$ 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 2304 $SET VERIFY=NOIMAGE $ASSIGN B2304E.PUN FOR007 $ASSIGN H2304E.HAM FOR001 $ASSIGN EAV2304E.DAT FOR066 $ASSIGN B2304E.EIG FOR003 $ASSIGN POOLG:B2304E15 FOR015 $ASSIGN POOLG:B2304E16 FOR016 $RUN CRAY:LEAST3007 NPAR 206 NJ 7 FIRSTJ 0.5 1 p 6 d 1 s 0 p 0 d 0 s 0 g 0 i 0 2 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 3 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 4 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 5 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 6 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 7 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 8 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 9 p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 A p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 B p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 C p 6 d 0 s 0 p 0 d 1 s 0 g 0 i 0 D p 6 d 0 s 1 p 0 d 0 s 0 g 0 i 0 E p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 F p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 G p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 H p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 I p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 J p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 K p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 L p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 M p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 N p 6 d 0 s 0 p 0 d 0 s 1 g 0 i 0 O p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 P p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 Q p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 R p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 S p 6 d 0 s 0 p 0 d 0 s 0 g 1 i 0 T p 6 d 0 s 0 p 0 d 0 s 0 g 0 i 1 U p 6 d 0 s 0 p 0 d 0 s 0 g 0 i 1 V p 6 d 0 s 0 p 0 d 0 s 0 g 0 i 1 W p 5 d 1 s 0 p 1 d 0 s 0 g 0 i 0 X p 5 d 0 s 1 p 1 d 0 s 0 g 0 i 0 LS STATES FOR LOWEST CONFIGURATION 1.5 1(2D)2D 1 2.5 1(2D)2D 1 TOTAL 2 28 37 34 18 10 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 134 37 1 0 28 65 99 117 127 131 134 134 134 134 134 134 134 134 134 134 134 134 134 134 134 134 0 1 Sugar, J. and Corliss, C. 1985. J. Phys. Chem. Ref. Data 15, Suppl. 2, 1-664. 2 3 4 5 6 7 8 9 0 0 0 0 0.300 1.300 2 1.0 20 40 40 30 30 20 10 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1.0 20 37 34 18 10 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23.04 3p6 3d 3p6 4d 3p6 5d 3p6 6d 3p6 7d 3p6 8d 3p6 9d 3p6 10d 3p6 11d 3p6 12d 3p6 13d 3p6 14d 3p6 4s 3p6 5s 3p6 6s 3p6 7s 3p6 8s 3p6 9s 3p6 10s 3p6 11s 3p6 12s 3p6 13s 3p6 14s 3p6 5g 3p6 6g 3p6 7g 3p6 8g 3p6 9g 3p6 7i 3p6 8i 3p6 9i 3p5 3d4p 3p5 4s4p SENORITY MIXING CORRECTIONS 0 0.5 148143.35 3p6 4s 2S 4s 2S 0 0.5 328217.30 3p6 5s 2S 5s 2S 0 0.5 403855.12 3p6 6s 2S 6s 2S 0 0.5 443074.72 3p6 7s 2S 7s 2S 0 0.5 466065.79 3p6 8s 2S 8s 2S 1 0.5 3p6 9s 2S 9s 2S 1 0.5 3p6 10s 2S 10s 2S 1 0.5 3p6 11s 2S 11s 2S 1 0.5 3p6 12s 2S 12s 2S 1 0.5 3p6 13s 2S 13s 2S 1 0.5 3p6 14s 2S 14s 2S 0 -1.0 0 1.5 0.00 3p6 3d 2D 3d 2D 0 1.5 293902.86 3p6 4d 2D 4d 2D 0 1.5 387977.07 3p6 5d 2D 5d 2D 0 1.5 434303.77 3p6 6d 2D 6d 2D 1 1.5 3p6 7d 2D 7d 2D 1 1.5 3p6 8d 2D 8d 2D 1 1.5 3p6 9d 2D 9d 2D 1 1.5 3p6 10d 2D 10d 2D 1 1.5 3p6 11d 2D 11d 2D 1 1.5 3p6 12d 2D 12d 2D 1 1.5 3p6 13d 2D 13d 2D 1 1.5 3p6 14d 2D 14d 2D 0 -1.0 0 2.5 624.87 3p6 3d 2D 3d 2D 0 2.5 294047.24 3p6 4d 2D 4d 2D 0 2.5 388043.69 3p6 5d 2D 5d 2D 0 2.5 434340.92 3p6 6d 2D 6d 2D 0 2.5 460719.7 3p6 7d 2D 7d 2D 1 2.5 3p6 8d 2D 8d 2D 1 2.5 3p6 9d 2D 9d 2D 1 2.5 3p6 10d 2D 10d 2D 1 2.5 3p6 11d 2D 11d 2D 1 2.5 3p6 12d 2D 12d 2D 1 2.5 3p6 13d 2D 13d 2D 1 2.5 3p6 14d 2D 14d 2D 0 -1.0 0 3.5 416360.29 3p6 5g 2G 5g 2G 0 3.5 450024.54 3p6 6g 2G 6g 2G 0 3.5 470333.35 3p6 7g 2G 7g 2G 1 3.5 3p6 8g 2G 8g 2G 1 3.5 3p6 9g 2G 9g 2G 0 -1.0 0 4.5 416361.78 3p6 5g 2G 5g 2G 0 4.5 450025.20 3p6 6g 2G 6g 2G 0 4.5 470333.75 3p6 7g 2G 7g 2G 1 4.5 3p6 8g 2G 8g 2G 1 4.5 3p6 9g 2G 9g 2G 0 -1.0 0 5.5 470524.11 3p6 7i 2I 7i 2I 0 5.5 483650.82 3p6 8i 2I 8i 2I 1 5.5 3p6 9i 2I 9i 2I 0 -1.0 0 6.5 470524.11 3p6 7i 2I 7i 2I 0 6.5 483650.82 3p6 8i 2I 8i 2I 1 6.5 3p6 9i 2I 9i 2I 206 0.5 19 LEAST SQUARES 1 1 EAV 1444.5 0.0 0.0 1.000 0 0.0 0 3p6 3d 2 1 ZETA 2 249.7 0.0 261.8 1.000 0 0.0 0 3 2 EAV 295767.6 0.0 294565.8 1.000 0 0.0 0 3p6 4d 4 2 ZETA 5 53.1 0.0 54.8 1.000 0 0.0 0 5 3 EAV 388809.5 0.0 387878.4 1.000 0 0.0 0 3p6 5d 6 3 ZETA 5 23.8 0.0 25.2 1.000 0 0.0 0 7 4 EAV 434803.2 0.0 433507.4 1.000 0 0.0 0 3p6 6d 8 4 ZETA 5 12.7 0.0 13.6 1.000 0 0.0 0 9 5 EAV 461032.8 0.0 459506.4 1.000 0 0.0 0 3p6 7d 10 5 ZETA 5 8.1 0.0 8.1 FIXEDHF 1.000 0 0.0 0 11 6 EAV 475758.3 0.0 475758.3 FIXEDHF 1.000 0 0.0 0 3p6 8d 12 6 ZETA 5 5.3 0.0 5.3 FIXEDHF 1.000 0 0.0 0 13 7 EAV 486597.9 0.0 486597.9 FIXEDHF 1.000 0 0.0 0 3p6 9d 14 7 ZETA 5 3.6 0.0 3.6 FIXEDHF 1.000 0 0.0 0 15 8 EAV 494190.4 0.0 494190.4 FIXEDHF 1.000 0 0.0 0 3p6 10d 16 8 ZETA 5 2.5 0.0 2.5 FIXEDHF 1.000 0 0.0 0 17 9 EAV 499718.7 0.0 499718.7 FIXEDHF 1.000 0 0.0 0 3p6 11d 18 9 ZETA 5 1.9 0.0 1.9 FIXEDHF 1.000 0 0.0 0 19 A EAV 503864.0 0.0 503864.0 FIXEDHF 1.000 0 0.0 0 3p6 12d 20 A ZETA 5 1.4 0.0 1.4 FIXEDHF 1.000 0 0.0 0 21 B EAV 507052.8 0.0 507052.8 FIXEDHF 1.000 0 0.0 0 3p6 13d 22 B ZETA 5 1.1 0.0 1.1 FIXEDHF 1.000 0 0.0 0 23 C EAV 509560.0 0.0 509560.0 FIXEDHF 1.000 0 0.0 