$ 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 1403 $SET VERIFY=NOIMAGE $ASSIGN B1403E.PUN FOR007 $ASSIGN H1403E.HAM FOR001 $ASSIGN EAV1403E.DAT FOR066 $ASSIGN B1403E.EIG FOR003 $ASSIGN POOLG:B1403E15 FOR015 $ASSIGN POOLG:B1403E16 FOR016 $RUN CRAY:LEAST3007 NPAR 263 NJ 7 FIRSTJ 0.5 1 p 6 s 1 p 0 s 0 d 0 g 0 i 0 s 0 2 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 3 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 4 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 5 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 6 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 7 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 8 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 9 p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 A p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 B p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 C p 6 s 0 p 0 s 1 d 0 g 0 i 0 s 0 D p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 E p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 F p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 G p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 H p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 I p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 J p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 K p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 L p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 M p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 N p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 O p 6 s 0 p 0 s 0 d 1 g 0 i 0 s 0 P p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 Q p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 R p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 S p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 T p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 U p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 V p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 W p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 X p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 Y p 6 s 0 p 0 s 0 d 0 g 1 i 0 s 0 Z p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 a p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 b p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 c p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 d p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 e p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 f p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 g p 6 s 0 p 0 s 0 d 0 g 0 i 1 s 0 h p 5 s 1 p 1 s 0 d 0 g 0 i 0 s 0 i p 5 s 0 p 1 s 0 d 1 g 0 i 0 s 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2S)2S 1 TOTAL 1 29 37 34 23 15 9 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 155 37 1 0 29 66 100 123 138 147 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155 0 1 2 3 Brilly, J., Kennedy, E.T., and Mosnier, J.P. 1990. Physica Scripta 41, 30-34. 4 Mosnier, J.P., Brilly, J., and Kennedy, E.T. 1988. J. de Physique Colloque C9, 219-222. 5 Martin, W.C. and Zalubas, R. 1983. J. Phys. Chem. Ref. Data 9, 1-58. 6 Toresson, Y. 1960. Ark. Fys. 17, 179-192. 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 23 15 9 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14.03 2p6 3s 2p6 4s 2p6 5s 2p6 6s 2p6 7s 2p6 8s 2p6 9s 2p6 10s 2p6 11s 2p6 12s 2p6 13s 2p6 14s 2p6 3d 2p6 4d 2p6 5d 2p6 6d 2p6 7d 2p6 8d 2p6 9d 2p6 10d 2p6 11d 2p6 12d 2p6 13d 2p6 14d 2p6 5g 2p6 6g 2p6 7g 2p6 8g 2p6 9g 2p6 10g 2p6 11g 2p6 12g 2p6 13g 2p6 14g 2p6 7i 2p6 8i 2p6 9i 2p6 10i 2p6 11i 2p6 12i 2p6 13i 2p6 14i 2p5 3s3p 2p5 3p3d SENORITY MIXING CORRECTIONS 0 0.5 0.00 3s 2S 3s 2S 0 0.5 193978.89 4s 2S 4s 2S 0 0.5 265417.95 5s 2S 5s 2S 0 0.5 299676.95 6s 2S 6s 2S 0 0.5 318742.79 7s 2S 7s 2S 0 0.5 330439.66 8s 2S 8s 2S 0 0.5 338130.49 R 9s 2S 9s 2S 0 0.5 343456.57 R 10s 2S 10s 2S 0 0.5 347296.91 R 11s 2S 11s 2S 0 0.5 350156.92 R 12s 2S 12s 2S 0 0.5 352344.01 R 13s 2S 13s 2S 0 0.5 354053.86 R 14s 2S 14s 2S 1 0.5 2p5.3s3p(3P) 4D 3s3p3P 4D 1 0.5 2p5.3s3p(3P) 4P 3s3p3P 4P 0 0.5 873700. 2p5.3s3p(3P) 2P 3s3p3P 2P 1 0.5 879300. 2p5.3s3p(3P) 2S 3s3p3P 2S 1 0.5 910100. 2p5.3s3p(1P) 2P 3s3p1P 2P 1 0.5 2p5.3s3p(1P) 2S 3s3p1P 2S 0 -1.0 0 1.5 160375.60 3d 2D 3d 2D 0 1.5 250008.14 4d 2D 4d 2D 0 1.5 291497.50 5d 2D 5d 2D 0 1.5 313914.92 6d 2D 6d 2D 0 1.5 327361.97 7d 2D 7d 2D 0 1.5 336051.55 8d 2D 8d 2D 0 1.5 341987.76 R 9d 2D 9d 2D 0 1.5 346221.37 R 10d 2D 10d 2D 0 1.5 349346.06 R 11d 2D 11d 2D 0 1.5 351717.72 R 12d 2D 12d 2D 0 1.5 353560.17 R 13d 2D 13d 2D 0 1.5 355019.87 R 14d 2D 14d 2D 1 1.5 2p5.3s3p(3P) 4S 3s3p3P 4S 1 1.5 2p5.3s3p(3P) 4D 3s3p3P 4D 0 1.5 869300. 2p5.3s3p(3P) 4P 3s3p3P 4P 0 1.5 871900. 2p5.3s3p(3P) 2D 3s3p3P 2D 0 1.5 875300. 2p5.3s3p(3P) 2P 3s3p3P 2P 1 1.5 2p5.3s3p(1P) 2D 3s3p1P 2D 1 1.5 2p5.3s3p(1P) 2P 3s3p1P 2P 0 -1.0 0 2.5 160374.41 3d 2D 3d 2D 0 2.5 250008.02 4d 2D 4d 2D 0 2.5 291497.60 5d 2D 5d 2D 0 2.5 313914.92 6d 2D 6d 2D 0 2.5 327361.97 7d 2D 7d 2D 0 2.5 336051.55 8d 2D 8d 2D 0 2.5 341987.76 R 9d 2D 9d 2D 0 2.5 346221.37 R 10d 2D 10d 2D 0 2.5 349346.06 R 11d 2D 11d 2D 0 2.5 351717.72 R 12d 2D 12d 2D 0 2.5 353560.17 R 13d 2D 13d 2D 0 2.5 355019.87 R 14d 2D 14d 2D 1 2.5 2p5.3s3p(3P) 4D 3s3p3P 4D 0 2.5 868100. 2p5.3s3p(3P) 4P 3s3p3P 4P 0 2.5 873600. 2p5.3s3p(3P) 2D 3s3p3P 2D 1 2.5 2p5.3s3p(1P) 2D 3s3p1P 2D 0 -1.0 0 3.5 293837.92 5g 2G 5g 2G 0 3.5 315305.28 6g 2G 6g 2G 0 3.5 328249.64 7g 2G 7g 2G 0 3.5 336650.69 8g 2G 8g 2G 0 3.5 342410.42 R 9g 2G 9g 2G 0 3.5 346530.34 R 10g 2G 10g 2G 0 3.5 349578.60 R 11g 2G 11g 2G 0 3.5 351897.05 R 12g 2G 12g 2G 0 3.5 353701.33 R 13g 2G 13g 2G 0 3.5 355132.96 R 14g 2G 14g 2G 1 3.5 2p5.3s3p(3P) 4D 3s3p3P 4D 0 -1.0 0 4.5 293837.92 5g 2G 5g 2G 0 4.5 315305.28 6g 2G 6g 2G 0 4.5 328249.64 7g 2G 7g 2G 0 4.5 336650.69 8g 2G 8g 2G 0 4.5 342410.42 R 9g 2G 9g 2G 0 4.5 346530.34 R 10g 2G 10g 2G 0 4.5 349578.60 R 11g 2G 11g 2G 0 4.5 351897.05 R 12g 2G 12g 2G 0 4.5 353701.33 R 13g 2G 13g 2G 0 4.5 355132.96 R 14g 2G 14g 2G 0 -1.0 0 5.5 328260.76 7i 2I 7i 2I 0 5.5 336658.26 P 8i 2I 8i 2I 0 5.5 342416.23 R 9i 2I 9i 2I 0 5.5 346534.87 R 10i 2I 10i 2I 0 5.5 349582.19 R 11i 2I 11i 2I 0 5.5 351899.93 R 12i 2I 12i 2I 0 5.5 353703.67 R 13i 2I 13i 2I 0 5.5 355134.88 R 14i 2I 14i 2I 0 -1.0 0 6.5 328260.76 7i 2I 7i 2I 0 6.5 336658.26 P 8i 2I 8i 2I 0 6.5 342416.23 R 9i 2I 9i 2I 0 6.5 346534.87 R 10i 2I 10i 2I 0 6.5 349582.19 R 11i 2I 11i 2I 0 6.5 351899.93 R 12i 2I 12i 2I 0 6.5 353703.67 R 13i 2I 13i 2I 0 6.5 355134.88 R 14i 2I 14i 2I 263 69.3 43 LEAST SQUARES 1 1 EAV 2633.8 70.0 0.0 1.000 0 2970.0 0 2p6 3s 2 2 EAV 194054.5 69.0 196564.4 1.000 0 -2970.0 0 2p6 4s 3 3 EAV 265448.2 69.0 268272.9 1.000 0 -2970.0 0 2p6 5s 4 4 EAV 299692.4 69.0 302598.2 1.000 0 -2970.0 0 2p6 6s 5 5 EAV 318751.8 69.0 321687.3 1.000 0 -2970.0 0 2p6 7s 6 6 EAV 330445.4 69.0 333395.4 1.000 0 -2970.0 0 2p6 8s 7 7 EAV 338134.3 69.0 341091.4 1.000 0 -2970.0 0 2p6 9s 8 8 EAV 343459.3 69.0 346420.0 1.000 0 -2970.0 0 2p6 10s 9 9 EAV 347298.9 69.0 350263.3 1.000 0 -2970.0 0 2p6 11s 10 A EAV 350158.4 69.0 353124.9 1.000 0 -2970.0 0 2p6 12s 11 B EAV 352345.2 69.0 355312.0 1.000 0 -2970.0 0 2p6 13s 12 C EAV 354054.8 69.0 357022.1 1.000 0 -2970.0 0 2p6 14s 13 D EAV 162706.2 49.0 162040.1 1.000 0 -2970.0 0 2p6 3d 14 D ZETA 5 5.4 0.0 5.4 FIXEDHF 1.000 0 0.0 0 15 E EAV 250048.3 49.0 252847.8 1.000 0 -2970.0 0 2p6 4d 16 E ZETA 5 2.5 0.0 2.5 FIXEDHF 1.000 0 0.0 0 17 F EAV 291514.7 49.0 294448.1 1.000 0 -2970.0 0 2p6 5d 18 F ZETA 5 1.3 0.0 1.3 FIXEDHF 1.000 0 0.0 0 19 G EAV 313923.9 49.0 316883.2 1.000 0 -2970.0 0 2p6 6d 20 G ZETA 5 0.8 0.0 0.8 FIXEDHF 1.000 0 0.0 0 21 H EAV 327367.3 49.0 330333.2 1.000 0 -2970.0 0 2p6 7d 22 H ZETA 5 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 23 I EAV 336054.9 49.0 339023.3 1.000 0 -2970.0 0 2p6 8d 24 I ZETA 5 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 25 J EAV 341990.1 49.0 344959.7 1.000 0 -2970.0 0 2p6 9d 26 J ZETA 5 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 27 K EAV 346223.0 49.0 349193.6 1.000 0 -2970.0 0 2p6 10d 28 K ZETA 5 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 29 L EAV 349347.3 49.0 352316.9 1.000 0 -2970.0 0 2p6 11d 30 L ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 31 M EAV 351718.6 49.0 354688.8 1.000 0 -2970.0 0 2p6 12d 32 M ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 33 N EAV 353560.9 49.0 356531.4 1.000 0 -2970.0 0 2p6 13d 34 N ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 35 O EAV 355020.5 49.0 357992.4 1.000 0 -2970.0 0 2p6 14d 36 O ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 37 P EAV 293838.0 49.0 296791.4 1.000 0 -2970.0 0 2p6 5g 38 P ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 39 Q EAV 315305.3 49.0 318257.2 1.000 0 -2970.0 0 2p6 6g 40 Q ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 41 R EAV 328249.7 49.0 331205.3 1.000 0 -2970.0 0 2p6 7g 42 R ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 43 S EAV 336650.7 49.0 339610.9 1.000 0 -2970.0 0 2p6 8g 44 S ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 45 T EAV 342410.4 49.0 345373.7 1.000 0 -2970.0 0 2p6 9g 46 T ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 U EAV 346530.3 49.0 349495.6 1.000 0 -2970.0 0 2p6 10g 48 U ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 V