D)2D 31 -0.192 Z(3P)2D 36 22 179977.320 0.596 0.964 Y(3F)4G 15 -0.178 Y(3F)2F 26 -0.157 Y(3F)4F 17 23 180662.910 0.872 -0.893 Y(3F)2F 26 -0.326 Y(3F)4F 17 -0.227 Y(3F)4G 15 24 180953.357 1.258 -0.799 Y(3F)4D 20 0.491 Y(3F)4F 17 -0.233 Y(3F)2F 26 25 181669.264 1.120 -0.782 Y(3F)4F 17 -0.540 Y(3F)4D 20 0.255 Y(3F)2F 26 26 186622.350 1.194 -0.707 Y(1D)2D 28 0.419 Y(3F)2D 32 0.332 Y(3D)2D 31 27 188091.164 0.998 -0.711 Y(3D)4F 16 -0.493 Y(1D)2F 23 0.301 Y(1F)2F 24 28 188401.740 1.145 -0.666 Y(3D)4D 19 -0.458 Y(1D)2F 23 -0.309 Y(3D)2F 25 29 188705.874 0.991 0.686 Y(3D)4F 16 -0.567 Y(1D)2F 23 0.289 Y(3D)4D 19 30 189183.562 0.957 0.848 Y(1F)2F 24 -0.378 Y(3D)4D 19 0.254 Y(3D)2F 25 31 189528.200 1.305 -0.469 Y(1F)2D 29 -0.442 Y(3D)4D 19 -0.425 Y(3F)2D 32 32 190619.974 1.515 -0.884 Y(3D)4P 22 -0.311 Y(3D)2D 31 0.228 Y(1F)2D 29 33 192712.561 1.194 -0.669 Y(1D)2D 28 -0.525 Y(3F)2D 32 -0.318 Z(3P)2D 36 34 193317.463 0.877 0.821 Y(3D)2F 25 -0.440 Y(1D)2F 23 -0.247 Y(1F)2F 24 35 195399.289 1.193 0.665 Y(3D)2D 31 0.643 Y(1F)2D 29 -0.208 Z(3P)2D 36 36 229405.588 1.200 0.997 Y(1P)2D 27 -0.044 Z(1P)2D 35 0.031 Y(3F)2D 32 19.00 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 30617.31 30617.300 0.0 0.889 5g 2G 1.000 Q(1S)2G 1 2 31959.62 P 31959.600 0.0 0.889 6g 2G -1.000 R(1S)2G 2 3 32768.97 P 32769.000 0.0 0.889 7g 2G -1.000 S(1S)2G 3 4 33294.24 P 33294.200 0.0 0.889 8g 2G -1.000 T(1S)2G 4 5 33654.36 P 33654.400 0.0 0.889 9g 2G 1.000 U(1S)2G 5 6 163477.199 1.430 0.988 Z(3P)4D 18 0.113 Y(3F)4D 11 0.100 Y(3P)4D 9 7 175243.670 1.428 0.979 Y(3P)4D 9 0.144 Y(3F)4D 11 -0.114 Z(3P)4D 18 8 179416.557 1.093 0.766 Y(3F)2F 17 -0.577 Y(3F)4G 6 0.227 Y(3F)4F 8 9 179593.142 1.042 0.785 Y(3F)4G 6 0.587 Y(3F)2F 17 -0.102 Y(3D)2F 16 10 180405.299 1.377 0.832 Y(3F)4D 11 -0.493 Y(3F)4F 8 0.151 Y(3D)4D 10 11 181114.613 1.280 -0.831 Y(3F)4F 8 -0.500 Y(3F)4D 11 0.159 Y(3F)2F 17 12 183134.270 0.895 0.917 Y(3F)2G 13 0.351 Y(1F)2G 12 -0.148 Y(3F)4G 6 13 187960.398 1.289 0.651 Y(3D)4F 7 -0.606 Y(3D)4D 10 -0.377 Y(1F)2F 15 14 188185.607 1.264 0.575 Y(3D)4D 10 0.565 Y(3D)4F 7 0.359 Y(1D)2F 14 15 188889.328 1.179 -0.749 Y(1D)2F 14 0.473 Y(3D)4F 7 -0.399 Y(3D)2F 16 16 189390.016 1.194 0.770 Y(1F)2F 15 -0.469 Y(3D)4D 10 0.227 Y(3D)2F 16 17 189998.762 0.927 -0.875 Y(1F)2G 12 0.315 Y(3F)2G 13 0.273 Y(1F)2F 15 18 193110.529 1.129 0.816 Y(3D)2F 16 -0.421 Y(1D)2F 14 -0.292 Y(1F)2F 15 19.00 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 30617.31 30617.300 0.0 1.111 5g 2G 1.000 Q(1S)2G 1 2 31959.62 P 31959.600 0.0 1.111 6g 2G -1.000 R(1S)2G 