0 3p6 14d 24 C ZETA 5 0.9 0.0 0.9 FIXEDHF 1.000 0 0.0 0 25 D EAV 152543.3 0.0 147246.4 1.000 0 0.0 0 3p6 4s 26 E EAV 328608.1 0.0 327249.1 1.000 0 0.0 0 3p6 5s 27 F EAV 404029.8 0.0 402500.7 1.000 0 0.0 0 3p6 6s 28 G EAV 443175.2 0.0 441504.4 1.000 0 0.0 0 3p6 7s 29 H EAV 466131.0 0.0 464376.7 1.000 0 0.0 0 3p6 8s 30 I EAV 478947.5 0.0 478947.5 FIXEDHF 1.000 0 0.0 0 3p6 9s 31 J EAV 488802.0 0.0 488802.0 FIXEDHF 1.000 0 0.0 0 3p6 10s 32 K EAV 495776.2 0.0 495776.2 FIXEDHF 1.000 0 0.0 0 3p6 11s 33 L EAV 500894.2 0.0 500894.2 FIXEDHF 1.000 0 0.0 0 3p6 12s 34 M EAV 504764.3 0.0 504764.3 FIXEDHF 1.000 0 0.0 0 3p6 13s 35 N EAV 507756.3 0.0 507756.3 FIXEDHF 1.000 0 0.0 0 3p6 14s 36 O EAV 416362.4 0.0 414359.3 1.000 0 0.0 0 3p6 5g 37 O ZETA 7 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 38 P EAV 450026.3 0.0 448053.6 1.000 0 0.0 0 3p6 6g 39 P ZETA 7 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 40 Q EAV 470334.9 0.0 468390.8 1.000 0 0.0 0 3p6 7g 41 Q ZETA 7 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 42 R EAV 481589.6 0.0 481589.6 FIXEDHF 1.000 0 0.0 0 3p6 8g 43 R ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 44 S EAV 490634.1 0.0 490634.1 FIXEDHF 1.000 0 0.0 0 3p6 9g 45 S ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 46 T EAV 470524.1 0.0 468628.7 1.000 0 0.0 0 3p6 7i 47 T ZETA 8 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 48 U EAV 483650.8 0.0 481750.0 1.000 0 0.0 0 3p6 8i 49 U ZETA 8 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 50 V EAV 490747.1 0.0 490747.1 FIXEDHF 1.000 0 0.0 0 3p6 9i 51 V ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 52 W EAV 545872.7 0.0 545872.7 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 53 W ZETA 1 4939.4 0.0 4939.4 FIXEDHF 1.000 0 0.0 0 54 W ZETA 2 295.3 0.0 295.3 FIXEDHF 1.000 0 0.0 0 55 W ZETA 4 930.0 0.0 930.0 FIXEDHF 1.000 0 0.0 0 56 W F2(12) 79670.5 0.0 99588.1 FIXEDHF 0.800 0 0.0 0 57 W F2(14) 21069.4 0.0 26336.8 FIXEDHF 0.800 0 0.0 0 58 W F2(24) 21936.3 0.0 27420.4 FIXEDHF 0.800 0 0.0 0 59 W G1(12) 97284.8 0.0 121606.0 FIXEDHF 0.800 0 0.0 0 60 W G3(12) 60513.0 0.0 75641.3 FIXEDHF 0.800 0 0.0 0 61 W G0(14) 6416.8 0.0 8021.0 FIXEDHF 0.800 0 0.0 0 62 W G2(14) 7075.0 0.0 8843.8 FIXEDHF 0.800 0 0.0 0 63 W G1(24) 7736.7 0.0 9670.9 FIXEDHF 0.800 0 0.0 0 64 W G3(24) 7418.6 0.0 9273.3 FIXEDHF 0.800 0 0.0 0 65 X EAV 733019.3 0.0 733019.3 FIXEDHF 1.000 0 0.0 0 3p5 4s4p 66 X ZETA 1 5192.5 0.0 5192.5 FIXEDHF 1.000 0 0.0 0 67 X ZETA 4 1036.4 0.0 1036.4 FIXEDHF 1.000 0 0.0 0 68 X F2(14) 22605.9 0.0 28257.4 FIXEDHF 0.800 0 0.0 0 69 X G1(13) 8242.8 0.0 10303.5 FIXEDHF 0.800 0 0.0 0 70 X G0(14) 6753.0 0.0 8441.2 FIXEDHF 0.800 0 0.0 0 71 X G2(14) 7521.0 0.0 9401.2 FIXEDHF 0.800 0 0.0 0 72 X G1(34) 46971.7 0.0 58714.6 FIXEDHF 0.800 0 0.0 0 73 1W 0D1114 3004.5 0.0 3755.6 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 74 1W 2D1114 13805.6 0.0 17257.0 FIXEDHF 0.800 0 0.0 0 75 1W 1D1224 8156.2 0.0 10195.3 FIXEDHF 0.800 0 0.0 0 76 1W 3D1224 8335.4 0.0 10419.3 FIXEDHF 0.800 0 0.0 0 77 1W 0E1224 976.2 0.0 1220.3 FIXEDHF 0.800 0 0.0 0 78 1W 2E1224 12134.9 0.0 15168.6 FIXEDHF 0.800 0 0.0 0 79 1X 1D1234 8689.8 0.0 10862.2 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 80 1X 2E1234 8572.4 0.0 10715.5 FIXEDHF 0.800 0 0.0 0 81 2W 1D1524 29644.0 0.0 37055.0 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 82 2W 3D1524 11138.1 0.0 13922.6 FIXEDHF 0.800 0 0.0 0 83 2W 0E1524 6888.4 0.0 8610.5 FIXEDHF 0.800 0 0.0 0 84 2W 2E1524 6892.3 0.0 8615.4 FIXEDHF 0.800 0 0.0 0 85 2X 1D1534 -5212.7 0.0 -6515.9 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 86 2X 2E1534 -3256.5 0.0 -4070.6 FIXEDHF 0.800 0 0.0 0 87 3W 1D1524 15146.9 0.0 18933.6 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 88 3W 3D1524 6950.6 0.0 8688.2 FIXEDHF 0.800 0 0.0 0 89 3W 0E1524 4225.8 0.0 5282.2 FIXEDHF 0.800 0 0.0 0 90 3W 2E1524 4460.6 0.0 5575.8 FIXEDHF 0.800 0 0.0 0 91 3X 1D1534 -1947.8 0.0 -2434.8 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 92 3X 2E1534 -1560.1 0.0 -1950.1 FIXEDHF 0.800 0 0.0 0 93 4W 1D1524 9839.7 0.0 12299.6 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 94 4W 3D1524 4847.6 0.0 6059.5 FIXEDHF 0.800 0 0.0 0 95 4W 0E1524 2949.4 0.0 3686.8 FIXEDHF 0.800 0 0.0 0 96 4W 2E1524 3171.6 0.0 3964.5 FIXEDHF 0.800 0 0.0 0 97 4X 1D1534 -1019.6 0.0 -1274.5 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 98 4X 2E1534 -914.1 0.0 -1142.6 FIXEDHF 0.800 0 0.0 0 99 5W 1D1524 7115.4 0.0 8894.2 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 100 5W 3D1524 3633.1 0.0 4541.4 FIXEDHF 0.800 0 0.0 0 101 5W 0E1524 2216.3 0.0 2770.4 FIXEDHF 0.800 0 0.0 0 102 5W 2E1524 2404.2 0.0 3005.2 FIXEDHF 0.800 0 0.0 0 103 5X 1D1534 -633.2 0.0 -791.5 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 104 5X 2E1534 -609.3 0.0 -761.6 FIXEDHF 0.800 0 0.0 0 105 6W 1D1524 5482.6 0.0 6853.3 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 106 6W 3D1524 2858.7 0.0 3573.4 FIXEDHF 0.800 0 0.0 0 107 6W 0E1524 1748.1 0.0 2185.1 FIXEDHF 0.800 0 0.0 0 108 6W 2E1524 1905.4 0.0 2381.8 FIXEDHF 0.800 0 0.0 0 109 6X 1D1534 -437.0 0.0 -546.2 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 110 6X 2E1534 -441.8 0.0 -552.3 FIXEDHF 0.800 0 0.0 0 111 7W 1D1524 4406.3 0.0 5507.9 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 112 7W 3D1524 