EAV 349578.6 49.0 352544.4 1.000 0 -2970.0 0 2p6 11g 50 V ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 W EAV 351897.1 49.0 354864.7 1.000 0 -2970.0 0 2p6 12g 52 W ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 X EAV 353701.3 49.0 356669.8 1.000 0 -2970.0 0 2p6 13g 54 X ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 Y EAV 355133.0 49.0 358102.9 1.000 0 -2970.0 0 2p6 14g 56 Y ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 Z EAV 328260.8 49.0 331231.3 1.000 0 -2970.0 0 2p6 7i 58 Z ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 a EAV 336658.3 49.0 339629.4 1.000 0 -2970.0 0 2p6 8i 60 a ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 b EAV 342416.2 49.0 345387.3 1.000 0 -2970.0 0 2p6 9i 62 b ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 c EAV 346534.9 49.0 349505.8 1.000 0 -2970.0 0 2p6 10i 64 c ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 d EAV 349582.2 49.0 352553.5 1.000 0 -2970.0 0 2p6 11i 66 d ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 e EAV 351899.9 49.0 354871.7 1.000 0 -2970.0 0 2p6 12i 68 e ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 f EAV 353703.7 49.0 356674.5 1.000 0 -2970.0 0 2p6 13i 70 f ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 g EAV 355134.9 49.0 358106.0 1.000 0 -2970.0 0 2p6 14i 72 g ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 h EAV 879337.3 28.0 871480.0 1.000 0 8000.0 0 2p5 3s3p 74 h ZETA 1 3425.5 0.0 3425.5 FIXEDHF 1.000 0 0.0 0 75 h ZETA 3 398.7 0.0 398.7 FIXEDHF 1.000 0 0.0 0 76 h F2(13) 21734.2 0.0 27167.8 FIXEDHF 0.800 0 0.0 0 77 h G1(12) 10418.9 0.0 13023.6 FIXEDHF 0.800 0 0.0 0 78 h G0(13) 10642.5 0.0 13303.1 FIXEDHF 0.800 0 0.0 0 79 h G2(13) 9610.2 0.0 12012.7 FIXEDHF 0.800 0 0.0 0 80 h G1(23) 58275.0 0.0 72843.8 FIXEDHF 0.800 0 0.0 0 81 i EAV 1061620.1 0.0 1053620.1 FIXEDHF 1.000 0 8000.0 0 2p5 3p3d 82 i ZETA 1 3445.1 0.0 3445.1 FIXEDHF 1.000 0 0.0 0 83 i ZETA 3 408.5 0.0 408.5 FIXEDHF 1.000 0 0.0 0 84 i ZETA 5 10.6 0.0 10.6 FIXEDHF 1.000 0 0.0 0 85 i F2(13) 22087.1 0.0 27608.9 FIXEDHF 0.800 0 0.0 0 86 i F2(15) 15750.7 0.0 19688.4 FIXEDHF 0.800 0 0.0 0 87 i F2(35) 39792.2 0.0 49740.2 FIXEDHF 0.800 0 0.0 0 88 i G0(13) 10767.2 0.0 13459.0 FIXEDHF 0.800 0 0.0 0 89 i G2(13) 9765.3 0.0 12206.6 FIXEDHF 0.800 0 0.0 0 90 i G1(15) 9618.8 0.0 12023.5 FIXEDHF 0.800 0 0.0 0 91 i G3(15) 5434.1 0.0 6792.6 FIXEDHF 0.800 0 0.0 0 92 i G1(35) 49489.7 0.0 61862.1 FIXEDHF 0.800 0 0.0 0 93 i G3(35) 30689.5 0.0 38361.9 FIXEDHF 0.800 0 0.0 0 94 1h 0D1113 5762.6 0.0 7203.3 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3s3p 95 1h 2D1113 25430.5 0.0 31788.1 FIXEDHF 0.800 0 0.0 0 96 1h 1D1223 -5748.8 0.0 -7186.0 FIXEDHF 0.800 0 0.0 0 97 1h 0E1223 -837.0 0.0 -1046.3 FIXEDHF 0.800 0 0.0 0 98 1i 2D1235 -7601.8 0.0 -9502.2 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3p3d 99 1i 1E1235 -17467.0 0.0 -21833.8 FIXEDHF 0.800 0 0.0 0 100 2h 1D1423 -370.6 0.0 -463.2 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3s3p 101 2h 0E1423 2271.9 0.0 2839.9 FIXEDHF 0.800 0 0.0 0 102 2i 2D1435 -2171.1 0.0 -2713.9 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3p3d 103 2i 1E1435 -4986.4 0.0 -6233.0 FIXEDHF 0.800 0 0.0 0 104 3h 1D1423 35.1 0.0 43.9 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3s3p 105 3h 0E1423 1477.5 0.0 1846.9 FIXEDHF 0.800 0 0.0 0 106 3i 2D1435 -1216.0 0.0 -1520.0 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3p3d 107 3i 1E1435 -2789.8 0.0 -3487.2 FIXEDHF 0.800 0 0.0 0 108 4h 1D1423 103.4 0.0 129.2 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3s3p 109 4h 0E1423 1061.0 0.0 1326.2 FIXEDHF 0.800 0 0.0 0 110 4i 2D1435 -816.0 0.0 -1020.0 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3p3d 111 4i 1E1435 -1876.3 0.0 -2345.4 FIXEDHF 0.800 0 0.0 0 112 5h 1D1423 109.4 0.0 136.8 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3s3p 113 5h 0E1423 810.2 0.0 1012.7 FIXEDHF 0.800 0 0.0 0 114 5i 2D1435 -600.6 0.0 -750.7 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3p3d 115 5i 1E1435 -1383.4 0.0 -1729.3 FIXEDHF 0.800 0 0.0 0 116 6h 1D1423 101.4 0.0 126.8 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3s3p 117 6h 0E1423 645.0 0.0 806.3 FIXEDHF 0.800 0 0.0 0 118 6i 2D1435 -467.6 0.0 -584.5 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3p3d 119 6i 1E1435 -1078.6 0.0 -1348.2 FIXEDHF 0.800 0 0.0 0 120 7h 1D1423 90.8 0.0 113.5 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3s3p 121 7h 0E1423 529.5 0.0 661.9 FIXEDHF 0.800 0 0.0 0 122 7i 2D1435 -378.2 0.0 -472.7 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3p3d 123 7i 1E1435 -873.2 0.0 -1091.5 FIXEDHF 0.800 0 0.0 0 124 8h 1D1423 80.6 0.0 100.8 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3s3p 125 8h 0E1423 444.9 0.0 556.1 FIXEDHF 0.800 0 0.0 0 126 8i 2D1435 -314.5 0.0 -393.1 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3p3d 127 8i 1E1435 -726.6 0.0 -908.3 FIXEDHF 0.800 0 0.0 0 128 9h 1D1423 71.7 0.0 89.6 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3s3p 129 9h 0E1423 380.6 0.0 475.8 FIXEDHF 0.800 0 0.0 0 130 9i 2D1435 -267.1 0.0 -333.9 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3p3d 131 9i 1E1435 -617.5 0.0 -771.9 FIXEDHF 0.800 0 0.0 0 132 Ah 1D1423 63.9 0.0 79.9 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3s3p 133 Ah 0E1423 330.6 0.0 413.2 FIXEDHF 0.800 0 0.0 0 134 Ai 2D1435 -230.6 0.0 -288.3 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3p3d 135 Ai 1E1435 -533.4 0.0 -666.8 FIXEDHF 0.800 0 0.0 0 136 Bh 1D1423 57.4 0.0 71.7 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3s3p 137 Bh 0E1423 290.6 0.0 363.2 FIXEDHF 0.800 0 0.0 0 138 Bi 2D1435 -201.9 0.0 -252.4 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3p3d 139 Bi 1E1435 -467.0 0.0 -583.8 FIXEDHF 0.800 0 0.0 0 140 Ch 1D1423 51.8 0.0 64.7 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3s3p 141 Ch 0E1423 258.1 0.0 322.6 FIXEDHF 0.800 0 0.0 0 142 Ci 2D1435 -178.7 0.0 -223.4 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3p3d 143 Ci 1E1435 -413.5 0.0 -516.9 FIXEDHF 0.800 0 0.0 0 144 Dh 1D1523 -7207.5 0.0 -9009.4 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3s3p 145 Dh 2E1523 -6649.2 0.0 -8311.5 FIXEDHF 0.800 0 0.0 0 146 Di 0D1113 5791.4 0.0 7239.3 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3p3d 147 Di 2D1113 25589.5 0.0 31986.9 FIXEDHF 0.800 0 0.0 0 148 Di 0D1535 -1064.8 0.0 -1331.0 FIXEDHF 0.800 0 0.0 0 149 Di 2D1535 -5661.4 0.0 -7076.7 FIXEDHF 0.800 0 0.0 0 150 Di 1E1535 -13044.5 0.0 -16305.6 FIXEDHF 0.800 0 0.0 0 151 Di 3E1535 -5708.9 0.0 -7136.1 FIXEDHF 0.800 0 0.0 0 152 Eh 1D1523 -3249.0 0.0 -4061.2 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3s3p 153 Eh 2E1523 -3549.1 0.0 -4436.4 FIXEDHF 0.800 0 0.0 0 154 Ei 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3p3d 155 Ei 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 156 Ei 0D1535 1005.5 0.0 1256.9 FIXEDHF 0.800 0 0.0 0 157 Ei 2D1535 -2604.2 0.0 -3255.3 FIXEDHF 0.800 0 0.0 0 158 Ei 1E1535 -5978.4 0.0 -7473.0 FIXEDHF 0.800 0 0.0 0 159 Ei 3E1535 -3106.5 0.0 -3883.1 FIXEDHF 0.800 0 0.0 0 160 Fh 1D1523 -1939.4 0.0 -2424.3 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3s3p 161 Fh 2E1523 -2261.5 0.0 -2826.9 FIXEDHF 0.800 0 0.0 0 162 Fi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3p3d 163 Fi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 164 Fi 0D1535 720.5 0.0 900.6 FIXEDHF 0.800 0 0.0 0 165 Fi 2D1535 -1564.1 0.0 -1955.1 FIXEDHF 0.800 0 0.0 0 166 Fi 1E1535 -3575.2 0.0 -4469.0 FIXEDHF 0.800 0 0.0 0 167 Fi 3E1535 -1990.4 0.0 -2488.0 FIXEDHF 0.800 0 0.0 0 168 Gh 1D1523 -1331.0 0.0 -1663.8 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3s3p 169 Gh 2E1523 -1604.9 0.0 -2006.1 FIXEDHF 0.800 0 0.0 0 170 Gi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3p3d 171 Gi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 172 Gi 0D1535 545.0 0.0 681.3 FIXEDHF 0.800 0 0.0 0 173 Gi 2D1535 -1074.7 0.0 -1343.4 FIXEDHF 0.800 0 0.0 0 174 Gi 1E1535 -2451.2 0.0 -3064.0 FIXEDHF 0.800 0 0.0 0 175 Gi 3E1535 -1415.1 0.0 -1768.9 FIXEDHF 0.800 0 0.0 0 176 Hh 1D1523 -990.7 0.0 -1238.4 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3s3p 177 Hh 2E1523 -1218.2 0.0 -1522.8 FIXEDHF 0.800 0 0.0 0 178 Hi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3p3d 179 Hi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 180 Hi 0D1535 430.0 0.0 537.5 FIXEDHF 0.800 0 0.0 0 181 Hi 2D1535 -799.8 0.0 -999.8 FIXEDHF 0.800 0 0.0 0 182 Hi 1E1535 -1822.1 0.0 -2277.6 FIXEDHF 0.800 0 0.0 0 183 Hi 3E1535 -1075.0 0.0 -1343.8 FIXEDHF 0.800 0 0.0 0 184 Ih 1D1523 -777.1 0.0 -971.4 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3s3p 185 Ih 2E1523 -967.7 0.0 -1209.6 FIXEDHF 0.800 0 0.0 0 186 Ii 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3p3d 187 Ii 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 188 Ii 0D1535 350.2 0.0 437.7 FIXEDHF 0.800 0 0.0 0 189 Ii 2D1535 -627.1 0.0 -783.9 FIXEDHF 0.800 0 0.0 0 190 Ii 1E1535 -1427.5 0.0 -1784.4 FIXEDHF 0.800 0 0.0 0 191 Ii 3E1535 -854.2 0.0 -1067.7 FIXEDHF 0.800 0 0.0 0 192 Jh 1D1523 -632.1 0.0 -790.1 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3s3p 193 Jh 2E1523 -793.9 0.0 -992.4 FIXEDHF 0.800 0 0.0 0 194 Ji 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3p3d 195 Ji 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 