2 3 32768.97 P 32769.000 0.0 1.111 7g 2G 1.000 S(1S)2G 3 4 33294.24 P 33294.200 0.0 1.111 8g 2G 1.000 T(1S)2G 4 5 33654.36 P 33654.400 0.0 1.111 9g 2G -1.000 U(1S)2G 5 6 179054.772 1.174 -0.978 Y(3F)4G 6 0.134 Y(3F)4F 8 -0.127 Y(3F)2G 10 7 180321.987 1.330 -0.988 Y(3F)4F 8 -0.121 Y(3F)4G 6 -0.068 Y(3F)2G 10 8 182713.814 1.116 -0.962 Y(3F)2G 10 -0.203 Y(1F)2G 9 0.144 Y(3F)4G 6 9 187905.254 1.310 -0.942 Y(3D)4F 7 -0.291 Y(1F)2G 9 0.155 Y(3F)2G 10 10 189702.929 1.134 -0.930 Y(1F)2G 9 0.312 Y(3D)4F 7 0.175 Y(3F)2G 10 19.00 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 32770.10 P 32770.100 0.0 0.923 7i 2I 1.000 V(1S)2I 1 2 33295.03 P 33295.000 0.0 0.923 8i 2I 1.000 W(1S)2I 2 3 33654.92 P 33654.900 0.0 0.923 9i 2I 1.000 X(1S)2I 3 4 178608.745 1.273 1.000 Y(3F)4G 4 19.00 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 32770.10 P 32770.100 0.0 1.077 7i 2I 1.000 V(1S)2I 1 2 33295.03 P 33295.000 0.0 1.077 8i 2I 1.000 W(1S)2I 2 3 33654.92 P 33654.900 0.0 1.077 9i 2I 1.000 X(1S)2I 3 19.00 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 3p6 4s 1 1 EAV 1692.1 124.7 0.0 1692.1 0.0 0.000 1.000 0 0.0 0 3p6 5s 2 2 EAV 21076.2 123.6 0.0 21076.2 21569.4 0.000 1.000 0 0.0 0 3p6 6s 3 3 EAV 27467.2 123.6 0.0 27467.2 28000.6 0.000 1.000 0 0.0 0 3p6 7s 4 4 EAV 30281.8 123.6 0.0 30281.8 30821.6 0.000 1.000 0 0.0 0 3p6 8s 5 5 EAV 31769.4 123.6 0.0 31769.4 32310.8 0.000 1.000 0 0.0 0 3p6 9s 6 6 EAV 32650.8 123.6 0.0 32650.8 33192.8 0.000 1.000 0 0.0 0 3p6 10s 7 7 EAV 33215.8 123.6 0.0 33215.8 33757.7 0.000 1.000 0 0.0 0 3p6 11s 8 8 EAV 33599.6 123.6 0.0 33599.6 34141.6 0.000 1.000 0 0.0 0 3p6 12s 9 9 EAV 33872.3 123.6 0.0 33872.3 34414.4 0.000 1.000 0 0.0 0 3p6 13s 10 A EAV 34072.8 123.6 0.0 34072.8 34615.1 0.000 1.000 0 0.0 0 3p6 14s 11 B EAV 34224.6 123.6 0.0 34224.6 34767.0 0.000 1.000 0 0.0 0 3p6 3d 12 C EAV 22444.4 88.1 0.0 22444.4 22125.1 0.000 1.000 0 0.0 0 13 C ZETA 2 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 3p6 4d 14 D EAV 27472.1 87.6 0.0 27472.1 27969.1 0.000 1.000 0 0.0 0 15 D ZETA 6 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 3p6 5d 16 E EAV 30228.4 87.5 0.0 30228.4 30751.9 0.000 1.000 0 0.0 0 17 E ZETA 6 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 3p6 6d 18 F EAV 31721.8 87.5 0.0 31721.8 32257.5 0.000 1.000 0 0.0 0 19 F ZETA 6 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 3p6 7d 20 G EAV 32614.7 87.5 0.0 32614.7 33155.4 0.000 1.000 0 0.0 0 21 G ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 8d 22 H EAV 33189.1 87.5 0.0 33189.1 33731.3 0.000 