2328.6 0.0 2910.8 FIXEDHF 0.800 0 0.0 0 113 7W 0E1524 1426.6 0.0 1783.3 FIXEDHF 0.800 0 0.0 0 114 7W 2E1524 1559.7 0.0 1949.6 FIXEDHF 0.800 0 0.0 0 115 7X 1D1534 -323.6 0.0 -404.5 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 116 7X 2E1534 -339.4 0.0 -424.2 FIXEDHF 0.800 0 0.0 0 117 8W 1D1524 3649.3 0.0 4561.6 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 118 8W 3D1524 1946.4 0.0 2433.0 FIXEDHF 0.800 0 0.0 0 119 8W 0E1524 1194.2 0.0 1492.7 FIXEDHF 0.800 0 0.0 0 120 8W 2E1524 1308.2 0.0 1635.2 FIXEDHF 0.800 0 0.0 0 121 8X 1D1534 -251.9 0.0 -314.9 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 122 8X 2E1534 -271.6 0.0 -339.5 FIXEDHF 0.800 0 0.0 0 123 9W 1D1524 3091.0 0.0 3863.8 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 124 9W 3D1524 1659.6 0.0 2074.5 FIXEDHF 0.800 0 0.0 0 125 9W 0E1524 1019.4 0.0 1274.2 FIXEDHF 0.800 0 0.0 0 126 9W 2E1524 1118.2 0.0 1397.8 FIXEDHF 0.800 0 0.0 0 127 9X 1D1534 -203.4 0.0 -254.2 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 128 9X 2E1534 -224.0 0.0 -280.0 FIXEDHF 0.800 0 0.0 0 129 AW 1D1524 2664.6 0.0 3330.7 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 130 AW 3D1524 1437.7 0.0 1797.1 FIXEDHF 0.800 0 0.0 0 131 AW 0E1524 883.8 0.0 1104.8 FIXEDHF 0.800 0 0.0 0 132 AW 2E1524 970.5 0.0 1213.1 FIXEDHF 0.800 0 0.0 0 133 AX 1D1534 -168.8 0.0 -211.0 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 134 AX 2E1534 -189.2 0.0 -236.5 FIXEDHF 0.800 0 0.0 0 135 BW 1D1524 2329.5 0.0 2911.9 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 136 BW 3D1524 1261.6 0.0 1577.0 FIXEDHF 0.800 0 0.0 0 137 BW 0E1524 776.2 0.0 970.2 FIXEDHF 0.800 0 0.0 0 138 BW 2E1524 852.9 0.0 1066.1 FIXEDHF 0.800 0 0.0 0 139 BX 1D1534 -143.2 0.0 -179.0 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 140 BX 2E1534 -162.6 0.0 -203.3 FIXEDHF 0.800 0 0.0 0 141 CW 1D1524 2060.2 0.0 2575.3 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 142 CW 3D1524 1119.0 0.0 1398.8 FIXEDHF 0.800 0 0.0 0 143 CW 0E1524 688.9 0.0 861.1 FIXEDHF 0.800 0 0.0 0 144 CW 2E1524 757.4 0.0 946.8 FIXEDHF 0.800 0 0.0 0 145 CX 1D1534 -123.5 0.0 -154.4 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 146 CX 2E1534 -142.0 0.0 -177.5 FIXEDHF 0.800 0 0.0 0 147 DW 1D1324 37568.3 0.0 46960.4 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 3d4p 148 DW 2E1324 7325.0 0.0 9156.2 FIXEDHF 0.800 0 0.0 0 149 DX 0D1114 3064.4 0.0 3830.5 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 150 DX 2D1114 14005.7 0.0 17507.1 FIXEDHF 0.800 0 0.0 0 151 DX 1D1334 -7024.9 0.0 -8781.1 FIXEDHF 0.800 0 0.0 0 152 DX 0E1334 -1072.9 0.0 -1341.1 FIXEDHF 0.800 0 0.0 0 153 EW 1D1624 9733.0 0.0 12166.3 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 154 EW 2E1624 3719.6 0.0 4649.5 FIXEDHF 0.800 0 0.0 0 155 EX 1D1634 105.8 0.0 132.2 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 156 EX 0E1634 2248.6 0.0 2810.8 FIXEDHF 0.800 0 0.0 0 157 FW 1D1624 5570.7 0.0 6963.4 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 158 FW 2E1624 2394.7 0.0 2993.4 FIXEDHF 0.800 0 0.0 0 159 FX 1D1634 470.1 0.0 587.6 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 160 FX 0E1634 1517.8 0.0 1897.3 FIXEDHF 0.800 0 0.0 0 161 GW 1D1624 3808.9 0.0 4761.1 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 162 GW 2E1624 1722.9 0.0 2153.6 FIXEDHF 0.800 0 0.0 0 163 GX 1D1634 461.4 0.0 576.8 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 164 GX 0E1634 1117.4 0.0 1396.8 FIXEDHF 0.800 0 0.0 0 165 HW 1D1624 2843.4 0.0 3554.2 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 166 HW 2E1624 1321.9 0.0 1652.4 FIXEDHF 0.800 0 0.0 0 167 HX 1D1634 404.8 0.0 506.0 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 168 HX 0E1634 868.8 0.0 1086.0 FIXEDHF 0.800 0 0.0 0 169 IW 1D1624 2238.6 0.0 2798.3 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 170 IW 2E1624 1058.2 0.0 1322.8 FIXEDHF 0.800 0 0.0 0 171 IX 1D1634 348.8 0.0 436.0 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 172 IX 0E1634 701.4 0.0 876.7 FIXEDHF 0.800 0 0.0 0 173 JW 1D1624 1827.1 0.0 2283.9 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 174 JW 2E1624 873.1 0.0 1091.4 FIXEDHF 0.800 0 0.0 0 175 JX 1D1634 301.2 0.0 376.5 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 176 JX 0E1634 581.9 0.0 727.4 FIXEDHF 0.800 0 0.0 0 177 KW 1D1624 1530.7 0.0 1913.4 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 178 KW 2E1624 737.0 0.0 921.3 FIXEDHF 0.800 0 0.0 0 179 KX 1D1634 262.1 0.0 327.6 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 180 KX 0E1634 493.2 0.0 616.5 FIXEDHF 0.800 0 0.0 0 181 LW 1D1624 1308.2 0.0 1635.2 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 182 LW 2E1624 633.4 0.0 791.7 FIXEDHF 0.800 0 0.0 0 183 LX 1D1634 230.1 0.0 287.6 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 184 LX 0E1634 425.0 0.0 531.3 FIXEDHF 0.800 0 0.0 0 185 MW 1D1624 1135.8 0.0 1419.7 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 186 MW 2E1624 552.2 0.0 690.2 FIXEDHF 0.800 0 0.0 0 187 MX 1D1634 203.8 0.0 254.7 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 188 MX 0E1634 371.3 0.0 464.1 FIXEDHF 0.800 0 0.0 0 189 NW 1D1624 998.7 0.0 1248.4 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 190 NW 2E1624 487.0 0.0 608.8 FIXEDHF 0.800 0 0.0 0 191 NX 1D1634 181.9 0.0 227.4 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 