196 Ji 0D1535 292.2 0.0 365.3 FIXEDHF 0.800 0 0.0 0 197 Ji 2D1535 -509.8 0.0 -637.3 FIXEDHF 0.800 0 0.0 0 198 Ji 1E1535 -1160.0 0.0 -1450.0 FIXEDHF 0.800 0 0.0 0 199 Ji 3E1535 -700.9 0.0 -876.1 FIXEDHF 0.800 0 0.0 0 200 Kh 1D1523 -528.1 0.0 -660.1 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3s3p 201 Kh 2E1523 -667.4 0.0 -834.2 FIXEDHF 0.800 0 0.0 0 202 Ki 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3p3d 203 Ki 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 204 Ki 0D1535 248.7 0.0 310.9 FIXEDHF 0.800 0 0.0 0 205 Ki 2D1535 -425.8 0.0 -532.2 FIXEDHF 0.800 0 0.0 0 206 Ki 1E1535 -968.3 0.0 -1210.4 FIXEDHF 0.800 0 0.0 0 207 Ki 3E1535 -589.2 0.0 -736.5 FIXEDHF 0.800 0 0.0 0 208 Lh 1D1523 -450.2 0.0 -562.8 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3s3p 209 Lh 2E1523 -571.6 0.0 -714.5 FIXEDHF 0.800 0 0.0 0 210 Li 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3p3d 211 Li 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 212 Li 0D1535 215.0 0.0 268.7 FIXEDHF 0.800 0 0.0 0 213 Li 2D1535 -362.9 0.0 -453.6 FIXEDHF 0.800 0 0.0 0 214 Li 1E1535 -825.0 0.0 -1031.3 FIXEDHF 0.800 0 0.0 0 215 Li 3E1535 -504.6 0.0 -630.8 FIXEDHF 0.800 0 0.0 0 216 Mh 1D1523 -390.1 0.0 -487.6 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3s3p 217 Mh 2E1523 -497.0 0.0 -621.3 FIXEDHF 0.800 0 0.0 0 218 Mi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3p3d 219 Mi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 220 Mi 0D1535 188.2 0.0 235.3 FIXEDHF 0.800 0 0.0 0 221 Mi 2D1535 -314.3 0.0 -392.9 FIXEDHF 0.800 0 0.0 0 222 Mi 1E1535 -714.6 0.0 -893.2 FIXEDHF 0.800 0 0.0 0 223 Mi 3E1535 -438.8 0.0 -548.5 FIXEDHF 0.800 0 0.0 0 224 Nh 1D1523 -342.5 0.0 -428.1 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3s3p 225 Nh 2E1523 -437.5 0.0 -546.9 FIXEDHF 0.800 0 0.0 0 226 Ni 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3p3d 227 Ni 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 228 Ni 0D1535 166.6 0.0 208.2 FIXEDHF 0.800 0 0.0 0 229 Ni 2D1535 -275.8 0.0 -344.8 FIXEDHF 0.800 0 0.0 0 230 Ni 1E1535 -627.0 0.0 -783.8 FIXEDHF 0.800 0 0.0 0 231 Ni 3E1535 -386.2 0.0 -482.8 FIXEDHF 0.800 0 0.0 0 232 Oh 1D1523 -303.9 0.0 -379.9 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3s3p 233 Oh 2E1523 -389.1 0.0 -486.4 FIXEDHF 0.800 0 0.0 0 234 Oi 0D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3p3d 235 Oi 2D1113 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 236 Oi 0D1535 148.8 0.0 186.0 FIXEDHF 0.800 0 0.0 0 237 Oi 2D1535 -244.8 0.0 -306.0 FIXEDHF 0.800 0 0.0 0 238 Oi 1E1535 -556.2 0.0 -695.3 FIXEDHF 0.800 0 0.0 0 239 Oi 3E1535 -343.5 0.0 -429.4 FIXEDHF 0.800 0 0.0 0 240 Pi 2D1635 -421.7 0.0 -527.1 FIXEDHF 0.800 0 0.0 0 2p6 5g -2p5 3p3d 241 Pi 3E1635 -266.4 0.0 -333.0 FIXEDHF 0.800 0 0.0 0 242 Qi 2D1635 -402.8 0.0 -503.5 FIXEDHF 0.800 0 0.0 0 2p6 6g -2p5 3p3d 243 Qi 3E1635 -265.3 0.0 -331.6 FIXEDHF 0.800 0 0.0 0 244 Ri 2D1635 -353.0 0.0 -441.3 FIXEDHF 0.800 0 0.0 0 2p6 7g -2p5 3p3d 245 Ri 3E1635 -238.0 0.0 -297.5 FIXEDHF 0.800 0 0.0 0 246 Si 2D1635 -305.3 0.0 -381.6 FIXEDHF 0.800 0 0.0 0 2p6 8g -2p5 3p3d 247 Si 3E1635 -208.8 0.0 -261.0 FIXEDHF 0.800 0 0.0 0 248 Ti 2D1635 -264.8 0.0 -331.0 FIXEDHF 0.800 0 0.0 0 2p6 9g -2p5 3p3d 249 Ti 3E1635 -182.9 0.0 -228.6 FIXEDHF 0.800 0 0.0 0 250 Ui 2D1635 -231.4 0.0 -289.2 FIXEDHF 0.800 0 0.0 0 2p6 10g -2p5 3p3d 251 Ui 3E1635 -160.9 0.0 -201.1 FIXEDHF 0.800 0 0.0 0 252 Vi 2D1635 -203.8 0.0 -254.8 FIXEDHF 0.800 0 0.0 0 2p6 11g -2p5 3p3d 253 Vi 3E1635 -142.5 0.0 -178.1 FIXEDHF 0.800 0 0.0 0 254 Wi 2D1635 -181.1 0.0 -226.4 FIXEDHF 0.800 0 0.0 0 2p6 12g -2p5 3p3d 255 Wi 3E1635 -127.0 0.0 -158.8 FIXEDHF 0.800 0 0.0 0 256 Xi 2D1635 -162.2 0.0 -202.7 FIXEDHF 0.800 0 0.0 0 2p6 13g -2p5 3p3d 257 Xi 3E1635 -114.1 0.0 -142.6 FIXEDHF 0.800 0 0.0 0 258 Yi 2D1635 -146.2 0.0 -182.7 FIXEDHF 0.800 0 0.0 0 2p6 14g -2p5 3p3d 259 Yi 3E1635 -103.0 0.0 -128.8 FIXEDHF 0.800 0 0.0 0 260 hi 2D1215 9510.6 0.0 11888.3 FIXEDHF 0.800 0 0.0 0 2p5 3s3p -2p5 3p3d 261 hi 1E1215 -2435.5 0.0 -3044.4 FIXEDHF 0.800 0 0.0 0 262 hi 1D2335 52890.1 0.0 66112.6 FIXEDHF 0.800 0 0.0 0 263 hi 2E2335 40143.6 0.0 50179.5 FIXEDHF 0.800 0 0.0 0 14.03 J 0.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.00 0.000 0.0 2.002 3s 2S 0.999 1(2S)2S 1 0.041 h(3P)2S 18 2 193978.89 193978.850 0.0 2.002 4s 2S -1.000 2(2S)2S 2 3 265417.95 265417.903 0.0 2.002 5s 2S 1.000 3(2S)2S 3 4 299676.95 299676.919 0.0 2.002 6s 2S 1.000 4(2S)2S 4 5 318742.79 318742.782 0.0 2.002 7s 2S 1.000 5(2S)2S 5 6 330439.66 330439.679 0.0 2.002 8s 2S -1.000 6(2S)2S 6 7 338130.49 R 338130.442 0.0 2.002 9s 2S -1.000 7(2S)2S 7 8 343456.57 R 343456.575 0.0 2.002 10s 2S -1.000 8(2S)2S 8 9 347296.91 R 347296.904 0.0 2.002 11s 2S -1.000 9(2S)2S 9 10 350156.92 R 350156.894 0.0 2.002 12s 2S -1.000 A(2S)2S 10 11 352344.01 R 352344.036 0.0 2.002 13s 2S 1.000 B(2S)2S 11 12 354053.86 R 354053.882 0.0 2.002 14s 2S -1.000 C(2S)2S 12 13 865325.301 0.117 3s3p3P 4D -0.956 h(3P)4D 13 0.184 h(1P)2P 15 0.180 h(3P)4P 14 14 870104.647 2.510 3s3p3P 4P 0.960 h(3P)4P 14 0.210 h(3P)4D 13 -0.114 h(1P)2S 17 15 873700. 873760.905 60.9 0.701 3s3p3P 2P -0.786 h(1P)2P 15 -0.558 h(3P)2P 16 -0.190 h(3P)4D 13 16 879300. 883677.242 1.998 3s3p3P 2S -0.937 h(1P)2S 17 0.277 h(3P)2S 18 -0.124 h(3P)4P 14 17 910100. 904507.545 0.680 3s3p1P 2P -0.797 h(3P)2P 16 0.559 h(1P)2P 15 -0.161 i(3D)2P 27 18 933972.950 1.999 3s3p1P 2S 0.941 h(3P)2S 18 0.281 h(1P)2S 17 0.169 i(3D)2S 29 19 1037334.320 -0.002 0.817 i(3S)4D 19 0.489 i(3P)4D 20 0.302 i(3D)4D 21 20 1049415.142 0.665 -0.661 i(3P)2P 26 0.501 i(1P)2P 24 0.394 i(1D)2P 25 14.03 J 1.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 160375.60 160368.585 -7.0 0.800 3d 2D 0.999 D(1S)2D 1 -0.048 i(1S)2D 28 2 250008.14 250004.972 -3.2 0.800 4d 2D -1.000 E(1S)2D 2 3 291497.50 291495.957 -1.5 0.800 5d 2D 1.000 F(1S)2D 3 4 313914.92 313913.955 -1.0 0.800 6d 2D -1.000 G(1S)2D 4 5 327361.97 327361.392 -0.6 0.800 7d 2D 1.000 H(1S)2D 5 6 336051.55 336051.142 -0.4 0.800 8d 2D -1.000 I(1S)2D 6 7 341987.76 R 341987.547 -0.2 0.800 9d 2D 1.000 J(1S)2D 7 8 346221.37 R 346221.094 -0.3 0.800 10d 2D -1.000 K(1S)2D 8 9 349346.06 R 349345.965 -0.1 0.800 11d 2D 1.000 L(1S)2D 9 10 351717.72 R 351717.549 -0.2 0.800 12d 2D -1.000 M(1S)2D 10 11 353560.17 R 353560.050 -0.1 0.800 13d 2D 1.000 N(1S)2D 11 12 355019.87 R 355019.794 -0.1 0.800 14d 2D -1.000 O(1S)2D 12 13 855085.108 1.995 3s3p3P 4S 0.986 h(3P)4S 15 -0.132 h(3P)4P 14 0.080 i(3D)4S 27 14 864190.506 1.211 3s3p3P 4D 0.937 h(3P)4D 13 -0.225 h(3P)4P 14 0.184 h(1P)2D 16 15 869300. 869252.400 -47.6 1.514 3s3p3P 4P -0.838 h(3P)4P 14 -0.379 h(1P)2D 16 -0.231 h(3P)2D 17 16 871900. 871974.701 74.7 1.001 3s3p3P 2D -0.728 h(1P)2D 16 -0.448 h(3P)2D 17 0.415 h(3P)4P 14 17 875300. 875008.370 -291.6 1.350 3s3p3P 2P -0.767 h(1P)2P 18 -0.560 h(3P)2P 19 0.231 h(3P)4P 14 18 900028.232 1.069 3s3p1P 2D -0.589 h(3P)2D 17 0.559 h(3P)2P 19 -0.412 h(1P)2P 18 19 903865.911 1.065 3s3p1P 2P 0.592 h(3P)2D 17 0.558 h(3P)2P 19 -0.406 h(1P)2P 18 20 1037766.760 1.194 -0.821 i(3S)4D 22 -0.474 i(3P)4D 23 -0.302 i(3D)4D 24 J 1.5 21 1045637.957 0.848 -0.631 i(3S)2D 31 0.493 i(3D)2D 33 -0.319 i(1D)2D 30 22 1050430.924 0.486 -0.709 i(3P)4F 20 -0.618 i(3D)4F 21 -0.173 i(3P)2P 36 23 1052767.211 1.216 0.570 i(3P)2P 36 -0.459 i(1P)2P 34 -0.385 i(1D)2P 35 24 1056045.366 1.916 -0.835 i(3D)4S 27 0.531 i(3D)4P 26 -0.069 i(3D)4D 24 25 1057981.957 1.762 0.762 i(3D)4P 26 0.505 i(3D)4S 27 0.279 i(3P)4P 25 26 1059781.124 1.162 0.687 i(3P)4D 23 -0.499 i(3S)4D 22 0.344 i(3D)4D 24 27 1061273.375 0.852 0.785 i(1P)2D 29 0.434 i(3P)2D 32 -0.240 i(3D)4D 24 28 1063295.593 0.906 -0.551 i(3D)4D 24 0.415 i(3P)4D 23 -0.391 i(1D)2D 30 29 1065145.408 0.801 -0.562 i(3D)4D 24 -0.537 i(3D)4F 21 0.453 i(3P)4F 20 30 1067155.093 1.052 0.504 i(1D)2D 30 0.417 i(1D)2P 35 -0.376 i(3P)4P 25 31 1068331.051 1.260 0.605 i(3P)4P 25 0.479 i(1D)2D 30 0.260 i(3D)2D 33 32 1069031.808 1.469 0.555 i(3P)4P 25 -0.533 i(1P)2P 34 -0.350 i(3P)2P 36 33 1073160.890 1.343 -0.519 i(1D)2P 35 -0.493 i(3P)2P 36 -0.486 i(1P)2P 34 34 1075801.445 0.805 0.673 i(3S)2D 31 0.525 i(3D)2D 33 -0.318 i(1D)2D 30 35 1092016.941 1.187 -0.614 i(3D)2P 37 -0.432 i(3P)2D 32 0.369 i(3P)2P 36 36 1095746.274 0.945 -0.685 i(3P)2D 32 0.379 i(3D)2P 37 0.329 i(1P)2D 29 37 1120228.927 0.800 -0.969 i(1S)2D 28 0.163 i(3D)2D 33 0.147 i(3S)2D 31 14.03 J 2.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 160374.41 160381.405 7.0 1.200 3d 2D 0.999 D(1S)2D 1 -0.048 i(1S)2D 29 2 250008.02 250011.196 3.2 1.200 4d 2D -1.000 E(1S)2D 2 3 291497.60 291499.194 1.6 1.200 5d 2D 1.000 F(1S)2D 3 4 313914.92 313915.948 1.0 1.200 6d 2D -1.000 G(1S)2D 4 5 327361.97 327362.638 0.7 1.200 7d 2D 1.000 H(1S)2D 5 6 336051.55 336051.889 0.3 1.200 8d 2D 1.000 I(1S)2D 6 7 341987.76 R 341988.046 0.3 1.200 9d 2D -1.000 J(1S)2D 7 8 346221.37 R 346221.593 0.2 1.200 10d 2D -1.000 K(1S)2D 8 9 349346.06 R 349346.214 0.2 1.200 11d 2D 1.000 L(1S)2D 9 10 351717.72 R 351717.799 0.1 1.200 12d 2D -1.000 M(1S)2D 10 11 353560.17 R 353560.299 0.1 1.200 13d 2D -1.000 N(1S)2D 11 12 355019.87 R 355020.044 0.2 1.200 14d 2D 1.000 O(1S)2D 12 13 863038.240 1.377 3s3p3P 4D 0.954 h(3P)4D 13 -0.219 h(3P)4P 14 0.159 h(1P)2D 15 14 868100. 868042.681 -57.3 1.554 3s3p3P 4P -0.932 h(3P)4P 14 -0.276 h(1P)2D 15 -0.170 h(3P)2D 16 15 873600. 