1.000 0 0.0 0 23 H ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 9d 24 I EAV 33579.7 87.5 0.0 33579.7 34122.8 0.000 1.000 0 0.0 0 25 I ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 10d 26 J EAV 33857.1 87.5 0.0 33857.1 34400.5 0.000 1.000 0 0.0 0 27 J ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 11d 28 K EAV 34061.0 87.5 0.0 34061.0 34604.5 0.000 1.000 0 0.0 0 29 K ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 12d 30 L EAV 34215.4 87.5 0.0 34215.4 34758.7 0.000 1.000 0 0.0 0 31 L ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 13d 32 M EAV 34334.9 87.5 0.0 34334.9 34878.1 0.000 1.000 0 0.0 0 33 M ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 14d 34 N EAV 34429.4 87.5 0.0 34429.4 34972.5 0.000 1.000 0 0.0 0 35 N ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 15d 36 O EAV 34505.4 87.5 0.0 34505.4 35048.3 0.000 1.000 0 0.0 0 37 O ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 16d 38 P EAV 34567.3 87.4 0.0 34567.3 35110.1 0.000 1.000 0 0.0 0 39 P ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 5g 40 Q EAV 30617.3 87.4 0.0 30617.3 31161.8 0.000 1.000 0 -546.0 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 6g 42 R EAV 31959.6 87.4 0.0 31959.6 32503.1 0.000 1.000 0 -546.0 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 7g 44 S EAV 32769.0 87.4 0.0 32769.0 33311.9 0.000 1.000 0 -546.0 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 8g 46 T EAV 33294.2 87.4 0.0 33294.2 33836.8 0.000 1.000 0 -546.0 0 47 T ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 9g 48 U EAV 33654.4 87.4 0.0 33654.4 34196.9 0.000 1.000 0 -546.0 0 49 U ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 7i 50 V EAV 32770.1 87.4 0.0 32770.1 33312.2 0.000 1.000 0 -546.0 0 51 V ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 8i 52 W EAV 33295.0 87.4 0.0 33295.0 33837.1 0.000 1.000 0 -546.0 0 53 W ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 9i 54 X EAV 33654.9 87.4 0.0 33654.9 34196.9 0.000 1.000 0 -546.0 0 55 X ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 56 Y EAV 186682.2 0.0 0.0 186682.2 186682.2 0.000 FIXEDHF 1.000 0 0.0 0 57 Y ZETA 1 1447.7 0.0 0.0 1447.7 1447.7 1.000 FIXEDHF 1.000 0 0.0 0 58 Y ZETA 2 20.2 0.0 0.0 20.2 20.2 1.000 FIXEDHF 1.000 0 0.0 0 59 Y ZETA 4 59.2 0.0 0.0 59.2 59.2 1.000 FIXEDHF 1.000 0 0.0 0 60 Y F2(12) 32772.4 0.0 0.0 32772.4 40965.5 0.800 FIXEDHF 0.800 0 0.0 0 61 Y F2(14) 4383.5 0.0 0.0 4383.5 5479.4 0.800 FIXEDHF 0.800 0 0.0 0 62 Y F2(24) 8577.3 0.0 0.0 8577.3 10721.6 0.800 FIXEDHF 0.800 0 