192 NX 0E1634 328.1 0.0 410.1 FIXEDHF 0.800 0 0.0 0 193 OW 3D1724 -1694.3 0.0 -2117.9 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 194 OW 2E1724 -294.2 0.0 -367.7 FIXEDHF 0.800 0 0.0 0 195 PW 3D1724 -1571.8 0.0 -1964.8 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 196 PW 2E1724 -278.9 0.0 -348.6 FIXEDHF 0.800 0 0.0 0 197 QW 3D1724 -1353.1 0.0 -1691.4 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 198 QW 2E1724 -242.5 0.0 -303.1 FIXEDHF 0.800 0 0.0 0 199 RW 3D1724 -1156.1 0.0 -1445.1 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 200 RW 2E1724 -208.2 0.0 -260.3 FIXEDHF 0.800 0 0.0 0 201 SW 3D1724 -994.2 0.0 -1242.7 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 202 SW 2E1724 -179.6 0.0 -224.5 FIXEDHF 0.800 0 0.0 0 203 WX 2D1213 6645.3 0.0 8306.6 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 204 WX 1E1213 9340.2 0.0 11675.3 FIXEDHF 0.800 0 0.0 0 205 WX 2D2434 -10086.2 0.0 -12607.8 FIXEDHF 0.800 0 0.0 0 206 WX 1E2434 -8594.7 0.0 -10743.4 FIXEDHF 0.800 0 0.0 0 23.04 J 0.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 148143.35 148143.328 0.0 2.002 4s 2S -0.996 D(2S)2S 1 -0.081 W(1P)2S 21 2 328217.30 328217.316 0.0 2.002 5s 2S -0.999 E(1S)2S 2 3 403855.12 403855.161 0.0 2.002 6s 2S 1.000 F(1S)2S 3 4 443074.72 443074.703 0.0 2.002 7s 2S 1.000 G(1S)2S 4 5 466065.79 466065.801 0.0 2.002 8s 2S 1.000 H(1S)2S 5 6 478902.720 2.002 9s 2S -1.000 I(1S)2S 6 7 488769.174 2.002 10s 2S 1.000 J(1S)2S 7 8 495751.191 2.002 11s 2S -1.000 K(1S)2S 8 9 500874.556 2.002 12s 2S 1.000 L(1S)2S 9 10 504748.485 2.002 13s 2S 1.000 M(1S)2S 10 11 507743.328 2.002 14s 2S -1.000 N(1S)2S 11 12 513595.398 0.044 0.946 W(3P)4D 12 0.219 W(3F)4D 14 0.203 W(3P)2P 19 13 516444.864 2.632 -0.984 W(3P)4P 15 -0.140 W(3P)2S 22 0.073 W(3P)4D 12 14 518621.012 0.663 0.958 W(3P)2P 19 -0.180 W(3P)4D 12 0.140 W(3P)2S 22 15 527418.613 1.976 0.973 W(3P)2S 22 -0.134 W(3P)4P 15 -0.131 W(3P)2P 19 16 531951.604 0.020 0.883 W(3F)4D 14 0.361 W(3D)4D 13 -0.259 W(3P)4D 12 17 549969.950 0.017 0.916 W(3D)4D 13 -0.370 W(3F)4D 14 0.136 W(3D)2P 20 18 555989.685 1.150 -0.763 W(1D)2P 18 -0.500 W(3D)4P 16 -0.378 W(3D)2P 20 19 557100.259 2.139 -0.855 W(3D)4P 16 0.389 W(1D)2P 18 0.328 W(3D)2P 20 20 560966.732 0.693 0.842 W(3D)2P 20 -0.498 W(1D)2P 18 -0.127 W(3P)2P 19 23.04 J 1.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.00 0.080 0.1 0.800 3d 2D 0.999 1(2D)2D 1 2 293902.86 293902.828 0.0 0.800 4d 2D -0.997 2(1S)2D 2 0.049 W(1P)2D 21 -0.041 W(3F)2D 26 3 387977.07 387977.061 0.0 0.800 5d 2D 0.998 3(1S)2D 3 0.038 W(3F)2D 26 -0.032 W(1P)2D 21 4 434303.77 434303.791 0.0 0.800 6d 2D 0.998 4(1S)2D 4 0.036 W(3F)2D 26 0.032 W(3P)2D 24 5 460695.331 0.800 7d 2D 0.998 5(1S)2D 5 0.034 W(3F)2D 26 0.032 W(3P)2D 24 6 475521.478 0.800 8d 2D -0.998 6(1S)2D 6 -0.031 W(3F)2D 26 -0.031 W(3P)2D 24 7 486421.102 0.800 9d 2D 0.998 7(1S)2D 7 0.031 W(3P)2D 24 8 494054.617 0.800 10d 2D 0.998 8(1S)2D 8 0.031 W(3P)2D 24 9 499611.856 0.800 11d 2D 0.998 9(1S)2D 9 0.031 W(3P)2D 24 10 503778.594 0.800 12d 2D 0.998 A(1S)2D 10 0.031 W(3P)2D 24 11 506983.621 0.800 13d 2D 0.999 B(1S)2D 11 0.030 W(3P)2D 24 12 509503.819 0.800 14d 2D 0.999 C(1S)2D 12 13 514520.819 1.209 0.948 W(3P)4D 15 0.243 W(3F)4D 17 0.128 W(3P)4P 18 14 517204.769 1.720 -0.923 W(3P)4P 18 -0.277 W(3P)4S 20 0.216 W(3P)2P 29 15 519413.418 1.414 0.832 W(3P)2P 29 -0.347 W(3P)4S 20 0.304 W(3P)4P 18 16 521557.248 1.848 -0.888 W(3P)4S 20 -0.358 W(3P)2P 29 -0.200 W(3P)2D 24 17 525129.966 0.861 -0.896 W(3P)2D 24 0.312 W(3P)2P 29 0.206 W(3F)2D 26 18 530435.906 1.000 -0.753 W(3F)4D 17 0.489 W(3F)4F 14 -0.311 W(3D)4D 16 19 533267.343 0.628 -0.832 W(3F)4F 14 -0.477 W(3F)4D 17 0.144 W(1D)2D 22 20 540242.828 0.794 -0.660 W(1D)2D 22 0.563 W(3F)2D 26 -0.343 W(1F)2D 23 J 1.5 21 548938.982 1.094 0.813 W(3D)4D 16 0.328 W(3D)2D 25 -0.280 W(3F)4D 17 22 550741.740 0.672 -0.649 W(3D)4F 13 -0.471 W(3D)2D 25 0.460 W(3F)2D 26 23 551741.334 0.668 -0.726 W(3D)4F 13 0.396 W(3D)2D 25 -0.379 W(3D)4D 16 24 555468.092 1.478 -0.678 W(3D)4P 19 -0.633 W(1D)2P 28 -0.235 W(3D)2P 30 25 557151.711 1.118 -0.619 W(3D)2P 30 0.481 W(1D)2D 22 -0.479 W(1F)2D 23 26 557514.764 1.457 -0.741 W(1D)2P 28 0.616 W(3D)4P 19 -0.207 W(1D)2D 22 27 560279.515 1.107 -0.732 W(3D)2P 30 0.440 W(1F)2D 23 -0.371 W(1D)2D 22 28 573525.754 0.801 0.641 W(3D)2D 25 0.528 W(1F)2D 23 0.384 W(3F)2D 26 29 648457.344 1.322 -0.985 W(1P)2P 27 0.146 W(1P)2D 21 -0.078 X(1P)2P 36 30 651798.275 0.811 -0.981 W(1P)2D 21 -0.147 W(1P)2P 27 -0.083 X(1P)2D 34 31 712274.534 1.986 -0.975 X(3P)4S 33 0.203 X(3P)4P 32 -0.076 X(1P)2P 36 32 721112.054 1.189 -0.864 X(3P)4D 31 -0.318 X(1P)2D 34 0.269 X(3P)4P 32 33 725845.127 1.249 -0.627 X(3P)4P 32 -0.586 X(1P)2D 34 -0.349 X(3P)2D 35 34 729958.572 1.240 -0.584 X(3P)4P 32 0.529 X(1P)2D 34 -0.493 X(3P)4D 31 35 733063.503 1.407 -0.723 X(1P)2P 36 -0.530 X(3P)2P 37 0.389 X(3P)4P 32 36 756066.780 1.081 -0.592 X(3P)2D 35 0.587 X(3P)2P 37 -0.425 X(1P)2P 36 37 761928.401 1.053 -0.620 X(3P)2D 35 -0.555 X(3P)2P 37 0.404 X(1P)2P 36 23.04 J 2.