873861.228 261.2 1.243 3s3p3P 2D -0.777 h(1P)2D 15 -0.500 h(3P)2D 16 0.281 h(3P)4P 14 16 897709.818 1.200 3s3p1P 2D -0.825 h(3P)2D 16 0.532 h(1P)2D 15 0.121 i(3P)2D 33 17 1038500.681 1.364 0.826 i(3S)4D 20 0.447 i(3P)4D 21 0.304 i(3D)4D 22 18 1044319.527 0.617 -0.935 i(3D)4G 17 0.182 i(1P)2F 25 0.163 i(3P)4F 18 19 1044767.468 1.161 -0.645 i(3S)2D 32 0.508 i(3D)2D 34 -0.337 i(1D)2D 31 20 1050494.376 0.929 -0.544 i(3P)4F 18 -0.478 i(3D)4F 19 -0.451 i(3D)2F 28 J 2.5 21 1051127.066 0.959 0.504 i(1P)2F 25 0.499 i(3D)2F 28 -0.466 i(3P)4F 18 22 1053131.445 0.863 -0.626 i(3P)2F 27 -0.592 i(1D)2F 26 0.340 i(3D)2F 28 23 1057310.455 1.583 -0.957 i(3D)4P 24 0.206 i(3D)4D 22 -0.135 i(3P)4P 23 24 1059135.278 1.352 0.743 i(3P)4D 21 -0.480 i(3S)4D 20 0.302 i(3D)4D 22 25 1061163.276 1.232 0.760 i(1P)2D 30 0.426 i(3P)2D 33 -0.316 i(3D)4D 22 26 1062461.462 1.207 -0.518 i(3D)4D 22 0.439 i(3D)4F 19 0.406 i(3P)4D 21 27 1063287.043 1.073 -0.487 i(3D)4D 22 -0.428 i(1D)2F 26 -0.398 i(3D)4F 19 28 1066808.560 1.025 -0.504 i(1D)2F 26 0.382 i(3D)4F 19 0.381 i(1P)2F 25 29 1068683.723 1.374 0.680 i(3P)4P 23 0.484 i(1D)2D 31 0.228 i(3D)2D 34 30 1069179.915 1.375 -0.656 i(3P)4P 23 0.548 i(1D)2D 31 0.416 i(3D)2D 34 31 1076139.921 1.200 0.683 i(3S)2D 32 0.544 i(3D)2D 34 -0.349 i(1D)2D 31 32 1090766.608 0.997 -0.557 i(3P)2F 27 0.520 i(3P)2D 33 -0.354 i(3D)2F 28 33 1093742.627 1.065 0.652 i(3P)2D 33 0.451 i(3P)2F 27 -0.332 i(1P)2D 30 34 1120514.748 1.200 -0.966 i(1S)2D 29 0.150 i(3S)2D 32 0.150 i(3D)2D 34 14.03 J 3.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 293837.92 293837.477 -0.4 0.889 5g 2G 1.000 P(1S)2G 1 2 315305.28 315305.028 -0.3 0.889 6g 2G 1.000 Q(1S)2G 2 3 328249.64 328249.433 -0.2 0.889 7g 2G -1.000 R(1S)2G 3 4 336650.69 336650.437 -0.3 0.889 8g 2G -1.000 S(1S)2G 4 5 342410.42 R 342410.390 0.0 0.889 9g 2G 1.000 T(1S)2G 5 6 346530.34 R 346530.292 0.0 0.889 10g 2G -1.000 U(1S)2G 6 7 349578.60 R 349578.594 0.0 0.889 11g 2G 1.000 V(1S)2G 7 8 351897.05 R 351897.095 0.0 0.889 12g 2G 1.000 W(1S)2G 8 9 353701.33 R 353701.296 0.0 0.889 13g 2G -1.000 X(1S)2G 9 10 355132.96 R 355132.997 0.0 0.889 14g 2G -1.000 Y(1S)2G 10 11 862060.484 1.430 3s3p3P 4D -0.997 h(3P)4D 11 -0.049 i(3D)4D 17 -0.040 i(3S)4D 15 12 1039577.547 1.420 -0.836 i(3S)4D 15 -0.405 i(3P)4D 16 -0.309 i(3D)4D 17 13 1043143.384 0.981 -0.918 i(3D)4G 12 -0.296 i(1D)2G 18 -0.179 i(3D)2G 19 14 1046901.975 1.044 0.553 i(3D)2F 23 0.539 i(1D)2G 18 0.380 i(1P)2F 20 15 1047635.293 1.059 -0.543 i(3D)2F 23 0.497 i(1D)2G 18 0.359 i(3P)2F 22 16 1051181.546 1.177 0.650 i(3P)4F 13 0.587 i(3D)4F 14 0.295 i(3D)4G 12 17 1052853.535 1.150 0.589 i(1P)2F 20 0.545 i(1D)2F 21 0.493 i(3P)2F 22 18 1058492.202 1.415 0.813 i(3P)4D 16 -0.453 i(3S)4D 15 0.257 i(3D)4D 17 19 1061467.854 1.378 -0.745 i(3D)4D 17 0.407 i(3D)4F 14 0.405 i(3P)4D 16 20 1062264.513 1.265 0.541 i(3D)4F 14 -0.491 i(3P)4F 13 0.468 i(3D)4D 17 J 3.5 21 1068295.411 1.179 -0.620 i(1D)2F 21 0.465 i(1P)2F 20 -0.365 i(3D)2F 23 22 1086327.969 0.939 0.759 i(3D)2G 19 -0.474 i(1D)2G 18 -0.323 i(3P)2F 22 23 1091928.651 1.092 0.649 i(3P)2F 22 0.414 i(3D)2F 23 0.381 i(3D)2G 19 14.03 J 4.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 293837.92 293838.376 0.5 1.111 5g 2G 1.000 P(1S)2G 1 2 315305.28 315305.478 0.2 1.111 6g 2G 1.000 Q(1S)2G 2 3 328249.64 328249.883 0.2 1.111 7g 2G -1.000 R(1S)2G 3 4 336650.69 336650.887 0.2 1.111 8g 2G 1.000 S(1S)2G 4 5 342410.42 R 342410.390 0.0 1.111 9g 2G 1.000 T(1S)2G 5 6 346530.34 R 346530.292 0.0 1.111 10g 2G 1.000 U(1S)2G 6 7 349578.60 R 349578.594 0.0 1.111 11g 2G -1.000 V(1S)2G 7 8 351897.05 R 351897.095 0.0 1.111 12g 2G 1.000 W(1S)2G 8 9 353701.33 R 353701.296 0.0 1.111 13g 2G 1.000 X(1S)2G 9 10 355132.96 R 355132.997 0.0 1.111 14g 2G 1.000 Y(1S)2G 10 11 1042359.607 1.171 -0.957 i(3D)4G 11 -0.225 i(1D)2G 14 -0.133 i(3D)2G 15 12 1047790.375 1.206 0.638 i(1D)2G 14 0.493 i(3P)4F 12 0.424 i(3D)4F 13 13 1051888.806 1.241 -0.552 i(3P)4F 12 0.515 i(1D)2G 14 -0.507 i(3D)4F 13 14 1061143.833 1.334 -0.747 i(3D)4F 13 0.664 i(3P)4F 12 15 1083560.294 1.111 0.850 i(3D)2G 15 -0.526 i(1D)2G 14 14.03 J 5.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 328260.76 328260.800 0.0 0.923 7i 2I 1.000 Z(1S)2I 1 2 336658.26 P 336658.300 0.0 0.923 8i 2I 1.000 a(1S)2I 2 3 342416.23 R 342416.200 0.0 0.923 9i 2I 1.000 b(1S)2I 3 4 346534.87 R 346534.900 0.0 0.923 10i 2I 1.000 c(1S)2I 4 5 349582.19 R 349582.200 0.0 0.923 11i 2I 1.000 d(1S)2I 5 6 351899.93 R 351899.900 0.0 0.923 12i 2I 1.000 e(1S)2I 6 7 353703.67 R 353703.700 0.0 0.923 13i 2I 1.000 f(1S)2I 7 8 355134.88 R 355134.900 0.0 0.923 14i 2I 1.000 g(1S)2I 8 9 1041725.932 1.273 1.000 i(3D)4G 9 14.03 J 6.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 328260.76 328260.800 0.0 1.077 7i 2I 1.000 Z(1S)2I 1 2 336658.26 P 336658.300 0.0 1.077 8i 2I 1.000 a(1S)2I 2 3 342416.23 R 342416.200 0.0 1.077 9i 2I 1.000 b(1S)2I 3 4 346534.87 R 346534.900 0.0 1.077 10i 2I 1.000 c(1S)2I 4 5 349582.19 R 349582.200 0.0 1.077 11i 2I 1.000 d(1S)2I 5 6 351899.93 R 351899.900 0.0 1.077 12i 2I 1.000 e(1S)2I 6 7 353703.67 R 353703.700 0.0 1.077 13i 2I 1.000 f(1S)2I 7 8 355134.88 R 355134.900 0.0 1.077 14i 2I 1.000 g(1S)2I 8 14.03 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 2p6 3s 1 1 EAV 2633.8 69.5 0.0 2633.8 0.0 0.000 1.000 0 2970.0 0 2p6 4s 2 2 EAV 194054.5 69.3 0.0 194054.5 196564.4 0.000 1.000 0 -2970.0 0 2p6 5s 3 3 EAV 265448.2 69.3 0.0 265448.2 268272.9 0.000 1.000 0 -2970.0 0 2p6 6s 4 4 EAV 299692.4 69.3 0.0 299692.4 302598.2 0.000 1.000 0 -2970.0 0 2p6 7s 5 5 EAV 318751.8 69.3 0.0 318751.8 321687.3 0.000 1.000 0 -2970.0 0 2p6 8s 6 6 EAV 330445.4 69.3 0.0 330445.4 333395.4 0.000 1.000 0 -2970.0 0 2p6 9s 7 7 EAV 338134.3 69.3 0.0 338134.3 341091.4 0.000 1.000 0 -2970.0 0 2p6 10s 8 8 EAV 343459.3 69.3 0.0 343459.3 346420.0 0.000 1.000 0 -2970.0 0 2p6 11s 9 9 EAV 347298.9 69.3 0.0 347298.9 350263.3 0.000 1.000 0 -2970.0 0 2p6 12s 10 A EAV 350158.4 69.3 0.0 350158.4 353124.9 0.000 1.000 0 -2970.0 0 2p6 13s 11 B EAV 352345.2 69.3 0.0 352345.2 355312.0 0.000 1.000 0 -2970.0 0 2p6 14s 12 C EAV 354054.8 69.3 0.0 354054.8 357022.1 0.000 1.000 0 -2970.0 0 2p6 3d 13 D EAV 162706.2 49.1 0.0 162706.2 162040.1 0.000 1.000 0 -2970.0 0 14 D ZETA 5 5.4 0.0 0.0 5.4 5.4 1.000 FIXEDHF 1.000 0 0.0 0 2p6 4d 15 E EAV 250048.3 49.0 0.0 250048.3 252847.8 0.000 1.000 0 -2970.0 0 16 E ZETA 5 2.5 0.0 0.0 2.5 2.5 1.000 FIXEDHF 1.000 0 0.0 0 2p6 5d 17 F EAV 291514.7 49.0 0.0 291514.7 294448.1 0.000 1.000 0 -2970.0 0 18 F ZETA 5 1.3 0.0 0.0 1.3 1.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 6d 19 G EAV 313923.9 49.0 0.0 313923.9 316883.2 0.000 1.000 0 -2970.0 0 20 G ZETA 5 0.8 0.0 0.0 0.8 0.8 1.000 FIXEDHF 1.000 0 0.0 0 2p6 7d 21 H EAV 327367.3 49.0 0.0 327367.3 330333.2 0.000 1.000 0 -2970.0 0 22 H ZETA 5 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.0 0 2p6 8d 23 I EAV 336054.9 49.0 0.0 336054.9 339023.3 0.000 1.000 0 -2970.0 0 24 I ZETA 5 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9d 25 J EAV 341990.1 49.0 0.0 341990.1 344959.7 0.000 1.000 0 -2970.0 0 26 J ZETA 5 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 10d 27 K EAV 346223.0 49.0 0.0 346223.0 349193.6 0.000 1.000 0 -2970.0 0 28 K ZETA 5 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 11d 29 L EAV 349347.3 49.0 0.0 349347.3 352316.9 0.000 1.000 0 -2970.0 0 30 L ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 12d 31 M EAV 351718.6 49.0 0.0 351718.6 354688.8 0.000 1.000 0 -2970.0 0 32 M ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 13d 33 N EAV 353560.9 49.0 0.0 353560.9 356531.4 0.000 1.000 0 -2970.0 0 34 N ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 14d 35 O EAV 355020.5 49.0 0.0 355020.5 357992.4 0.000 1.000 0 -2970.0 0 36 O ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 5g 37 P EAV 293838.0 49.0 0.0 293838.0 296791.4 0.000 1.000 0 -2970.0 0 38 P ZETA 6 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 6g 39 Q EAV 315305.3 49.0 0.0 315305.3 318257.2 0.000 1.000 0 -2970.0 0 40 Q ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 7g 41 R EAV 328249.7 49.0 0.0 328249.7 331205.3 0.000 1.000 0 -2970.0 0 42 R ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 8g 43 S EAV 336650.7 49.0 0.0 336650.7 339610.9 0.000 1.000 0 -2970.0 0 44 S ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9g 45 T EAV 342410.4 49.0 0.0 342410.4 345373.7 0.000 1.000 0 -2970.0 0 46 T ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10g 47 U EAV 346530.3 49.0 0.0 346530.3 349495.6 0.000 1.000 0 -2970.0 0 48 U ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11g 49 V EAV 349578.6 49.0 0.0 349578.6 352544.4 0.000 1.000 0 -2970.0 0 50 V ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12g 51 W EAV 351897.1 49.0 0.0 351897.1 354864.7 0.000 1.000 0 -2970.0 0 52 W ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13g 53 X EAV 353701.3 49.0 0.0 353701.3 356669.8 0.000 1.000 0 -2970.0 0 54 X ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14g 55 Y EAV 355133.0 49.0 0.0 355133.0 358102.9 0.000 1.000 0 -2970.0 0 56 Y ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 7i 57 Z EAV 328260.8 49.0 0.0 328260.8 331231.3 0.000 1.000 0 -2970.0 0 58 Z ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8i 59 