0.0 0 63 Y G1(12) 39355.1 0.0 0.0 39355.1 49193.9 0.800 FIXEDHF 0.800 0 0.0 0 64 Y G3(12) 23060.2 0.0 0.0 23060.2 28825.2 0.800 FIXEDHF 0.800 0 0.0 0 65 Y G0(14) 1557.4 0.0 0.0 1557.4 1946.8 0.800 FIXEDHF 0.800 0 0.0 0 66 Y G2(14) 1358.2 0.0 0.0 1358.2 1697.8 0.800 FIXEDHF 0.800 0 0.0 0 67 Y G1(24) 6022.0 0.0 0.0 6022.0 7527.5 0.800 FIXEDHF 0.800 0 0.0 0 68 Y G3(24) 4179.3 0.0 0.0 4179.3 5224.1 0.800 FIXEDHF 0.800 0 0.0 0 3p5 4s4p 69 Z EAV 169604.3 52.0 0.0 169604.3 166702.5 0.000 1.000 0 0.0 0 70 Z ZETA 1 1422.0 0.0 0.0 1422.0 1496.8 0.950 FIXEDHF 0.950 0 0.0 0 71 Z ZETA 4 87.7 0.0 0.0 87.7 87.7 1.000 FIXEDHF 1.000 0 0.0 0 72 Z F2(14) 5935.2 0.0 0.0 5935.2 7419.0 0.800 FIXEDHF 0.800 0 0.0 0 73 Z G1(13) 3289.0 0.0 0.0 3289.0 4111.2 0.800 FIXEDHF 0.800 0 0.0 0 74 Z G0(14) 1330.6 58.1 0.0 1330.6 2572.4 0.517 0.800 0 0.0 0 75 Z G2(14) 1177.5 0.0 0.0 1177.5 2354.9 0.500 FIXEDHF 0.500 0 0.0 0 76 Z G1(34) 24168.1 240.3 0.0 24168.1 23619.6 1.023 0.800 0 0.0 0 3p6 4s -3p5 3d4p 77 1Y 1D1324 10864.2 0.0 0.0 10864.2 13580.3 0.800 FIXEDHF 0.800 0 0.0 0 78 1Y 2E1324 1756.6 0.0 0.0 1756.6 2195.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 79 1Z 0D1114 1625.1 0.0 0.0 1625.1 2031.4 0.800 FIXEDHF 0.800 0 0.0 0 80 1Z 2D1114 7283.5 0.0 0.0 7283.5 9104.4 0.800 FIXEDHF 0.800 0 0.0 0 81 1Z 1D1334 -3906.6 0.0 0.0 -3906.6 -4883.3 0.800 FIXEDHF 0.800 0 0.0 0 82 1Z 0E1334 -556.2 0.0 0.0 -556.2 -695.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 83 2Y 1D1524 2329.6 0.0 0.0 2329.6 2912.0 0.800 FIXEDHF 0.800 0 0.0 0 84 2Y 2E1524 716.2 0.0 0.0 716.2 895.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 85 2Z 1D1534 -735.6 0.0 0.0 -735.6 -919.5 0.800 FIXEDHF 0.800 0 0.0 0 86 2Z 0E1534 610.2 0.0 0.0 610.2 762.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 87 3Y 1D1524 1279.8 0.0 0.0 1279.8 1599.8 0.800 FIXEDHF 0.800 0 0.0 0 88 3Y 2E1524 424.4 0.0 0.0 424.4 530.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 89 3Z 1D1534 -357.4 0.0 0.0 -357.4 -446.8 0.800 FIXEDHF 0.800 0 0.0 0 90 3Z 0E1534 371.8 0.0 0.0 371.8 464.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 91 4Y 1D1524 846.2 0.0 0.0 846.2 1057.7 0.800 FIXEDHF 0.800 0 0.0 0 92 4Y 2E1524 290.5 0.0 0.0 290.5 363.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 93 4Z 1D1534 -222.1 0.0 0.0 -222.1 -277.6 0.800 FIXEDHF 0.800 0 0.0 0 94 4Z 0E1534 257.3 0.0 0.0 257.3 321.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 95 5Y 1D1524 614.9 0.0 0.0 614.9 768.6 0.800 FIXEDHF 0.800 0 0.0 0 96 5Y 2E1524 215.3 0.0 0.0 215.3 269.