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 624.87 624.861 0.0 1.200 3d 2D 0.999 1(2D)2D 1 2 294047.24 294047.263 0.0 1.200 4d 2D -0.997 2(1S)2D 2 0.049 W(1P)2D 25 -0.041 W(3F)2D 30 3 388043.69 388043.728 0.0 1.200 5d 2D -0.998 3(1S)2D 3 -0.039 W(3F)2D 30 0.032 W(1P)2D 25 4 434340.92 434340.824 -0.1 1.200 6d 2D 0.998 4(1S)2D 4 0.037 W(3F)2D 30 0.030 W(3P)2D 28 5 460719.7 460719.707 0.0 1.200 7d 2D 0.998 5(1S)2D 5 0.035 W(3F)2D 30 0.030 W(3P)2D 28 6 475537.926 1.200 8d 2D 0.998 6(1S)2D 6 0.033 W(3F)2D 30 7 486432.761 1.200 9d 2D 0.998 7(1S)2D 7 0.031 W(3F)2D 30 8 494063.147 1.200 10d 2D -0.998 8(1S)2D 8 9 499618.620 1.200 11d 2D 0.998 9(1S)2D 9 10 503783.922 1.200 12d 2D -0.999 A(1S)2D 10 11 506988.058 1.200 13d 2D 0.999 B(1S)2D 11 12 509507.623 1.200 14d 2D 0.999 C(1S)2D 12 13 515943.829 1.376 0.937 W(3P)4D 16 0.287 W(3F)4D 18 0.163 W(3P)4P 19 14 518907.071 1.582 -0.967 W(3P)4P 19 0.142 W(3P)2D 28 0.135 W(3P)4D 16 15 525504.244 1.197 0.888 W(3P)2D 28 -0.269 W(3F)2D 30 -0.228 W(3D)2D 29 16 528828.797 1.230 0.685 W(3F)4D 18 -0.555 W(3F)4F 15 0.264 W(3D)4D 17 17 530377.448 0.643 -0.946 W(3F)4G 13 0.252 W(3F)4D 18 0.095 W(1D)2F 21 18 531185.128 0.959 0.783 W(3F)2F 24 0.435 W(3F)4F 15 0.306 W(3F)4D 18 19 533075.219 1.046 -0.646 W(3F)4F 15 0.524 W(3F)2F 24 -0.409 W(3F)4D 18 20 539130.206 1.173 -0.627 W(3F)2D 30 0.527 W(1D)2D 26 0.414 W(1F)2D 27 J 2.5 21 547537.418 1.255 -0.681 W(3D)4D 17 -0.414 W(3D)2D 29 0.303 W(3F)2D 30 22 548640.574 1.135 0.481 W(3D)2D 29 -0.446 W(3F)2D 30 0.390 W(1D)2F 21 23 549855.960 1.035 0.614 W(1D)2F 21 0.512 W(3D)4D 17 -0.453 W(1F)2F 22 24 551842.741 1.016 -0.893 W(3D)4F 14 -0.323 W(1F)2F 22 0.150 W(1D)2F 21 25 554328.387 0.884 0.607 W(1F)2F 22 0.554 W(3D)2F 23 0.478 W(1D)2F 21 26 554968.197 1.537 0.915 W(3D)4P 20 -0.272 W(1D)2D 26 0.226 W(1F)2D 27 27 558355.418 1.231 -0.640 W(1F)2D 27 0.560 W(1D)2D 26 0.311 W(3D)2D 29 28 559881.756 0.875 -0.780 W(3D)2F 23 0.419 W(1D)2F 21 0.393 W(1F)2F 22 29 574969.507 1.200 0.619 W(3D)2D 29 0.516 W(1F)2D 27 0.412 W(3F)2D 30 30 652788.720 1.200 -0.993 W(1P)2D 25 -0.083 X(1P)2D 33 -0.046 2(1S)2D 2 31 719831.999 1.377 0.918 X(3P)4D 31 -0.284 X(3P)4P 32 0.223 X(1P)2D 33 32 725085.131 1.513 -0.879 X(3P)4P 32 -0.388 X(1P)2D 33 -0.240 X(3P)2D 34 33 732173.654 1.283 0.702 X(1P)2D 33 0.466 X(3P)2D 34 -0.383 X(3P)4P 32 34 752743.392 1.201 -0.835 X(3P)2D 34 0.547 X(1P)2D 33 -0.035 W(1P)2D 25 23.04 J 3.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 416360.29 416359.954 -0.3 0.889 5g 2G 1.000 O(1S)2G 1 2 450024.54 450024.190 -0.3 0.889 6g 2G 1.000 P(1S)2G 2 3 470333.35 470333.147 -0.2 0.889 7g 2G -1.000 Q(1S)2G 3 4 481588.293 0.889 8g 2G -1.000 R(1S)2G 4 5 490632.956 0.889 9g 2G 1.000 S(1S)2G 5 6 517826.456 1.427 0.916 W(3P)4D 9 0.384 W(3F)4D 11 -0.064 W(3D)4F 7 7 527275.849 1.308 0.602 W(3F)4D 11 -0.567 W(3F)4F 8 -0.393 W(3F)2F 17 8 528294.820 1.183 -0.847 W(3F)2F 17 -0.361 W(3F)4D 11 -0.255 W(3F)4G 6 9 528900.250 1.054 0.879 W(3F)4G 6 -0.344 W(3F)4D 11 0.180 W(3F)2G 13 10 531211.531 1.247 -0.785 W(3F)4F 8 -0.409 W(3F)4D 11 0.266 W(3F)2F 17 11 537411.665 0.900 -0.950 W(3F)2G 13 0.206 W(3F)4G 6 -0.168 W(1F)2G 12 12 547136.541 1.384 0.868 W(3D)4D 10 0.311 W(1F)2F 15 -0.262 W(3F)4D 11 13 550495.118 1.174 -0.655 W(3D)4F 7 -0.415 W(1D)2F 14 -0.380 W(1F)2G 12 14 551533.734 1.139 -0.606 W(1F)2F 15 0.546 W(1D)2F 14 -0.332 W(3D)4F 7 15 553619.860 1.034 -0.738 W(1F)2G 12 0.570 W(3D)4F 7 -0.273 W(3D)2F 16 16 555437.002 1.135 0.585 W(1D)2F 14 0.514 W(3D)2F 16 0.482 W(1F)2F 15 17 559633.090 1.115 0.706 W(3D)2F 16 -0.471 W(1F)2F 15 -0.377 W(1D)2F 14 18 719231.431 1.430 -1.000 X(3P)4D 18 23.04 J 4.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 416361.78 416362.196 0.4 1.111 5g 2G 1.000 O(1S)2G 1 2 450025.20 450025.525 0.3 1.111 6g 2G 1.000 P(1S)2G 2 3 470333.75 470334.029 0.3 1.111 7g 2G 1.000 Q(1S)2G 3 4 481588.723 1.111 8g 2G -1.000 R(1S)2G 4 5 490633.385 1.111 9g 2G 1.000 S(1S)2G 5 6 527352.212 1.221 0.797 W(3F)4G 6 -0.565 W(3F)4F 8 0.203 W(3F)2G 10 7 528769.274 1.282 -0.810 W(3F)4F 8 -0.547 W(3F)4G 6 0.168 W(3D)4F 7 8 534746.129 1.116 -0.970 W(3F)2G 10 0.220 W(3F)4G 6 -0.091 W(3D)4F 7 9 550213.079 1.279 -0.858 W(3D)4F 7 -0.495 W(1F)2G 9 -0.123 W(3F)4F 8 10 555444.019 1.165 -0.863 W(1F)2G 9 0.477 W(3D)4F 7 0.128 W(3F)4G 6 23.04 J 5.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 470524.11 470523.750 -0.4 0.923 7i 2I 1.000 T(1S)2I 1 2 483650.82 483650.450 -0.4 0.923 8i 2I 1.000 U(1S)2I 2 3 490747.100 0.923 9i 2I 1.000 V(1S)2I 3 4 527049.416 1.273 1.000 W(3F)4G 4 23.04 J 6.5 1 3p6 3d 2 3p6 4d 3 3p6 5d 4 3p6 6d 5 3p6 7d 6 3p6 8d 7 3p6 9d 8 3p6 10d 9 3p6 11d A 3p6 12d B 3p6 13d C 3p6 14d D 3p6 4s E 3p6 5s F 3p6 6s G 3p6 7s H 3p6 8s I 3p6 9s J 3p6 10s K 3p6 11s L 3p6 12s M 3p6 13s N 3p6 14s O 3p6 5g P 3p6 6g Q 3p6 7g R 3p6 8g S 3p6 9g T 3p6 7i U 3p6 8i V 3p6 9i W 3p5 3d4p X 3p5 4s4p OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 470524.11 470524.400 0.3 1.077 7i 2I 1.000 T(1S)2I 1 2 483650.82 483651.100 0.3 1.077 8i 2I 1.000 U(1S)2I 2 3 490747.100 1.077 9i 2I 1.000 V(1S)2I 3 23.04 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 3p6 3d 1 1 EAV 1444.5 0.3 0.0 1444.5 0.0 0.000 1.000 0 0.0 0 2 1 ZETA 2 249.7 0.3 0.0 249.7 261.8 0.954 1.000 0 0.0 0 3p6 4d 3 2 EAV 295767.6 0.3 0.0 295767.6 294565.8 0.000 1.000 0 0.0 0 4 2 ZETA 5 53.1 0.3 0.0 53.1 54.8 0.969 1.000 0 0.0 0 3p6 5d 5 3 EAV 388809.5 0.3 0.0 388809.5 387878.4 0.000 1.000 0 0.0 0 6 3 ZETA 5 23.8 0.3 0.0 23.8 25.2 0.944 1.000 0 0.0 0 3p6 6d 7 4 EAV 434803.2 0.3 0.0 434803.2 433507.4 0.000 1.000 0 0.0 0 8 4 ZETA 5 12.7 0.3 0.0 12.7 13.6 0.937 1.000 0 0.0 0 3p6 7d 9 5 EAV 461032.8 0.5 0.0 461032.8 459506.4 0.000 1.000 0 0.0 0 10 5 ZETA 5 8.1 0.0 0.0 8.1 8.