a EAV 336658.3 49.0 0.0 336658.3 339629.4 0.000 1.000 0 -2970.0 0 60 a ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9i 61 b EAV 342416.2 49.0 0.0 342416.2 345387.3 0.000 1.000 0 -2970.0 0 62 b ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10i 63 c EAV 346534.9 49.0 0.0 346534.9 349505.8 0.000 1.000 0 -2970.0 0 64 c ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11i 65 d EAV 349582.2 49.0 0.0 349582.2 352553.5 0.000 1.000 0 -2970.0 0 66 d ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12i 67 e EAV 351899.9 49.0 0.0 351899.9 354871.7 0.000 1.000 0 -2970.0 0 68 e ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13i 69 f EAV 353703.7 49.0 0.0 353703.7 356674.5 0.000 1.000 0 -2970.0 0 70 f ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14i 71 g EAV 355134.9 49.0 0.0 355134.9 358106.0 0.000 1.000 0 -2970.0 0 72 g ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p5 3s3p 73 h EAV 879337.3 28.4 0.0 879337.3 871480.0 0.000 1.000 0 8000.0 0 74 h ZETA 1 3425.5 0.0 0.0 3425.5 3425.5 1.000 FIXEDHF 1.000 0 0.0 0 75 h ZETA 3 398.7 0.0 0.0 398.7 398.7 1.000 FIXEDHF 1.000 0 0.0 0 76 h F2(13) 21734.2 0.0 0.0 21734.2 27167.8 0.800 FIXEDHF 0.800 0 0.0 0 77 h G1(12) 10418.9 0.0 0.0 10418.9 13023.6 0.800 FIXEDHF 0.800 0 0.0 0 78 h G0(13) 10642.5 0.0 0.0 10642.5 13303.1 0.800 FIXEDHF 0.800 0 0.0 0 79 h G2(13) 9610.2 0.0 0.0 9610.2 12012.7 0.800 FIXEDHF 0.800 0 0.0 0 80 h G1(23) 58275.0 0.0 0.0 58275.0 72843.8 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3p3d 81 i EAV 1061620.1 0.0 0.0 1061620.1 1053620.1 0.000 FIXEDHF 1.000 0 8000.0 0 82 i ZETA 1 3445.1 0.0 0.0 3445.1 3445.1 1.000 FIXEDHF 1.000 0 0.0 0 83 i ZETA 3 408.5 0.0 0.0 408.5 408.5 1.000 FIXEDHF 1.000 0 0.0 0 84 i ZETA 5 10.6 0.0 0.0 10.6 10.6 1.000 FIXEDHF 1.000 0 0.0 0 85 i F2(13) 22087.1 0.0 0.0 22087.1 27608.9 0.800 FIXEDHF 0.800 0 0.0 0 86 i F2(15) 15750.7 0.0 0.0 15750.7 19688.4 0.800 FIXEDHF 0.800 0 0.0 0 87 i F2(35) 39792.2 0.0 0.0 39792.2 49740.2 0.800 FIXEDHF 0.800 0 0.0 0 88 i G0(13) 10767.2 0.0 0.0 10767.2 13459.0 0.800 FIXEDHF 0.800 0 0.0 0 89 i G2(13) 9765.3 0.0 0.0 9765.3 12206.6 0.800 FIXEDHF 0.800 0 0.0 0 90 i G1(15) 9618.8 0.0 0.0 9618.8 12023.5 0.800 FIXEDHF 0.800 0 0.0 0 91 i G3(15) 5434.1 0.0 0.0 5434.1 6792.6 0.800 FIXEDHF 0.800 0 0.0 0 92 i G1(35) 49489.7 0.0 0.0 49489.7 61862.1 0.800 FIXEDHF 0.800 0 0.0 0 93 i G3(35) 30689.5 0.0 0.0 30689.5 38361.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3s3p 94 1h 0D1113 5762.6 0.0 0.0 5762.6 7203.3 0.800 FIXEDHF 0.800 0 0.0 0 95 1h 2D1113 25430.5 0.0 0.0 25430.5 31788.1 0.800 FIXEDHF 0.800 0 0.0 0 96 1h 1D1223 -5748.8 0.0 0.0 -5748.8 -7186.0 0.800 FIXEDHF 0.800 0 0.0 0 97 1h 0E1223 -837.0 0.0 0.0 -837.0 -1046.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3p3d 98 1i 2D1235 -7601.8 0.0 0.0 -7601.8 -9502.2 0.800 FIXEDHF 0.800 0 0.0 0 99 1i 1E1235 -17467.0 0.0 0.0 -17467.0 -21833.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3s3p 100 2h 1D1423 -370.6 0.0 0.0 -370.6 -463.2 0.800 FIXEDHF 0.800 0 0.0 0 101 2h 0E1423 2271.9 0.0 0.0 2271.9 2839.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3p3d 102 2i 2D1435 -2171.1 0.0 0.0 -2171.1 -2713.9 0.800 FIXEDHF 0.800 0 0.0 0 103 2i 1E1435 -4986.4 0.0 0.0 -4986.4 -6233.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3s3p 104 3h 1D1423 35.1 0.0 0.0 35.1 43.9 0.800 FIXEDHF 0.800 0 0.0 0 105 3h 0E1423 1477.5 0.0 0.0 1477.5 1846.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3p3d 106 3i 2D1435 -1216.0 0.0 0.0 -1216.0 -1520.0 0.800 FIXEDHF 0.800 0 0.0 0 107 3i 1E1435 -2789.8 0.0 0.0 -2789.8 -3487.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3s3p 108 4h 1D1423 103.4 0.0 0.0 103.4 129.2 0.800 FIXEDHF 0.800 0 0.0 0 109 4h 0E1423 1061.0 0.0 0.0 1061.0 1326.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3p3d 110 4i 2D1435 -816.0 0.0 0.0 -816.0 -1020.0 0.800 FIXEDHF 0.800 0 0.0 0 111 4i 1E1435 -1876.3 0.0 0.0 -1876.3 -2345.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3s3p 112 5h 1D1423 109.4 0.0 0.0 109.4 136.8 0.800 FIXEDHF 0.800 0 0.0 0 113 5h 0E1423 810.2 0.0 0.0 810.2 1012.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3p3d 114 5i 2D1435 -600.6 0.0 0.0 -600.6 -750.7 0.800 FIXEDHF 0.800 0 0.0 0 115 5i 1E1435 -1383.4 0.0 0.0 -1383.4 -1729.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3s3p 116 6h 1D1423 101.4 0.0 0.0 101.4 126.8 0.800 FIXEDHF 0.800 0 0.0 0 117 6h 0E1423 645.0 0.0 0.0 645.0 806.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3p3d 118 6i 2D1435 -467.6 0.0 0.0 -467.6 -584.5 0.800 FIXEDHF 0.800 0 0.0 0 119 6i 1E1435 -1078.6 0.0 0.0 -1078.6 -1348.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3s3p 120 7h 1D1423 90.8 0.0 0.0 90.8 113.5 0.800 FIXEDHF 0.800 0 0.0 0 121 7h 0E1423 529.5 0.0 0.0 529.5 661.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3p3d 122 7i 2D1435 -378.2 0.0 0.0 -378.2 -472.7 0.800 FIXEDHF 0.800 0 0.0 0 123 7i 1E1435 -873.2 0.0 0.0 -873.2 -1091.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3s3p 124 8h 1D1423 80.6 0.0 0.0 80.6 100.8 0.800 FIXEDHF 0.800 0 0.0 0 125 8h 0E1423 444.9 0.0 0.0 444.9 556.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3p3d 126 8i 2D1435 -314.5 0.0 0.0 -314.5 -393.1 0.800 FIXEDHF 0.800 0 0.0 0 127 8i 1E1435 -726.6 0.0 0.0 -726.6 -908.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3s3p 128 9h 1D1423 71.7 0.0 0.0 71.7 89.6 0.800 FIXEDHF 0.800 0 0.0 0 129 9h 0E1423 380.6 0.0 0.0 380.6 475.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3p3d 130 9i 2D1435 -267.1 0.0 0.0 -267.1 -333.9 0.800 FIXEDHF 0.800 0 0.0 0 131 9i 1E1435 -617.5 0.0 0.0 -617.5 -771.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3s3p 132 Ah 1D1423 63.9 0.0 0.0 63.9 79.9 0.800 FIXEDHF 0.800 0 0.0 0 133 Ah 0E1423 330.6 0.0 0.0 330.6 413.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3p3d 134 Ai 2D1435 -230.6 0.0 0.0 -230.6 -288.3 0.800 FIXEDHF 0.800 0 0.0 0 135 Ai 1E1435 -533.4 0.0 0.0 -533.4 -666.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3s3p 136 Bh 1D1423 57.4 0.0 0.0 57.4 71.7 0.800 FIXEDHF 0.800 0 0.0 0 137 Bh 0E1423 290.6 0.0 0.0 290.6 363.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3p3d 138 Bi 2D1435 -201.9 0.0 0.0 -201.9 -252.4 0.800 FIXEDHF 0.800 0 0.0 0 139 Bi 1E1435 -467.0 0.0 0.0 -467.0 -583.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3s3p 140 Ch 1D1423 51.8 0.0 0.0 51.8 64.7 0.800 FIXEDHF 0.800 0 0.0 0 141 Ch 0E1423 258.1 0.0 0.0 258.1 322.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3p3d 142 Ci 2D1435 -178.7 0.0 0.0 -178.7 -223.4 0.800 FIXEDHF 0.800 0 0.0 0 143 Ci 1E1435 -413.5 0.0 0.0 -413.5 -516.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3s3p 144 Dh 1D1523 -7207.5 0.0 0.0 -7207.5 -9009.4 0.800 FIXEDHF 0.800 0 0.0 0 145 Dh 2E1523 -6649.2 0.0 0.0 -6649.2 -8311.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3p3d 146 Di 0D1113 5791.4 0.0 0.0 5791.4 7239.3 0.800 FIXEDHF 0.800 0 0.0 0 147 Di 2D1113 25589.5 0.0 0.0 25589.5 31986.9 0.800 FIXEDHF 0.800 0 0.0 0 148 Di 0D1535 -1064.8 0.0 0.0 -1064.8 -1331.0 0.800 FIXEDHF 0.800 0 0.0 0 149 Di 2D1535 -5661.4 0.0 0.0 -5661.4 -7076.7 0.800 FIXEDHF 0.800 0 0.0 0 150 Di 1E1535 -13044.5 0.0 0.0 -13044.5 -16305.6 0.800 FIXEDHF 0.800 0 0.0 0 151 Di 3E1535 -5708.9 0.0 0.0 -5708.9 -7136.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3s3p 152 Eh 1D1523 -3249.0 0.0 0.0 -3249.0 -4061.2 0.800 FIXEDHF 0.800 0 0.0 0 153 Eh 2E1523 -3549.1 0.0 0.0 -3549.1 -4436.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3p3d 154 Ei 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 155 Ei 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 156 Ei 0D1535 1005.5 0.0 0.0 1005.5 1256.9 0.800 FIXEDHF 0.800 0 0.0 0 157 Ei 2D1535 -2604.2 0.0 0.0 -2604.2 -3255.3 0.800 FIXEDHF 0.800 0 0.0 0 158 Ei 1E1535 -5978.4 0.0 0.0 -5978.4 -7473.0 0.800 FIXEDHF 0.800 0 0.0 0 159 Ei 3E1535 -3106.5 0.0 0.0 -3106.5 -3883.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3s3p 160 Fh 1D1523 -1939.4 0.0 0.0 -1939.4 -2424.3 0.800 FIXEDHF 0.800 0 0.0 0 161 Fh 2E1523 -2261.5 0.0 0.0 -2261.5 -2826.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3p3d 162 Fi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 163 Fi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 164 Fi 0D1535 720.5 0.0 0.0 720.5 900.6 0.800 FIXEDHF 0.800 0 0.0 0 165 Fi 2D1535 -1564.1 0.0 0.0 -1564.1 -1955.1 0.800 FIXEDHF 0.800 0 0.0 0 166 Fi 1E1535 -3575.2 0.0 0.0 -3575.2 -4469.0 0.800 FIXEDHF 0.800 0 0.0 0 167 Fi 3E1535 -1990.4 0.0 0.0 -1990.4 -2488.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3s3p 168 Gh 1D1523 -1331.0 0.0 0.0 -1331.0 -1663.8 0.800 FIXEDHF 0.800 0 0.0 0 169 Gh 2E1523 -1604.9 0.0 0.0 -1604.9 -2006.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3p3d 170 Gi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 171 Gi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 172 Gi 0D1535 545.0 0.0 0.0 545.0 681.3 0.800 FIXEDHF 0.800 0 0.0 0 173 Gi 2D1535 -1074.7 0.0 0.0 -1074.7 -1343.4 0.800 FIXEDHF 0.800 0 0.0 0 174 Gi 1E1535 -2451.2 0.0 0.0 -2451.2 -3064.0 0.800 FIXEDHF 0.800 0 0.0 0 175 Gi 3E1535 -1415.1 0.0 0.0 -1415.1 -1768.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3s3p 176 Hh 1D1523 -990.7 0.0 0.0 -990.7 -1238.4 0.800 FIXEDHF 0.800 0 0.0 0 177 Hh 2E1523 -1218.2 0.0 0.0 -1218.2 -1522.