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 97 5Z 1D1534 -155.5 0.0 0.0 -155.5 -194.4 0.800 FIXEDHF 0.800 0 0.0 0 98 5Z 0E1534 191.8 0.0 0.0 191.8 239.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 99 6Y 1D1524 473.4 0.0 0.0 473.4 591.8 0.800 FIXEDHF 0.800 0 0.0 0 100 6Y 2E1524 167.9 0.0 0.0 167.9 209.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 101 6Z 1D1534 -116.9 0.0 0.0 -116.9 -146.1 0.800 FIXEDHF 0.800 0 0.0 0 102 6Z 0E1534 150.1 0.0 0.0 150.1 187.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 103 7Y 1D1524 379.2 0.0 0.0 379.2 474.0 0.800 FIXEDHF 0.800 0 0.0 0 104 7Y 2E1524 135.8 0.0 0.0 135.8 169.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 105 7Z 1D1534 -92.0 0.0 0.0 -92.0 -115.0 0.800 FIXEDHF 0.800 0 0.0 0 106 7Z 0E1534 121.6 0.0 0.0 121.6 152.0 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 107 8Y 1D1524 312.6 0.0 0.0 312.6 390.8 0.800 FIXEDHF 0.800 0 0.0 0 108 8Y 2E1524 112.7 0.0 0.0 112.7 140.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 109 8Z 1D1534 -74.9 0.0 0.0 -74.9 -93.6 0.800 FIXEDHF 0.800 0 0.0 0 110 8Z 0E1534 101.1 0.0 0.0 101.1 126.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 111 9Y 1D1524 263.5 0.0 0.0 263.5 329.4 0.800 FIXEDHF 0.800 0 0.0 0 112 9Y 2E1524 95.6 0.0 0.0 95.6 119.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 113 9Z 1D1534 -62.5 0.0 0.0 -62.5 -78.1 0.800 FIXEDHF 0.800 0 0.0 0 114 9Z 0E1534 85.8 0.0 0.0 85.8 107.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 115 AY 1D1524 226.0 0.0 0.0 226.0 282.5 0.800 FIXEDHF 0.800 0 0.0 0 116 AY 2E1524 82.3 0.0 0.0 82.3 102.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 117 AZ 1D1534 -53.1 0.0 0.0 -53.1 -66.4 0.800 FIXEDHF 0.800 0 0.0 0 118 AZ 0E1534 74.0 0.0 0.0 74.0 92.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 119 BY 1D1524 196.6 0.0 0.0 196.6 245.7 0.800 FIXEDHF 0.800 0 0.0 0 120 BY 2E1524 71.9 0.0 0.0 71.9 89.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 121 BZ 1D1534 -45.9 0.0 0.0 -45.9 -57.4 0.800 FIXEDHF 0.800 0 0.0 0 122 BZ 0E1534 64.6 0.0 0.0 64.6 80.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 123 CY 0D1114 1466.2 0.0 0.0 1466.2 1832.7 0.800 FIXEDHF 0.800 0 0.0 0 124 CY 2D1114 6753.2 0.0 0.0 6753.2 8441.5 0.800 FIXEDHF 0.800 0 0.0 0 125 CY 1D1224 -5182.8 0.0 0.0 -5182.8 -6478.5 0.800 FIXEDHF 0.800 0 0.0 0 126 CY 3D1224 -961.4 0.0 0.0 -961.4 -1201.7 0.800 FIXEDHF 0.800 0 0.0 0 127 CY 0E1224 -140.2 0.0 0.0 -140.2 -175.3 0.800 FIXEDHF 0.800 0 0.0 0 128 CY 2E1224 -80.1 0.0 0.0 -80.1 -100.