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 8d 11 6 EAV 475758.3 0.0 0.0 475758.3 475758.3 0.000 FIXEDHF 1.000 0 0.0 0 12 6 ZETA 5 5.3 0.0 0.0 5.3 5.3 1.000 FIXEDHF 1.000 0 0.0 0 3p6 9d 13 7 EAV 486597.9 0.0 0.0 486597.9 486597.9 0.000 FIXEDHF 1.000 0 0.0 0 14 7 ZETA 5 3.6 0.0 0.0 3.6 3.6 1.000 FIXEDHF 1.000 0 0.0 0 3p6 10d 15 8 EAV 494190.4 0.0 0.0 494190.4 494190.4 0.000 FIXEDHF 1.000 0 0.0 0 16 8 ZETA 5 2.5 0.0 0.0 2.5 2.5 1.000 FIXEDHF 1.000 0 0.0 0 3p6 11d 17 9 EAV 499718.7 0.0 0.0 499718.7 499718.7 0.000 FIXEDHF 1.000 0 0.0 0 18 9 ZETA 5 1.9 0.0 0.0 1.9 1.9 1.000 FIXEDHF 1.000 0 0.0 0 3p6 12d 19 A EAV 503864.0 0.0 0.0 503864.0 503864.0 0.000 FIXEDHF 1.000 0 0.0 0 20 A ZETA 5 1.4 0.0 0.0 1.4 1.4 1.000 FIXEDHF 1.000 0 0.0 0 3p6 13d 21 B EAV 507052.8 0.0 0.0 507052.8 507052.8 0.000 FIXEDHF 1.000 0 0.0 0 22 B ZETA 5 1.1 0.0 0.0 1.1 1.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 14d 23 C EAV 509560.0 0.0 0.0 509560.0 509560.0 0.000 FIXEDHF 1.000 0 0.0 0 24 C ZETA 5 0.9 0.0 0.0 0.9 0.9 1.000 FIXEDHF 1.000 0 0.0 0 3p6 4s 25 D EAV 152543.3 0.5 0.0 152543.3 147246.4 0.000 1.000 0 0.0 0 3p6 5s 26 E EAV 328608.1 0.5 0.0 328608.1 327249.1 0.000 1.000 0 0.0 0 3p6 6s 27 F EAV 404029.8 0.5 0.0 404029.8 402500.7 0.000 1.000 0 0.0 0 3p6 7s 28 G EAV 443175.2 0.5 0.0 443175.2 441504.4 0.000 1.000 0 0.0 0 3p6 8s 29 H EAV 466131.0 0.5 0.0 466131.0 464376.7 0.000 1.000 0 0.0 0 3p6 9s 30 I EAV 478947.5 0.0 0.0 478947.5 478947.5 0.000 FIXEDHF 1.000 0 0.0 0 3p6 10s 31 J EAV 488802.0 0.0 0.0 488802.0 488802.0 0.000 FIXEDHF 1.000 0 0.0 0 3p6 11s 32 K EAV 495776.2 0.0 0.0 495776.2 495776.2 0.000 FIXEDHF 1.000 0 0.0 0 3p6 12s 33 L EAV 500894.2 0.0 0.0 500894.2 500894.2 0.000 FIXEDHF 1.000 0 0.0 0 3p6 13s 34 M EAV 504764.3 0.0 0.0 504764.3 504764.3 0.000 FIXEDHF 1.000 0 0.0 0 3p6 14s 35 N EAV 507756.3 0.0 0.0 507756.3 507756.3 0.000 FIXEDHF 1.000 0 0.0 0 3p6 5g 36 O EAV 416362.4 0.3 0.0 416362.4 414359.3 0.000 1.000 0 0.0 0 37 O ZETA 7 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.0 0 3p6 6g 38 P EAV 450026.3 0.3 0.0 450026.3 448053.6 0.000 1.000 0 0.0 0 39 P ZETA 7 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 3p6 7g 40 Q EAV 470334.9 0.3 0.0 470334.9 468390.8 0.000 1.000 0 0.0 0 41 Q ZETA 7 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 3p6 8g 42 R EAV 481589.6 0.0 0.0 481589.6 481589.6 0.000 FIXEDHF 1.000 0 0.0 0 43 R ZETA 7 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 9g 44 S EAV 490634.1 0.0 0.0 490634.1 490634.1 0.000 FIXEDHF 1.000 0 0.0 0 45 S ZETA 7 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 7i 46 T EAV 470524.1 0.3 0.0 470524.1 468628.7 0.000 1.000 0 0.0 0 47 T ZETA 8 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 8i 48 U EAV 483650.8 0.3 0.0 483650.8 481750.0 0.000 1.000 0 0.0 0 49 U ZETA 8 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 3p6 9i 50 V EAV 490747.1 0.0 0.0 490747.1 490747.1 0.000 FIXEDHF 1.000 0 0.0 0 51 V ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 3p5 3d4p 52 W EAV 545872.7 0.0 0.0 545872.7 545872.7 0.000 FIXEDHF 1.000 0 0.0 0 53 W ZETA 1 4939.4 0.0 0.0 4939.4 4939.4 1.000 FIXEDHF 1.000 0 0.0 0 54 W ZETA 2 295.3 0.0 0.0 295.3 295.3 1.000 FIXEDHF 1.000 0 0.0 0 55 W ZETA 4 930.0 0.0 0.0 930.0 930.0 1.000 FIXEDHF 1.000 0 0.0 0 56 W F2(12) 79670.5 0.0 0.0 79670.5 99588.1 0.800 FIXEDHF 0.800 0 0.0 0 57 W F2(14) 21069.4 0.0 0.0 21069.4 26336.8 0.800 FIXEDHF 0.800 0 0.0 0 58 W F2(24) 21936.3 0.0 0.0 21936.3 27420.4 0.800 FIXEDHF 0.800 0 0.0 0 59 W G1(12) 97284.8 0.0 0.0 97284.8 121606.0 0.800 FIXEDHF 0.800 0 0.0 0 60 W G3(12) 60513.0 0.0 0.0 60513.0 75641.3 0.800 FIXEDHF 0.800 0 0.0 0 61 W G0(14) 6416.8 0.0 0.0 6416.8 8021.0 0.800 FIXEDHF 0.800 0 0.0 0 62 W G2(14) 7075.0 0.0 0.0 7075.0 8843.8 0.800 FIXEDHF 0.800 0 0.0 0 63 W G1(24) 7736.7 0.0 0.0 7736.7 9670.9 0.800 FIXEDHF 0.800 0 0.0 0 64 W G3(24) 7418.6 0.0 0.0 7418.6 9273.3 0.800 FIXEDHF 0.800 0 0.0 0 3p5 4s4p 65 X EAV 733019.3 0.0 0.0 733019.3 733019.3 0.000 FIXEDHF 1.000 0 0.0 0 66 X ZETA 1 5192.5 0.0 0.0 5192.5 5192.5 1.000 FIXEDHF 1.000 0 0.0 0 67 X ZETA 4 1036.4 0.0 0.0 1036.4 1036.4 1.000 FIXEDHF 1.000 0 0.0 0 68 X F2(14) 22605.9 0.0 0.0 22605.9 28257.4 0.800 FIXEDHF 0.800 0 0.0 0 69 X G1(13) 8242.8 0.0 0.0 8242.8 10303.5 0.800 FIXEDHF 0.800 0 0.0 0 70 X G0(14) 6753.0 0.0 0.0 6753.0 8441.2 0.800 FIXEDHF 0.800 0 0.0 0 71 X G2(14) 7521.0 0.0 0.0 7521.0 9401.2 0.800 FIXEDHF 0.800 0 0.0 0 72 X G1(34) 46971.7 0.0 0.0 46971.7 58714.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 3d4p 73 1W 0D1114 3004.5 0.0 0.0 3004.5 3755.6 0.800 FIXEDHF 0.800 0 0.0 0 74 1W 2D1114 13805.6 0.0 0.0 13805.6 17257.0 0.800 FIXEDHF 0.800 0 0.0 0 75 1W 1D1224 8156.2 0.0 0.0 8156.2 10195.3 0.800 FIXEDHF 0.800 0 0.0 0 76 1W 3D1224 8335.4 0.0 0.0 8335.4 10419.3 0.800 FIXEDHF 0.800 0 0.0 0 77 1W 0E1224 976.2 0.0 0.0 976.2 1220.3 0.800 FIXEDHF 0.800 0 0.0 0 78 1W 2E1224 12134.9 0.0 0.0 12134.9 15168.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 3d -3p5 4s4p 79 1X 1D1234 8689.8 0.0 0.0 8689.8 10862.2 0.800 FIXEDHF 0.800 0 0.0 0 80 1X 2E1234 8572.4 0.0 0.0 8572.4 10715.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 3d4p 81 2W 1D1524 29644.0 0.0 0.0 29644.0 37055.0 0.800 FIXEDHF 0.800 0 0.0 0 82 2W 3D1524 11138.1 0.0 0.0 11138.1 13922.6 0.800 FIXEDHF 0.800 0 0.0 0 83 2W 0E1524 6888.4 0.0 0.0 6888.4 8610.5 0.800 FIXEDHF 0.800 0 0.0 0 84 2W 2E1524 6892.3 0.0 0.0 6892.3 8615.