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3p3d 178 Hi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 179 Hi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 180 Hi 0D1535 430.0 0.0 0.0 430.0 537.5 0.800 FIXEDHF 0.800 0 0.0 0 181 Hi 2D1535 -799.8 0.0 0.0 -799.8 -999.8 0.800 FIXEDHF 0.800 0 0.0 0 182 Hi 1E1535 -1822.1 0.0 0.0 -1822.1 -2277.6 0.800 FIXEDHF 0.800 0 0.0 0 183 Hi 3E1535 -1075.0 0.0 0.0 -1075.0 -1343.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3s3p 184 Ih 1D1523 -777.1 0.0 0.0 -777.1 -971.4 0.800 FIXEDHF 0.800 0 0.0 0 185 Ih 2E1523 -967.7 0.0 0.0 -967.7 -1209.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3p3d 186 Ii 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 187 Ii 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 188 Ii 0D1535 350.2 0.0 0.0 350.2 437.7 0.800 FIXEDHF 0.800 0 0.0 0 189 Ii 2D1535 -627.1 0.0 0.0 -627.1 -783.9 0.800 FIXEDHF 0.800 0 0.0 0 190 Ii 1E1535 -1427.5 0.0 0.0 -1427.5 -1784.4 0.800 FIXEDHF 0.800 0 0.0 0 191 Ii 3E1535 -854.2 0.0 0.0 -854.2 -1067.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3s3p 192 Jh 1D1523 -632.1 0.0 0.0 -632.1 -790.1 0.800 FIXEDHF 0.800 0 0.0 0 193 Jh 2E1523 -793.9 0.0 0.0 -793.9 -992.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3p3d 194 Ji 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 195 Ji 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 196 Ji 0D1535 292.2 0.0 0.0 292.2 365.3 0.800 FIXEDHF 0.800 0 0.0 0 197 Ji 2D1535 -509.8 0.0 0.0 -509.8 -637.3 0.800 FIXEDHF 0.800 0 0.0 0 198 Ji 1E1535 -1160.0 0.0 0.0 -1160.0 -1450.0 0.800 FIXEDHF 0.800 0 0.0 0 199 Ji 3E1535 -700.9 0.0 0.0 -700.9 -876.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3s3p 200 Kh 1D1523 -528.1 0.0 0.0 -528.1 -660.1 0.800 FIXEDHF 0.800 0 0.0 0 201 Kh 2E1523 -667.4 0.0 0.0 -667.4 -834.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3p3d 202 Ki 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 203 Ki 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 204 Ki 0D1535 248.7 0.0 0.0 248.7 310.9 0.800 FIXEDHF 0.800 0 0.0 0 205 Ki 2D1535 -425.8 0.0 0.0 -425.8 -532.2 0.800 FIXEDHF 0.800 0 0.0 0 206 Ki 1E1535 -968.3 0.0 0.0 -968.3 -1210.4 0.800 FIXEDHF 0.800 0 0.0 0 207 Ki 3E1535 -589.2 0.0 0.0 -589.2 -736.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3s3p 208 Lh 1D1523 -450.2 0.0 0.0 -450.2 -562.8 0.800 FIXEDHF 0.800 0 0.0 0 209 Lh 2E1523 -571.6 0.0 0.0 -571.6 -714.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3p3d 210 Li 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 211 Li 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 212 Li 0D1535 215.0 0.0 0.0 215.0 268.7 0.800 FIXEDHF 0.800 0 0.0 0 213 Li 2D1535 -362.9 0.0 0.0 -362.9 -453.6 0.800 FIXEDHF 0.800 0 0.0 0 214 Li 1E1535 -825.0 0.0 0.0 -825.0 -1031.3 0.800 FIXEDHF 0.800 0 0.0 0 215 Li 3E1535 -504.6 0.0 0.0 -504.6 -630.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3s3p 216 Mh 1D1523 -390.1 0.0 0.0 -390.1 -487.6 0.800 FIXEDHF 0.800 0 0.0 0 217 Mh 2E1523 -497.0 0.0 0.0 -497.0 -621.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3p3d 218 Mi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 219 Mi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 220 Mi 0D1535 188.2 0.0 0.0 188.2 235.3 0.800 FIXEDHF 0.800 0 0.0 0 221 Mi 2D1535 -314.3 0.0 0.0 -314.3 -392.9 0.800 FIXEDHF 0.800 0 0.0 0 222 Mi 1E1535 -714.6 0.0 0.0 -714.6 -893.2 0.800 FIXEDHF 0.800 0 0.0 0 223 Mi 3E1535 -438.8 0.0 0.0 -438.8 -548.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3s3p 224 Nh 1D1523 -342.5 0.0 0.0 -342.5 -428.1 0.800 FIXEDHF 0.800 0 0.0 0 225 Nh 2E1523 -437.5 0.0 0.0 -437.5 -546.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3p3d 226 Ni 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 227 Ni 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 228 Ni 0D1535 166.6 0.0 0.0 166.6 208.2 0.800 FIXEDHF 0.800 0 0.0 0 229 Ni 2D1535 -275.8 0.0 0.0 -275.8 -344.8 0.800 FIXEDHF 0.800 0 0.0 0 230 Ni 1E1535 -627.0 0.0 0.0 -627.0 -783.8 0.800 FIXEDHF 0.800 0 0.0 0 231 Ni 3E1535 -386.2 0.0 0.0 -386.2 -482.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3s3p 232 Oh 1D1523 -303.9 0.0 0.0 -303.9 -379.9 0.800 FIXEDHF 0.800 0 0.0 0 233 Oh 2E1523 -389.1 0.0 0.0 -389.1 -486.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3p3d 234 Oi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 235 Oi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 236 Oi 0D1535 148.8 0.0 0.0 148.8 186.0 0.800 FIXEDHF 0.800 0 0.0 0 237 Oi 2D1535 -244.8 0.0 0.0 -244.8 -306.0 0.800 FIXEDHF 0.800 0 0.0 0 238 Oi 1E1535 -556.2 0.0 0.0 -556.2 -695.3 0.800 FIXEDHF 0.800 0 0.0 0 239 Oi 3E1535 -343.5 0.0 0.0 -343.5 -429.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5g -2p5 3p3d 240 Pi 2D1635 -421.7 0.0 0.0 -421.7 -527.1 0.800 FIXEDHF 0.800 0 0.0 0 241 Pi 3E1635 -266.4 0.0 0.0 -266.4 -333.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6g -2p5 3p3d 242 Qi 2D1635 -402.8 0.0 0.0 -402.8 -503.5 0.800 FIXEDHF 0.800 0 0.0 0 243 Qi 3E1635 -265.3 0.0 0.0 -265.3 -331.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7g -2p5 3p3d 244 Ri 2D1635 -353.0 0.0 0.0 -353.0 -441.3 0.800 FIXEDHF 0.800 0 0.0 0 245 Ri 3E1635 -238.0 0.0 0.0 -238.0 -297.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8g -2p5 3p3d 246 Si 2D1635 -305.3 0.0 0.0 -305.3 -381.6 0.800 FIXEDHF 0.800 0 0.0 0 247 Si 3E1635 -208.8 0.0 0.0 -208.8 -261.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9g -2p5 3p3d 248 Ti 2D1635 -264.8 0.0 0.0 -264.8 -331.0 0.800 FIXEDHF 0.800 0 0.0 0 249 Ti 3E1635 -182.9 0.0 0.0 -182.9 -228.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10g -2p5 3p3d 250 Ui 2D1635 -231.4 0.0 0.0 -231.4 -289.2 0.800 FIXEDHF 0.800 0 0.0 0 251 Ui 3E1635 -160.9 0.0 0.0 -160.9 -201.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11g -2p5 3p3d 252 Vi 2D1635 -203.8 0.0 0.0 -203.8 -254.8 0.800 FIXEDHF 0.800 0 0.0 0 253 Vi 3E1635 -142.5 0.0 0.0 -142.5 -178.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12g -2p5 3p3d 254 Wi 2D1635 -181.1 0.0 0.0 -181.1 -226.4 0.800 FIXEDHF 0.800 0 0.0 0 255 Wi 3E1635 -127.0 0.0 0.0 -127.0 -158.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13g -2p5 3p3d 256 Xi 2D1635 -162.2 0.0 0.0 -162.2 -202.7 0.800 FIXEDHF 0.800 0 0.0 0 257 Xi 3E1635 -114.1 0.0 0.0 -114.1 -142.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14g -2p5 3p3d 258 Yi 2D1635 -146.2 0.0 0.0 -146.2 -182.7 0.800 FIXEDHF 0.800 0 0.0 0 259 Yi 3E1635 -103.0 0.0 0.0 -103.0 -128.8 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s3p -2p5 3p3d 260 hi 2D1215 9510.6 0.0 0.0 9510.6 11888.3 0.800 FIXEDHF 0.800 0 0.0 0 261 hi 1E1215 -2435.5 0.0 0.0 -2435.5 -3044.4 0.800 FIXEDHF 0.800 0 0.0 0 262 hi 1D2335 52890.1 0.0 0.0 52890.1 66112.6 0.800 FIXEDHF 0.800 0 0.0 0 263 hi 2E2335 40143.6 0.0 0.0 40143.6 50179.5 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 69.3 43 FREE ITERATION 1 14.03 J 0.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.00 0.000 0.0 2.002 3s 2S 0.999 1(2S)2S 1 0.041 h(3P)2S 18 2 193978.89 193978.890 0.0 2.002 4s 2S -1.000 2(2S)2S 2 3 265417.95 265417.950 0.0 2.002 5s 2S 1.000 3(2S)2S 3 4 299676.95 299676.950 0.0 2.002 6s 2S 1.000 4(2S)2S 4 5 318742.79 318742.790 0.0 2.002 7s 2S 1.000 5(2S)2S 5 6 330439.66 330439.660 0.0 2.002 8s 2S -1.000 6(2S)2S 6 7 338130.49 R 338130.490 0.0 2.002 9s 2S -1.000 7(2S)2S 7 8 343456.57 R 343456.570 0.0 2.002 10s 2S -1.000 8(2S)2S 8 9 347296.91 R 347296.910 0.0 2.002 11s 2S -1.000 9(2S)2S 9 10 350156.92 R 350156.920 0.0 2.002 12s 2S -1.000 A(2S)2S 10 11 352344.01 R 352344.010 0.0 2.002 13s 2S 1.000 B(2S)2S 11 12 354053.86 R 354053.860 0.0 2.002 14s 2S -1.000 C(2S)2S 12 13 865325.315 0.117 3s3p3P 4D -0.956 h(3P)4D 13 0.184 h(1P)2P 15 0.180 h(3P)4P 14 14 870104.661 2.510 3s3p3P 4P 0.960 h(3P)4P 14 0.210 h(3P)4D 13 -0.114 h(1P)2S 17 15 873700. 873760.919 60.9 0.701 3s3p3P 2P -0.786 h(1P)2P 15 -0.558 h(3P)2P 16 -0.190 h(3P)4D 13 16 879300. 883677.256 1.998 3s3p3P 2S -0.937 h(1P)2S 17 0.277 h(3P)2S 18 -0.124 h(3P)4P 14 17 910100. 904507.558 0.680 3s3p1P 2P -0.797 h(3P)2P 16 0.559 h(1P)2P 15 -0.161 i(3D)2P 27 18 933972.964 1.999 3s3p1P 2S 0.941 h(3P)2S 18 0.281 h(1P)2S 17 0.169 i(3D)2S 29 19 1037334.320 -0.002 0.817 i(3S)4D 19 0.489 i(3P)4D 20 0.302 i(3D)4D 21 20 1049415.142 0.665 -0.661 i(3P)2P 26 0.501 i(1P)2P 24 0.394 i(1D)2P 25 14.03 J 1.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 160375.60 160368.593 -7.0 0.800 3d 2D 0.999 D(1S)2D 1 -0.048 i(1S)2D 28 2 250008.14 250004.968 -3.2 0.800 4d 2D -1.000 E(1S)2D 2 3 291497.50 291495.931 -1.6 0.800 5d 2D 1.000 F(1S)2D 3 4 313914.92 313913.923 -1.0 0.800 6d 2D -1.000 G(1S)2D 4 5 327361.97 327361.347 -0.6 0.800 7d 2D 1.000 H(1S)2D 5 6 336051.55 336051.176 -0.4 0.800 8d 2D -1.000 I(1S)2D 6 7 341987.76 R 341987.511 -0.2 0.800 9d 2D 1.000 J(1S)2D 7 8 346221.37 R 346221.121 -0.2 0.800 10d 2D -1.000 K(1S)2D 8 9 349346.06 R 349345.935 -0.1 0.800 11d 2D 1.000 L(1S)2D 9 10 351717.72 R 351717.595 -0.1 0.800 12d 2D -1.000 M(1S)2D 10 11 353560.17 R 353560.045 -0.1 0.800 13d 2D 1.000 N(1S)2D 11 12 355019.87 R 355019.745 -0.1 0.800 14d 2D -1.000 O(1S)2D 12 13 855085.122 1.995 3s3p3P 4S 0.986 h(3P)4S 15 -0.132 h(3P)4P 14 0.080 i(3D)4S 27 14 864190.520 1.211 3s3p3P 4D 0.937 h(3P)4D 13 -0.225 h(3P)4P 14 0.184 h(1P)2D 16 15 869300. 