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 129 CZ 1D1234 2482.2 0.0 0.0 2482.2 3102.7 0.800 FIXEDHF 0.800 0 0.0 0 130 CZ 2E1234 1086.6 0.0 0.0 1086.6 1358.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 131 DY 1D1624 -2910.9 0.0 0.0 -2910.9 -3638.6 0.800 FIXEDHF 0.800 0 0.0 0 132 DY 3D1624 -621.1 0.0 0.0 -621.1 -776.4 0.800 FIXEDHF 0.800 0 0.0 0 133 DY 0E1624 1089.4 0.0 0.0 1089.4 1361.8 0.800 FIXEDHF 0.800 0 0.0 0 134 DY 2E1624 31.8 0.0 0.0 31.8 39.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 135 DZ 1D1634 1624.5 0.0 0.0 1624.5 2030.6 0.800 FIXEDHF 0.800 0 0.0 0 136 DZ 2E1634 842.2 0.0 0.0 842.2 1052.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 137 EY 1D1624 -1849.8 0.0 0.0 -1849.8 -2312.3 0.800 FIXEDHF 0.800 0 0.0 0 138 EY 3D1624 -417.8 0.0 0.0 -417.8 -522.2 0.800 FIXEDHF 0.800 0 0.0 0 139 EY 0E1624 879.0 0.0 0.0 879.0 1098.8 0.800 FIXEDHF 0.800 0 0.0 0 140 EY 2E1624 64.6 0.0 0.0 64.6 80.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 141 EZ 1D1634 1128.5 0.0 0.0 1128.5 1410.6 0.800 FIXEDHF 0.800 0 0.0 0 142 EZ 2E1634 633.3 0.0 0.0 633.3 791.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 143 FY 1D1624 -1282.5 0.0 0.0 -1282.5 -1603.1 0.800 FIXEDHF 0.800 0 0.0 0 144 FY 3D1624 -298.6 0.0 0.0 -298.6 -373.3 0.800 FIXEDHF 0.800 0 0.0 0 145 FY 0E1624 706.2 0.0 0.0 706.2 882.7 0.800 FIXEDHF 0.800 0 0.0 0 146 FY 2E1624 69.2 0.0 0.0 69.2 86.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 147 FZ 1D1634 830.3 0.0 0.0 830.3 1037.9 0.800 FIXEDHF 0.800 0 0.0 0 148 FZ 2E1634 487.7 0.0 0.0 487.7 609.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 149 GY 1D1624 -947.4 0.0 0.0 -947.4 -1184.2 0.800 FIXEDHF 0.800 0 0.0 0 150 GY 3D1624 -224.9 0.0 0.0 -224.9 -281.1 0.800 FIXEDHF 0.800 0 0.0 0 151 GY 0E1624 575.7 0.0 0.0 575.7 719.6 0.800 FIXEDHF 0.800 0 0.0 0 152 GY 2E1624 65.2 0.0 0.0 65.2 81.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 153 GZ 1D1634 639.8 0.0 0.0 639.8 799.7 0.800 FIXEDHF 0.800 0 0.0 0 154 GZ 2E1634 386.9 0.0 0.0 386.9 483.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 155 HY 1D1624 -733.2 0.0 0.0 -733.2 -916.5 0.800 FIXEDHF 0.800 0 0.0 0 156 HY 3D1624 -176.4 0.0 0.0 -176.4 -220.5 0.800 FIXEDHF 0.800 0 0.0 0 157 HY 0E1624 477.8 0.0 0.0 477.8 597.3 0.800 FIXEDHF 0.800 0 0.0 0 158 HY 2E1624 59.0 0.0 0.0 59.0 73.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 159 HZ 1D1634 510.9 0.0 0.0 510.9 638.6 0.800 FIXEDHF 0.800 0 0.0 0 160 HZ 2E1634 315.3 0.0 0.0 315.3 394.