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4d -3p5 4s4p 85 2X 1D1534 -5212.7 0.0 0.0 -5212.7 -6515.9 0.800 FIXEDHF 0.800 0 0.0 0 86 2X 2E1534 -3256.5 0.0 0.0 -3256.5 -4070.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 3d4p 87 3W 1D1524 15146.9 0.0 0.0 15146.9 18933.6 0.800 FIXEDHF 0.800 0 0.0 0 88 3W 3D1524 6950.6 0.0 0.0 6950.6 8688.2 0.800 FIXEDHF 0.800 0 0.0 0 89 3W 0E1524 4225.8 0.0 0.0 4225.8 5282.2 0.800 FIXEDHF 0.800 0 0.0 0 90 3W 2E1524 4460.6 0.0 0.0 4460.6 5575.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5d -3p5 4s4p 91 3X 1D1534 -1947.8 0.0 0.0 -1947.8 -2434.8 0.800 FIXEDHF 0.800 0 0.0 0 92 3X 2E1534 -1560.1 0.0 0.0 -1560.1 -1950.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 3d4p 93 4W 1D1524 9839.7 0.0 0.0 9839.7 12299.6 0.800 FIXEDHF 0.800 0 0.0 0 94 4W 3D1524 4847.6 0.0 0.0 4847.6 6059.5 0.800 FIXEDHF 0.800 0 0.0 0 95 4W 0E1524 2949.4 0.0 0.0 2949.4 3686.8 0.800 FIXEDHF 0.800 0 0.0 0 96 4W 2E1524 3171.6 0.0 0.0 3171.6 3964.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6d -3p5 4s4p 97 4X 1D1534 -1019.6 0.0 0.0 -1019.6 -1274.5 0.800 FIXEDHF 0.800 0 0.0 0 98 4X 2E1534 -914.1 0.0 0.0 -914.1 -1142.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 3d4p 99 5W 1D1524 7115.4 0.0 0.0 7115.4 8894.2 0.800 FIXEDHF 0.800 0 0.0 0 100 5W 3D1524 3633.1 0.0 0.0 3633.1 4541.4 0.800 FIXEDHF 0.800 0 0.0 0 101 5W 0E1524 2216.3 0.0 0.0 2216.3 2770.4 0.800 FIXEDHF 0.800 0 0.0 0 102 5W 2E1524 2404.2 0.0 0.0 2404.2 3005.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7d -3p5 4s4p 103 5X 1D1534 -633.2 0.0 0.0 -633.2 -791.5 0.800 FIXEDHF 0.800 0 0.0 0 104 5X 2E1534 -609.3 0.0 0.0 -609.3 -761.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 3d4p 105 6W 1D1524 5482.6 0.0 0.0 5482.6 6853.3 0.800 FIXEDHF 0.800 0 0.0 0 106 6W 3D1524 2858.7 0.0 0.0 2858.7 3573.4 0.800 FIXEDHF 0.800 0 0.0 0 107 6W 0E1524 1748.1 0.0 0.0 1748.1 2185.1 0.800 FIXEDHF 0.800 0 0.0 0 108 6W 2E1524 1905.4 0.0 0.0 1905.4 2381.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8d -3p5 4s4p 109 6X 1D1534 -437.0 0.0 0.0 -437.0 -546.2 0.800 FIXEDHF 0.800 0 0.0 0 110 6X 2E1534 -441.8 0.0 0.0 -441.8 -552.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 3d4p 111 7W 1D1524 4406.3 0.0 0.0 4406.3 5507.9 0.800 FIXEDHF 0.800 0 0.0 0 112 7W 3D1524 2328.6 0.0 0.0 2328.6 2910.8 0.800 FIXEDHF 0.800 0 0.0 0 113 7W 0E1524 1426.6 0.0 0.0 1426.6 1783.3 0.800 FIXEDHF 0.800 0 0.0 0 114 7W 2E1524 1559.7 0.0 0.0 1559.7 1949.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9d -3p5 4s4p 115 7X 1D1534 -323.6 0.0 0.0 -323.6 -404.5 0.800 FIXEDHF 0.800 0 0.0 0 116 7X 2E1534 -339.4 0.0 0.0 -339.4 -424.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 3d4p 117 8W 1D1524 3649.3 0.0 0.0 3649.3 4561.6 0.800 FIXEDHF 0.800 0 0.0 0 118 8W 3D1524 1946.4 0.0 0.0 1946.4 2433.0 0.800 FIXEDHF 0.800 0 0.0 0 119 8W 0E1524 1194.2 0.0 0.0 1194.2 1492.7 0.800 FIXEDHF 0.800 0 0.0 0 120 8W 2E1524 1308.2 0.0 0.0 1308.2 1635.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10d -3p5 4s4p 121 8X 1D1534 -251.9 0.0 0.0 -251.9 -314.9 0.800 FIXEDHF 0.800 0 0.0 0 122 8X 2E1534 -271.6 0.0 0.0 -271.6 -339.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 3d4p 123 9W 1D1524 3091.0 0.0 0.0 3091.0 3863.8 0.800 FIXEDHF 0.800 0 0.0 0 124 9W 3D1524 1659.6 0.0 0.0 1659.6 2074.5 0.800 FIXEDHF 0.800 0 0.0 0 125 9W 0E1524 1019.4 0.0 0.0 1019.4 1274.2 0.800 FIXEDHF 0.800 0 0.0 0 126 9W 2E1524 1118.2 0.0 0.0 1118.2 1397.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11d -3p5 4s4p 127 9X 1D1534 -203.4 0.0 0.0 -203.4 -254.2 0.800 FIXEDHF 0.800 0 0.0 0 128 9X 2E1534 -224.0 0.0 0.0 -224.0 -280.0 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 3d4p 129 AW 1D1524 2664.6 0.0 0.0 2664.6 3330.7 0.800 FIXEDHF 0.800 0 0.0 0 130 AW 3D1524 1437.7 0.0 0.0 1437.7 1797.1 0.800 FIXEDHF 0.800 0 0.0 0 131 AW 0E1524 883.8 0.0 0.0 883.8 1104.8 0.800 FIXEDHF 0.800 0 0.0 0 132 AW 2E1524 970.5 0.0 0.0 970.5 1213.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12d -3p5 4s4p 133 AX 1D1534 -168.8 0.0 0.0 -168.8 -211.0 0.800 FIXEDHF 0.800 0 0.0 0 134 AX 2E1534 -189.2 0.0 0.0 -189.2 -236.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 3d4p 135 BW 1D1524 2329.5 0.0 0.0 2329.5 2911.9 0.800 FIXEDHF 0.800 0 0.0 0 136 BW 3D1524 1261.6 0.0 0.0 1261.6 1577.0 0.800 FIXEDHF 0.800 0 0.0 0 137 BW 0E1524 776.2 0.0 0.0 776.2 970.2 0.800 FIXEDHF 0.800 0 0.0 0 138 BW 2E1524 852.9 0.0 0.0 852.9 1066.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13d -3p5 4s4p 139 BX 1D1534 -143.2 0.0 0.0 -143.2 -179.0 0.800 FIXEDHF 0.800 0 0.0 0 140 BX 2E1534 -162.6 0.0 0.0 -162.6 -203.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 3d4p 141 CW 1D1524 2060.2 0.0 0.0 2060.2 2575.3 0.800 FIXEDHF 0.800 0 0.0 0 142 CW 3D1524 1119.0 0.0 0.0 1119.0 1398.8 0.800 FIXEDHF 0.800 0 0.0 0 143 CW 0E1524 688.9 0.0 0.0 688.9 861.1 0.800 FIXEDHF 0.800 0 0.0 0 144 CW 2E1524 757.4 0.0 0.0 757.4 946.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14d -3p5 4s4p 145 CX 1D1534 -123.5 0.0 0.0 -123.5 -154.4 0.800 FIXEDHF 0.800 0 0.0 0 146 CX 2E1534 -142.0 0.0 0.0 -142.0 -177.