869252.414 -47.6 1.514 3s3p3P 4P -0.838 h(3P)4P 14 -0.379 h(1P)2D 16 -0.231 h(3P)2D 17 16 871900. 871974.716 74.7 1.001 3s3p3P 2D -0.728 h(1P)2D 16 -0.448 h(3P)2D 17 0.415 h(3P)4P 14 17 875300. 875008.384 -291.6 1.350 3s3p3P 2P -0.767 h(1P)2P 18 -0.560 h(3P)2P 19 0.231 h(3P)4P 14 18 900028.245 1.069 3s3p1P 2D -0.589 h(3P)2D 17 0.559 h(3P)2P 19 -0.412 h(1P)2P 18 19 903865.925 1.065 3s3p1P 2P 0.592 h(3P)2D 17 0.558 h(3P)2P 19 -0.406 h(1P)2P 18 20 1037766.760 1.194 -0.821 i(3S)4D 22 -0.474 i(3P)4D 23 -0.302 i(3D)4D 24 J 1.5 21 1045637.957 0.848 -0.631 i(3S)2D 31 0.493 i(3D)2D 33 -0.319 i(1D)2D 30 22 1050430.924 0.486 -0.709 i(3P)4F 20 -0.618 i(3D)4F 21 -0.173 i(3P)2P 36 23 1052767.211 1.216 0.570 i(3P)2P 36 -0.459 i(1P)2P 34 -0.385 i(1D)2P 35 24 1056045.366 1.916 -0.835 i(3D)4S 27 0.531 i(3D)4P 26 -0.069 i(3D)4D 24 25 1057981.957 1.762 0.762 i(3D)4P 26 0.505 i(3D)4S 27 0.279 i(3P)4P 25 26 1059781.124 1.162 0.687 i(3P)4D 23 -0.499 i(3S)4D 22 0.344 i(3D)4D 24 27 1061273.375 0.852 0.785 i(1P)2D 29 0.434 i(3P)2D 32 -0.240 i(3D)4D 24 28 1063295.593 0.906 -0.551 i(3D)4D 24 0.415 i(3P)4D 23 -0.391 i(1D)2D 30 29 1065145.408 0.801 -0.562 i(3D)4D 24 -0.537 i(3D)4F 21 0.453 i(3P)4F 20 30 1067155.093 1.052 0.504 i(1D)2D 30 0.417 i(1D)2P 35 -0.376 i(3P)4P 25 31 1068331.051 1.260 0.605 i(3P)4P 25 0.479 i(1D)2D 30 0.260 i(3D)2D 33 32 1069031.808 1.469 0.555 i(3P)4P 25 -0.533 i(1P)2P 34 -0.350 i(3P)2P 36 33 1073160.890 1.343 -0.519 i(1D)2P 35 -0.493 i(3P)2P 36 -0.486 i(1P)2P 34 34 1075801.445 0.805 0.673 i(3S)2D 31 0.525 i(3D)2D 33 -0.318 i(1D)2D 30 35 1092016.942 1.187 -0.614 i(3D)2P 37 -0.432 i(3P)2D 32 0.369 i(3P)2P 36 36 1095746.275 0.945 -0.685 i(3P)2D 32 0.379 i(3D)2P 37 0.329 i(1P)2D 29 37 1120228.928 0.800 -0.969 i(1S)2D 28 0.163 i(3D)2D 33 0.147 i(3S)2D 31 14.03 J 2.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 160374.41 160381.413 7.0 1.200 3d 2D 0.999 D(1S)2D 1 -0.048 i(1S)2D 29 2 250008.02 250011.192 3.2 1.200 4d 2D -1.000 E(1S)2D 2 3 291497.60 291499.169 1.6 1.200 5d 2D 1.000 F(1S)2D 3 4 313914.92 313915.917 1.0 1.200 6d 2D -1.000 G(1S)2D 4 5 327361.97 327362.593 0.6 1.200 7d 2D 1.000 H(1S)2D 5 6 336051.55 336051.924 0.4 1.200 8d 2D 1.000 I(1S)2D 6 7 341987.76 R 341988.009 0.2 1.200 9d 2D -1.000 J(1S)2D 7 8 346221.37 R 346221.619 0.2 1.200 10d 2D -1.000 K(1S)2D 8 9 349346.06 R 349346.185 0.1 1.200 11d 2D 1.000 L(1S)2D 9 10 351717.72 R 351717.845 0.1 1.200 12d 2D -1.000 M(1S)2D 10 11 353560.17 R 353560.295 0.1 1.200 13d 2D -1.000 N(1S)2D 11 12 355019.87 R 355019.995 0.1 1.200 14d 2D 1.000 O(1S)2D 12 13 863038.254 1.377 3s3p3P 4D 0.954 h(3P)4D 13 -0.219 h(3P)4P 14 0.159 h(1P)2D 15 14 868100. 868042.696 -57.3 1.554 3s3p3P 4P -0.932 h(3P)4P 14 -0.276 h(1P)2D 15 -0.170 h(3P)2D 16 15 873600. 873861.242 261.2 1.243 3s3p3P 2D -0.777 h(1P)2D 15 -0.500 h(3P)2D 16 0.281 h(3P)4P 14 16 897709.832 1.200 3s3p1P 2D -0.825 h(3P)2D 16 0.532 h(1P)2D 15 0.121 i(3P)2D 33 17 1038500.681 1.364 0.826 i(3S)4D 20 0.447 i(3P)4D 21 0.304 i(3D)4D 22 18 1044319.527 0.617 -0.935 i(3D)4G 17 0.182 i(1P)2F 25 0.163 i(3P)4F 18 19 1044767.468 1.161 -0.645 i(3S)2D 32 0.508 i(3D)2D 34 -0.337 i(1D)2D 31 20 1050494.376 0.929 -0.544 i(3P)4F 18 -0.478 i(3D)4F 19 -0.451 i(3D)2F 28 J 2.5 21 1051127.066 0.959 0.504 i(1P)2F 25 0.499 i(3D)2F 28 -0.466 i(3P)4F 18 22 1053131.445 0.863 -0.626 i(3P)2F 27 -0.592 i(1D)2F 26 0.340 i(3D)2F 28 23 1057310.455 1.583 -0.957 i(3D)4P 24 0.206 i(3D)4D 22 -0.135 i(3P)4P 23 24 1059135.278 1.352 0.743 i(3P)4D 21 -0.480 i(3S)4D 20 0.302 i(3D)4D 22 25 1061163.276 1.232 0.760 i(1P)2D 30 0.426 i(3P)2D 33 -0.316 i(3D)4D 22 26 1062461.462 1.207 -0.518 i(3D)4D 22 0.439 i(3D)4F 19 0.406 i(3P)4D 21 27 1063287.043 1.073 -0.487 i(3D)4D 22 -0.428 i(1D)2F 26 -0.398 i(3D)4F 19 28 1066808.560 1.025 -0.504 i(1D)2F 26 0.382 i(3D)4F 19 0.381 i(1P)2F 25 29 1068683.723 1.374 0.680 i(3P)4P 23 0.484 i(1D)2D 31 0.228 i(3D)2D 34 30 1069179.915 1.375 -0.656 i(3P)4P 23 0.548 i(1D)2D 31 0.416 i(3D)2D 34 31 1076139.921 1.200 0.683 i(3S)2D 32 0.544 i(3D)2D 34 -0.349 i(1D)2D 31 32 1090766.608 0.997 -0.557 i(3P)2F 27 0.520 i(3P)2D 33 -0.354 i(3D)2F 28 33 1093742.627 1.065 0.652 i(3P)2D 33 0.451 i(3P)2F 27 -0.332 i(1P)2D 30 34 1120514.748 1.200 -0.966 i(1S)2D 29 0.150 i(3S)2D 32 0.150 i(3D)2D 34 14.03 J 3.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 293837.92 293837.470 -0.4 0.889 5g 2G 1.000 P(1S)2G 1 2 315305.28 315305.055 -0.2 0.889 6g 2G 1.000 Q(1S)2G 2 3 328249.64 328249.415 -0.2 0.889 7g 2G -1.000 R(1S)2G 3 4 336650.69 336650.465 -0.2 0.889 8g 2G -1.000 S(1S)2G 4 5 342410.42 R 342410.420 0.0 0.889 9g 2G 1.000 T(1S)2G 5 6 346530.34 R 346530.340 0.0 0.889 10g 2G -1.000 U(1S)2G 6 7 349578.60 R 349578.600 0.0 0.889 11g 2G 1.000 V(1S)2G 7 8 351897.05 R 351897.050 0.0 0.889 12g 2G 1.000 W(1S)2G 8 9 353701.33 R 353701.330 0.0 0.889 13g 2G -1.000 X(1S)2G 9 10 355132.96 R 355132.960 0.0 0.889 14g 2G -1.000 Y(1S)2G 10 11 862060.498 1.430 3s3p3P 4D -0.997 h(3P)4D 11 -0.049 i(3D)4D 17 -0.040 i(3S)4D 15 12 1039577.547 1.420 -0.836 i(3S)4D 15 -0.405 i(3P)4D 16 -0.309 i(3D)4D 17 13 1043143.384 0.981 -0.918 i(3D)4G 12 -0.296 i(1D)2G 18 -0.179 i(3D)2G 19 14 1046901.975 1.044 0.553 i(3D)2F 23 0.539 i(1D)2G 18 0.380 i(1P)2F 20 15 1047635.293 1.059 -0.543 i(3D)2F 23 0.497 i(1D)2G 18 0.359 i(3P)2F 22 16 1051181.546 1.177 0.650 i(3P)4F 13 0.587 i(3D)4F 14 0.295 i(3D)4G 12 17 1052853.535 1.150 0.589 i(1P)2F 20 0.545 i(1D)2F 21 0.493 i(3P)2F 22 18 1058492.202 1.415 0.813 i(3P)4D 16 -0.453 i(3S)4D 15 0.257 i(3D)4D 17 19 1061467.854 1.378 -0.745 i(3D)4D 17 0.407 i(3D)4F 14 0.405 i(3P)4D 16 20 1062264.513 1.265 0.541 i(3D)4F 14 -0.491 i(3P)4F 13 0.468 i(3D)4D 17 J 3.5 21 1068295.411 1.179 -0.620 i(1D)2F 21 0.465 i(1P)2F 20 -0.365 i(3D)2F 23 22 1086327.969 0.939 0.759 i(3D)2G 19 -0.474 i(1D)2G 18 -0.323 i(3P)2F 22 23 1091928.651 1.092 0.649 i(3P)2F 22 0.414 i(3D)2F 23 0.381 i(3D)2G 19 14.03 J 4.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 293837.92 293838.370 0.4 1.111 5g 2G 1.000 P(1S)2G 1 2 315305.28 315305.505 0.2 1.111 6g 2G 1.000 Q(1S)2G 2 3 328249.64 328249.865 0.2 1.111 7g 2G -1.000 R(1S)2G 3 4 336650.69 336650.915 0.2 1.111 8g 2G 1.000 S(1S)2G 4 5 342410.42 R 342410.420 0.0 1.111 9g 2G 1.000 T(1S)2G 5 6 346530.34 R 346530.340 0.0 1.111 10g 2G 1.000 U(1S)2G 6 7 349578.60 R 349578.600 0.0 1.111 11g 2G -1.000 V(1S)2G 7 8 351897.05 R 351897.050 0.0 1.111 12g 2G 1.000 W(1S)2G 8 9 353701.33 R 353701.330 0.0 1.111 13g 2G 1.000 X(1S)2G 9 10 355132.96 R 355132.960 0.0 1.111 14g 2G 1.000 Y(1S)2G 10 11 1042359.607 1.171 -0.957 i(3D)4G 11 -0.225 i(1D)2G 14 -0.133 i(3D)2G 15 12 1047790.375 1.206 0.638 i(1D)2G 14 0.493 i(3P)4F 12 0.424 i(3D)4F 13 13 1051888.806 1.241 -0.552 i(3P)4F 12 0.515 i(1D)2G 14 -0.507 i(3D)4F 13 14 1061143.833 1.334 -0.747 i(3D)4F 13 0.664 i(3P)4F 12 15 1083560.294 1.111 0.850 i(3D)2G 15 -0.526 i(1D)2G 14 14.03 J 5.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 328260.76 328260.760 0.0 0.923 7i 2I 1.000 Z(1S)2I 1 2 336658.26 P 336658.260 0.0 0.923 8i 2I 1.000 a(1S)2I 2 3 342416.23 R 342416.230 0.0 0.923 9i 2I 1.000 b(1S)2I 3 4 346534.87 R 346534.870 0.0 0.923 10i 2I 1.000 c(1S)2I 4 5 349582.19 R 349582.190 0.0 0.923 11i 2I 1.000 d(1S)2I 5 6 351899.93 R 351899.930 0.0 0.923 12i 2I 1.000 e(1S)2I 6 7 353703.67 R 353703.670 0.0 0.923 13i 2I 1.000 f(1S)2I 7 8 355134.88 R 355134.880 0.0 0.923 14i 2I 1.000 g(1S)2I 8 9 1041725.932 1.273 1.000 i(3D)4G 9 14.03 J 6.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 328260.76 328260.760 0.0 1.077 7i 2I 1.000 Z(1S)2I 1 2 336658.26 P 336658.260 0.0 1.077 8i 2I 1.000 a(1S)2I 2 3 342416.23 R 342416.230 0.0 1.077 9i 2I 1.000 b(1S)2I 3 4 346534.87 R 346534.870 0.0 1.077 10i 2I 1.000 c(1S)2I 4 5 349582.19 R 349582.190 0.0 1.077 11i 2I 1.000 d(1S)2I 5 6 351899.93 R 351899.930 0.0 1.077 12i 2I 1.000 e(1S)2I 6 7 353703.67 R 353703.670 0.0 1.077 13i 2I 1.000 f(1S)2I 7 8 355134.88 R 355134.880 0.0 1.077 14i 2I 1.000 g(1S)2I 8 14.03 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 2p6 3s 1 1 EAV 2633.8 69.5 0.0 2633.8 0.0 0.000 1.000 0 2970.0 0 2p6 4s 2 2 EAV 194054.5 69.3 0.0 194054.5 196564.4 0.000 1.000 0 -2970.0 0 2p6 5s 3 3 EAV 265448.2 69.3 0.0 265448.2 268272.9 0.000 1.000 0 -2970.0 0 2p6 6s 4 4 EAV 299692.4 69.3 0.0 299692.4 302598.2 0.000 1.000 0 -2970.0 0 2p6 7s 5 5 EAV 318751.8 69.3 0.0 318751.8 321687.3 0.000 1.000 0 -2970.0 0 2p6 8s 6 6 EAV 330445.4 69.3 0.0 330445.4 333395.4 0.000 1.000 0 -2970.0 0 2p6 9s 7 7 EAV 338134.3 69.3 0.0 338134.3 341091.4 0.000 1.000 0 -2970.0 0 2p6 10s 8 8 EAV 343459.3 69.3 0.0 343459.3 346420.0 0.000 1.000 0 -2970.0 0 2p6 11s 9 9 EAV 347298.9 69.3 0.0 347298.9 350263.3 0.000 1.000 0 -2970.0 0 2p6 12s 10 A EAV 350158.4 69.3 0.0 350158.4 353124.9 0.000 1.000 0 -2970.0 0 2p6 13s 11 B EAV 352345.2 69.3 0.0 352345.2 355312.0 0.000 1.000 0 -2970.0 0 2p6 14s 12 C EAV 354054.8 69.3 0.0 354054.8 357022.1 0.000 1.000 0 -2970.0 0 2p6 3d 13 D EAV 162706.2 49.1 0.0 162706.2 162040.1 0.000 1.000 0 -2970.0 0 14 D ZETA 5 5.4 0.0 0.0 5.4 5.4 1.000 FIXEDHF 1.000 0 0.0 0 2p6 4d 15 E EAV 250048.3 49.0 0.0 250048.3 252847.8 0.000 1.000 0 -2970.0 0 16 E ZETA 5 2.5 0.0 0.0 2.5 2.5 1.000 FIXEDHF 1.000 0 0.0 0 2p6 5d 17 F EAV 291514.7 49.0 0.0 291514.7 294448.1 0.000 1.000 0 -2970.0 0 18 F ZETA 5 1.3 0.0 0.0 1.3 1.