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 161 IY 1D1624 -587.8 0.0 0.0 -587.8 -734.8 0.800 FIXEDHF 0.800 0 0.0 0 162 IY 3D1624 -142.9 0.0 0.0 -142.9 -178.6 0.800 FIXEDHF 0.800 0 0.0 0 163 IY 0E1624 403.5 0.0 0.0 403.5 504.4 0.800 FIXEDHF 0.800 0 0.0 0 164 IY 2E1624 52.7 0.0 0.0 52.7 65.9 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 165 IZ 1D1634 419.5 0.0 0.0 419.5 524.4 0.800 FIXEDHF 0.800 0 0.0 0 166 IZ 2E1634 262.7 0.0 0.0 262.7 328.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 167 JY 1D1624 -484.2 0.0 0.0 -484.2 -605.3 0.800 FIXEDHF 0.800 0 0.0 0 168 JY 3D1624 -118.6 0.0 0.0 -118.6 -148.2 0.800 FIXEDHF 0.800 0 0.0 0 169 JY 0E1624 346.0 0.0 0.0 346.0 432.5 0.800 FIXEDHF 0.800 0 0.0 0 170 JY 2E1624 47.0 0.0 0.0 47.0 58.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 171 JZ 1D1634 352.2 0.0 0.0 352.2 440.2 0.800 FIXEDHF 0.800 0 0.0 0 172 JZ 2E1634 223.0 0.0 0.0 223.0 278.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 173 KY 1D1624 -407.5 0.0 0.0 -407.5 -509.4 0.800 FIXEDHF 0.800 0 0.0 0 174 KY 3D1624 -100.4 0.0 0.0 -100.4 -125.5 0.800 FIXEDHF 0.800 0 0.0 0 175 KY 0E1624 300.6 0.0 0.0 300.6 375.7 0.800 FIXEDHF 0.800 0 0.0 0 176 KY 2E1624 42.1 0.0 0.0 42.1 52.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 177 KZ 1D1634 300.9 0.0 0.0 300.9 376.1 0.800 FIXEDHF 0.800 0 0.0 0 178 KZ 2E1634 192.2 0.0 0.0 192.2 240.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 179 LY 1D1624 -349.0 0.0 0.0 -349.0 -436.2 0.800 FIXEDHF 0.800 0 0.0 0 180 LY 3D1624 -86.5 0.0 0.0 -86.5 -108.1 0.800 FIXEDHF 0.800 0 0.0 0 181 LY 0E1624 264.0 0.0 0.0 264.0 330.0 0.800 FIXEDHF 0.800 0 0.0 0 182 LY 2E1624 37.8 0.0 0.0 37.8 47.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 183 LZ 1D1634 260.9 0.0 0.0 260.9 326.1 0.800 FIXEDHF 0.800 0 0.0 0 184 LZ 2E1634 167.8 0.0 0.0 167.8 209.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 185 MY 1D1624 -303.1 0.0 0.0 -303.1 -378.9 0.800 FIXEDHF 0.800 0 0.0 0 186 MY 3D1624 -75.4 0.0 0.0 -75.4 -94.3 0.800 FIXEDHF 0.800 0 0.0 0 187 MY 0E1624 234.2 0.0 0.0 234.2 292.8 0.800 FIXEDHF 0.800 0 0.0 0 188 MY 2E1624 34.2 0.0 0.0 34.2 42.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 189 MZ 1D1634 229.0 0.0 0.0 229.0 286.2 0.800 FIXEDHF 0.800 0 0.0 0 190 MZ 2E1634 148.2 0.0 0.0 148.2 185.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 191 NY 1D1624 -266.3 0.0 0.0 -266.3 -332.9 0.800 FIXEDHF 0.800 0 0.0 0 192 NY 3D1624 -66.5 0.0 0.0 -66.5 -83.1 0.800 FIXEDHF 0.800 0 0.0 0 193 NY 0E1624 209.5 0.0 0.0 209.5 261.9 0.800 FIXEDHF 0.800 0 0.0 0 194 NY 2E1624 31.0 0.0 0.0 31.0 38.