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 3d4p 147 DW 1D1324 37568.3 0.0 0.0 37568.3 46960.4 0.800 FIXEDHF 0.800 0 0.0 0 148 DW 2E1324 7325.0 0.0 0.0 7325.0 9156.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 4s -3p5 4s4p 149 DX 0D1114 3064.4 0.0 0.0 3064.4 3830.5 0.800 FIXEDHF 0.800 0 0.0 0 150 DX 2D1114 14005.7 0.0 0.0 14005.7 17507.1 0.800 FIXEDHF 0.800 0 0.0 0 151 DX 1D1334 -7024.9 0.0 0.0 -7024.9 -8781.1 0.800 FIXEDHF 0.800 0 0.0 0 152 DX 0E1334 -1072.9 0.0 0.0 -1072.9 -1341.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 3d4p 153 EW 1D1624 9733.0 0.0 0.0 9733.0 12166.3 0.800 FIXEDHF 0.800 0 0.0 0 154 EW 2E1624 3719.6 0.0 0.0 3719.6 4649.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5s -3p5 4s4p 155 EX 1D1634 105.8 0.0 0.0 105.8 132.2 0.800 FIXEDHF 0.800 0 0.0 0 156 EX 0E1634 2248.6 0.0 0.0 2248.6 2810.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 3d4p 157 FW 1D1624 5570.7 0.0 0.0 5570.7 6963.4 0.800 FIXEDHF 0.800 0 0.0 0 158 FW 2E1624 2394.7 0.0 0.0 2394.7 2993.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6s -3p5 4s4p 159 FX 1D1634 470.1 0.0 0.0 470.1 587.6 0.800 FIXEDHF 0.800 0 0.0 0 160 FX 0E1634 1517.8 0.0 0.0 1517.8 1897.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 3d4p 161 GW 1D1624 3808.9 0.0 0.0 3808.9 4761.1 0.800 FIXEDHF 0.800 0 0.0 0 162 GW 2E1624 1722.9 0.0 0.0 1722.9 2153.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7s -3p5 4s4p 163 GX 1D1634 461.4 0.0 0.0 461.4 576.8 0.800 FIXEDHF 0.800 0 0.0 0 164 GX 0E1634 1117.4 0.0 0.0 1117.4 1396.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 3d4p 165 HW 1D1624 2843.4 0.0 0.0 2843.4 3554.2 0.800 FIXEDHF 0.800 0 0.0 0 166 HW 2E1624 1321.9 0.0 0.0 1321.9 1652.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8s -3p5 4s4p 167 HX 1D1634 404.8 0.0 0.0 404.8 506.0 0.800 FIXEDHF 0.800 0 0.0 0 168 HX 0E1634 868.8 0.0 0.0 868.8 1086.0 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 3d4p 169 IW 1D1624 2238.6 0.0 0.0 2238.6 2798.3 0.800 FIXEDHF 0.800 0 0.0 0 170 IW 2E1624 1058.2 0.0 0.0 1058.2 1322.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9s -3p5 4s4p 171 IX 1D1634 348.8 0.0 0.0 348.8 436.0 0.800 FIXEDHF 0.800 0 0.0 0 172 IX 0E1634 701.4 0.0 0.0 701.4 876.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 3d4p 173 JW 1D1624 1827.1 0.0 0.0 1827.1 2283.9 0.800 FIXEDHF 0.800 0 0.0 0 174 JW 2E1624 873.1 0.0 0.0 873.1 1091.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 10s -3p5 4s4p 175 JX 1D1634 301.2 0.0 0.0 301.2 376.5 0.800 FIXEDHF 0.800 0 0.0 0 176 JX 0E1634 581.9 0.0 0.0 581.9 727.4 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 3d4p 177 KW 1D1624 1530.7 0.0 0.0 1530.7 1913.4 0.800 FIXEDHF 0.800 0 0.0 0 178 KW 2E1624 737.0 0.0 0.0 737.0 921.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 11s -3p5 4s4p 179 KX 1D1634 262.1 0.0 0.0 262.1 327.6 0.800 FIXEDHF 0.800 0 0.0 0 180 KX 0E1634 493.2 0.0 0.0 493.2 616.5 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 3d4p 181 LW 1D1624 1308.2 0.0 0.0 1308.2 1635.2 0.800 FIXEDHF 0.800 0 0.0 0 182 LW 2E1624 633.4 0.0 0.0 633.4 791.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 12s -3p5 4s4p 183 LX 1D1634 230.1 0.0 0.0 230.1 287.6 0.800 FIXEDHF 0.800 0 0.0 0 184 LX 0E1634 425.0 0.0 0.0 425.0 531.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 3d4p 185 MW 1D1624 1135.8 0.0 0.0 1135.8 1419.7 0.800 FIXEDHF 0.800 0 0.0 0 186 MW 2E1624 552.2 0.0 0.0 552.2 690.2 0.800 FIXEDHF 0.800 0 0.0 0 3p6 13s -3p5 4s4p 187 MX 1D1634 203.8 0.0 0.0 203.8 254.7 0.800 FIXEDHF 0.800 0 0.0 0 188 MX 0E1634 371.3 0.0 0.0 371.3 464.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 3d4p 189 NW 1D1624 998.7 0.0 0.0 998.7 1248.4 0.800 FIXEDHF 0.800 0 0.0 0 190 NW 2E1624 487.0 0.0 0.0 487.0 608.8 0.800 FIXEDHF 0.800 0 0.0 0 3p6 14s -3p5 4s4p 191 NX 1D1634 181.9 0.0 0.0 181.9 227.4 0.800 FIXEDHF 0.800 0 0.0 0 192 NX 0E1634 328.1 0.0 0.0 328.1 410.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 5g -3p5 3d4p 193 OW 3D1724 -1694.3 0.0 0.0 -1694.3 -2117.9 0.800 FIXEDHF 0.800 0 0.0 0 194 OW 2E1724 -294.2 0.0 0.0 -294.2 -367.7 0.800 FIXEDHF 0.800 0 0.0 0 3p6 6g -3p5 3d4p 195 PW 3D1724 -1571.8 0.0 0.0 -1571.8 -1964.8 0.800 FIXEDHF 0.800 0 0.0 0 196 PW 2E1724 -278.9 0.0 0.0 -278.9 -348.6 0.800 FIXEDHF 0.800 0 0.0 0 3p6 7g -3p5 3d4p 197 QW 3D1724 -1353.1 0.0 0.0 -1353.1 -1691.4 0.800 FIXEDHF 0.800 0 0.0 0 198 QW 2E1724 -242.5 0.0 0.0 -242.5 -303.1 0.800 FIXEDHF 0.800 0 0.0 0 3p6 8g -3p5 3d4p 199 RW 3D1724 -1156.1 0.0 0.0 -1156.1 -1445.1 0.800 FIXEDHF 0.800 0 0.0 0 200 RW 2E1724 -208.2 0.0 0.0 -208.2 -260.3 0.800 FIXEDHF 0.800 0 0.0 0 3p6 9g -3p5 3d4p 201 SW 3D1724 -994.2 0.0 0.0 -994.2 -1242.7 0.800 FIXEDHF 0.800 0 0.0 0 202 SW 2E1724 -179.6 0.0 0.0 -179.6 -224.5 0.800 FIXEDHF 0.800 0 0.0 0 3p5 3d4p -3p5 4s4p 203 WX 2D1213 6645.3 0.0 0.0 6645.3 8306.6 0.800 FIXEDHF 0.800 0 0.0 0 204 WX 1E1213 9340.2 0.0 0.0 9340.2 11675.3 0.800 FIXEDHF 0.800 0 0.0 0 205 WX 2D2434 -10086.2 0.0 0.0 -10086.2 -12607.8 0.800 FIXEDHF 0.800 0 0.0 0 206 WX 1E2434 -8594.7 0.0 0.0 -8594.7 -10743.4 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 0.5 19 FREE ITERATION 1 KURUCZ job terminated at 17-AUG-2015 11:37:58.12 Accounting information: Buffered I/O count: 172 Peak working set size: 9696 Direct I/O count: 302 Peak virtual size: 322592 Page faults: 2085 Mounted volumes: 0 Charged CPU time: 0 00:00:00.15 Elapsed time: 0 00:00:03.14