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 195 NZ 1D1634 203.0 0.0 0.0 203.0 253.8 0.800 FIXEDHF 0.800 0 0.0 0 196 NZ 2E1634 132.0 0.0 0.0 132.0 165.0 0.800 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 3d4p 197 OY 1D1624 -236.4 0.0 0.0 -236.4 -295.5 0.800 FIXEDHF 0.800 0 0.0 0 198 OY 3D1624 -59.2 0.0 0.0 -59.2 -74.0 0.800 FIXEDHF 0.800 0 0.0 0 199 OY 0E1624 188.9 0.0 0.0 188.9 236.1 0.800 FIXEDHF 0.800 0 0.0 0 200 OY 2E1624 28.3 0.0 0.0 28.3 35.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 15d -3p5 4s4p 201 OZ 1D1634 181.6 0.0 0.0 181.6 227.0 0.800 FIXEDHF 0.800 0 0.0 0 202 OZ 2E1634 118.6 0.0 0.0 118.6 148.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 3d4p 203 PY 1D1624 -211.7 0.0 0.0 -211.7 -264.6 0.800 FIXEDHF 0.800 0 0.0 0 204 PY 3D1624 -53.2 0.0 0.0 -53.2 -66.5 0.800 FIXEDHF 0.800 0 0.0 0 205 PY 0E1624 171.3 0.0 0.0 171.3 214.1 0.800 FIXEDHF 0.800 0 0.0 0 206 PY 2E1624 25.9 0.0 0.0 25.9 32.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 16d -3p5 4s4p 207 PZ 1D1634 163.7 0.0 0.0 163.7 204.6 0.800 FIXEDHF 0.800 0 0.0 0 208 PZ 2E1634 107.3 0.0 0.0 107.3 134.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 209 QY 3D1724 -22.5 0.0 0.0 -22.5 -28.1 0.800 FIXEDHF 0.800 0 0.0 0 210 QY 2E1724 -6.4 0.0 0.0 -6.4 -8.0 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 211 RY 3D1724 -22.9 0.0 0.0 -22.9 -28.6 0.800 FIXEDHF 0.800 0 0.0 0 212 RY 2E1724 -6.6 0.0 0.0 -6.6 -8.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 213 SY 3D1724 -20.7 0.0 0.0 -20.7 -25.9 0.800 FIXEDHF 0.800 0 0.0 0 214 SY 2E1724 -6.0 0.0 0.0 -6.0 -7.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 215 TY 3D1724 -18.3 0.0 0.0 -18.3 -22.9 0.800 FIXEDHF 0.800 0 0.0 0 216 TY 2E1724 -5.4 0.0 0.0 -5.4 -6.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 217 UY 3D1724 -16.2 0.0 0.0 -16.2 -20.2 0.800 FIXEDHF 0.800 0 0.0 0 218 UY 2E1724 -4.7 0.0 0.0 -4.7 -5.9 0.800 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 219 YZ 2D1213 -3147.8 0.0 0.0 -3147.8 -3934.8 0.800 FIXEDHF 0.800 0 0.0 0 220 YZ 1E1213 1751.3 0.0 0.0 1751.3 2189.1 0.800 FIXEDHF 0.800 0 0.0 0 221 YZ 2D2434 -9741.8 0.0 0.0 -9741.8 -12177.3 0.800 FIXEDHF 0.800 0 0.0 0 222 YZ 1E2434 -10190.2 0.0 0.0 -10190.2 -12737.8 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 123.5 36 FREE ITERATION 1 KURUCZ job terminated at 19-AUG-2012 19:25:33.81 Accounting information: Buffered I/O count: 170 Peak working set size: 9632 Direct I/O count: 317 Peak virtual size: 322544 Page faults: 2049 Mounted volumes: 0 Charged CPU time: 0 00:00:00.27 Elapsed time: 0 00:00:03.92