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 6d 19 G EAV 313923.9 49.0 0.0 313923.9 316883.2 0.000 1.000 0 -2970.0 0 20 G ZETA 5 0.8 0.0 0.0 0.8 0.8 1.000 FIXEDHF 1.000 0 0.0 0 2p6 7d 21 H EAV 327367.3 49.0 0.0 327367.3 330333.2 0.000 1.000 0 -2970.0 0 22 H ZETA 5 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.0 0 2p6 8d 23 I EAV 336054.9 49.0 0.0 336054.9 339023.3 0.000 1.000 0 -2970.0 0 24 I ZETA 5 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9d 25 J EAV 341990.1 49.0 0.0 341990.1 344959.7 0.000 1.000 0 -2970.0 0 26 J ZETA 5 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 10d 27 K EAV 346223.0 49.0 0.0 346223.0 349193.6 0.000 1.000 0 -2970.0 0 28 K ZETA 5 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 11d 29 L EAV 349347.3 49.0 0.0 349347.3 352316.9 0.000 1.000 0 -2970.0 0 30 L ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 12d 31 M EAV 351718.6 49.0 0.0 351718.6 354688.8 0.000 1.000 0 -2970.0 0 32 M ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 13d 33 N EAV 353560.9 49.0 0.0 353560.9 356531.4 0.000 1.000 0 -2970.0 0 34 N ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 14d 35 O EAV 355020.5 49.0 0.0 355020.5 357992.4 0.000 1.000 0 -2970.0 0 36 O ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 5g 37 P EAV 293838.0 49.0 0.0 293838.0 296791.4 0.000 1.000 0 -2970.0 0 38 P ZETA 6 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.0 0 2p6 6g 39 Q EAV 315305.3 49.0 0.0 315305.3 318257.2 0.000 1.000 0 -2970.0 0 40 Q ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 7g 41 R EAV 328249.7 49.0 0.0 328249.7 331205.3 0.000 1.000 0 -2970.0 0 42 R ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 8g 43 S EAV 336650.7 49.0 0.0 336650.7 339610.9 0.000 1.000 0 -2970.0 0 44 S ZETA 6 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 2p6 9g 45 T EAV 342410.4 49.0 0.0 342410.4 345373.7 0.000 1.000 0 -2970.0 0 46 T ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10g 47 U EAV 346530.3 49.0 0.0 346530.3 349495.6 0.000 1.000 0 -2970.0 0 48 U ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11g 49 V EAV 349578.6 49.0 0.0 349578.6 352544.4 0.000 1.000 0 -2970.0 0 50 V ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12g 51 W EAV 351897.1 49.0 0.0 351897.1 354864.7 0.000 1.000 0 -2970.0 0 52 W ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13g 53 X EAV 353701.3 49.0 0.0 353701.3 356669.8 0.000 1.000 0 -2970.0 0 54 X ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14g 55 Y EAV 355133.0 49.0 0.0 355133.0 358102.9 0.000 1.000 0 -2970.0 0 56 Y ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 7i 57 Z EAV 328260.8 49.0 0.0 328260.8 331231.3 0.000 1.000 0 -2970.0 0 58 Z ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8i 59 a EAV 336658.3 49.0 0.0 336658.3 339629.4 0.000 1.000 0 -2970.0 0 60 a ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9i 61 b EAV 342416.2 49.0 0.0 342416.2 345387.3 0.000 1.000 0 -2970.0 0 62 b ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10i 63 c EAV 346534.9 49.0 0.0 346534.9 349505.8 0.000 1.000 0 -2970.0 0 64 c ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11i 65 d EAV 349582.2 49.0 0.0 349582.2 352553.5 0.000 1.000 0 -2970.0 0 66 d ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12i 67 e EAV 351899.9 49.0 0.0 351899.9 354871.7 0.000 1.000 0 -2970.0 0 68 e ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13i 69 f EAV 353703.7 49.0 0.0 353703.7 356674.5 0.000 1.000 0 -2970.0 0 70 f ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14i 71 g EAV 355134.9 49.0 0.0 355134.9 358106.0 0.000 1.000 0 -2970.0 0 72 g ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p5 3s3p 73 h EAV 879337.3 28.4 0.0 879337.3 871480.0 0.000 1.000 0 8000.0 0 74 h ZETA 1 3425.5 0.0 0.0 3425.5 3425.5 1.000 FIXEDHF 1.000 0 0.0 0 75 h ZETA 3 398.7 0.0 0.0 398.7 398.7 1.000 FIXEDHF 1.000 0 0.0 0 76 h F2(13) 21734.2 0.0 0.0 21734.2 27167.8 0.800 FIXEDHF 0.800 0 0.0 0 77 h G1(12) 10418.9 0.0 0.0 10418.9 13023.6 0.800 FIXEDHF 0.800 0 0.0 0 78 h G0(13) 10642.5 0.0 0.0 10642.5 13303.1 0.800 FIXEDHF 0.800 0 0.0 0 79 h G2(13) 9610.2 0.0 0.0 9610.2 12012.7 0.800 FIXEDHF 0.800 0 0.0 0 80 h G1(23) 58275.0 0.0 0.0 58275.0 72843.8 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3p3d 81 i EAV 1061620.1 0.0 0.0 1061620.1 1053620.1 0.000 FIXEDHF 1.000 0 8000.0 0 82 i ZETA 1 3445.1 0.0 0.0 3445.1 3445.1 1.000 FIXEDHF 1.000 0 0.0 0 83 i ZETA 3 408.5 0.0 0.0 408.5 408.5 1.000 FIXEDHF 1.000 0 0.0 0 84 i ZETA 5 10.6 0.0 0.0 10.6 10.6 1.000 FIXEDHF 1.000 0 0.0 0 85 i F2(13) 22087.1 0.0 0.0 22087.1 27608.9 0.800 FIXEDHF 0.800 0 0.0 0 86 i F2(15) 15750.7 0.0 0.0 15750.7 19688.4 0.800 FIXEDHF 0.800 0 0.0 0 87 i F2(35) 39792.2 0.0 0.0 39792.2 49740.2 0.800 FIXEDHF 0.800 0 0.0 0 88 i G0(13) 10767.2 0.0 0.0 10767.2 13459.0 0.800 FIXEDHF 0.800 0 0.0 0 89 i G2(13) 9765.3 0.0 0.0 9765.3 12206.6 0.800 FIXEDHF 0.800 0 0.0 0 90 i G1(15) 9618.8 0.0 0.0 9618.8 12023.5 0.800 FIXEDHF 0.800 0 0.0 0 91 i G3(15) 5434.1 0.0 0.0 5434.1 6792.6 0.800 FIXEDHF 0.800 0 0.0 0 92 i G1(35) 49489.7 0.0 0.0 49489.7 61862.1 0.800 FIXEDHF 0.800 0 0.0 0 93 i G3(35) 30689.5 0.0 0.0 30689.5 38361.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3s3p 94 1h 0D1113 5762.6 0.0 0.0 5762.6 7203.3 0.800 FIXEDHF 0.800 0 0.0 0 95 1h 2D1113 25430.5 0.0 0.0 25430.5 31788.1 0.800 FIXEDHF 0.800 0 0.0 0 96 1h 1D1223 -5748.8 0.0 0.0 -5748.8 -7186.0 0.800 FIXEDHF 0.800 0 0.0 0 97 1h 0E1223 -837.0 0.0 0.0 -837.0 -1046.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3p3d 98 1i 2D1235 -7601.8 0.0 0.0 -7601.8 -9502.2 0.800 FIXEDHF 0.800 0 0.0 0 99 1i 1E1235 -17467.0 0.0 0.0 -17467.0 -21833.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3s3p 100 2h 1D1423 -370.6 0.0 0.0 -370.6 -463.2 0.800 FIXEDHF 0.800 0 0.0 0 101 2h 0E1423 2271.9 0.0 0.0 2271.9 2839.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3p3d 102 2i 2D1435 -2171.1 0.0 0.0 -2171.1 -2713.9 0.800 FIXEDHF 0.800 0 0.0 0 103 2i 1E1435 -4986.4 0.0 0.0 -4986.4 -6233.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3s3p 104 3h 1D1423 35.1 0.0 0.0 35.1 43.9 0.800 FIXEDHF 0.800 0 0.0 0 105 3h 0E1423 1477.5 0.0 0.0 1477.5 1846.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3p3d 106 3i 2D1435 -1216.0 0.0 0.0 -1216.0 -1520.0 0.800 FIXEDHF 0.800 0 0.0 0 107 3i 1E1435 -2789.8 0.0 0.0 -2789.8 -3487.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3s3p 108 4h 1D1423 103.4 0.0 0.0 103.4 129.2 0.800 FIXEDHF 0.800 0 0.0 0 109 4h 0E1423 1061.0 0.0 0.0 1061.0 1326.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3p3d 110 4i 2D1435 -816.0 0.0 0.0 -816.0 -1020.0 0.800 FIXEDHF 0.800 0 0.0 0 111 4i 1E1435 -1876.3 0.0 0.0 -1876.3 -2345.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3s3p 112 5h 1D1423 109.4 0.0 0.0 109.4 136.8 0.800 FIXEDHF 0.800 0 0.0 0 113 5h 0E1423 810.2 0.0 0.0 810.2 1012.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3p3d 114 5i 2D1435 -600.6 0.0 0.0 -600.6 -750.7 0.800 FIXEDHF 0.800 0 0.0 0 115 5i 1E1435 -1383.4 0.0 0.0 -1383.4 -1729.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3s3p 116 6h 1D1423 101.4 0.0 0.0 101.4 126.8 0.800 FIXEDHF 0.800 0 0.0 0 117 6h 0E1423 645.0 0.0 0.0 645.0 806.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3p3d 118 6i 2D1435 -467.6 0.0 0.0 -467.6 -584.5 0.800 FIXEDHF 0.800 0 0.0 0 119 6i 1E1435 -1078.6 0.0 0.0 -1078.6 -1348.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3s3p 120 7h 1D1423 90.8 0.0 0.0 90.8 113.5 0.800 FIXEDHF 0.800 0 0.0 0 121 7h 0E1423 529.5 0.0 0.0 529.5 661.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3p3d 122 7i 2D1435 -378.2 0.0 0.0 -378.2 -472.7 0.800 FIXEDHF 0.800 0 0.0 0 123 7i 1E1435 -873.2 0.0 0.0 -873.2 -1091.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3s3p 124 8h 1D1423 80.6 0.0 0.0 80.6 100.8 0.800 FIXEDHF 0.800 0 0.0 0 125 8h 0E1423 444.9 0.0 0.0 444.9 556.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3p3d 126 8i 2D1435 -314.5 0.0 0.0 -314.5 -393.1 0.800 FIXEDHF 0.800 0 0.0 0 127 8i 1E1435 -726.6 0.0 0.0 -726.6 -908.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3s3p 128 9h 1D1423 71.7 0.0 0.0 71.7 89.6 0.800 FIXEDHF 0.800 0 0.0 0 129 9h 0E1423 380.6 0.0 0.0 380.6 475.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3p3d 130 9i 2D1435 -267.1 0.0 0.0 -267.1 -333.9 0.800 FIXEDHF 0.800 0 0.0 0 131 9i 1E1435 -617.5 0.0 0.0 -617.5 -771.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3s3p 132 Ah 1D1423 63.9 0.0 0.0 63.9 79.9 0.800 FIXEDHF 0.800 0 0.0 0 133 Ah 0E1423 330.6 0.0 0.0 330.6 413.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3p3d 134 Ai 2D1435 -230.6 0.0 0.0 -230.6 -288.3 0.800 FIXEDHF 0.800 0 0.0 0 135 Ai 1E1435 -533.4 0.0 0.0 -533.4 -666.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3s3p 136 Bh 1D1423 57.4 0.0 0.0 57.4 71.7 0.800 FIXEDHF 0.800 0 0.0 0 137 Bh 0E1423 290.6 0.0 0.0 290.6 363.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3p3d 138 Bi 2D1435 -201.9 0.0 0.0 -201.9 -252.4 0.800 FIXEDHF 0.800 0 0.0 0 139 Bi 1E1435 -467.0 0.0 0.0 -467.0 -583.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3s3p 140 Ch 1D1423 51.8 0.0 0.0 51.8 64.7 0.800 FIXEDHF 0.800 0 0.0 0 141 Ch 0E1423 258.1 0.0 0.0 258.1 322.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3p3d 142 Ci 2D1435 -178.7 0.0 0.0 -178.7 -223.4 0.800 FIXEDHF 0.800 0 0.0 0 143 Ci 1E1435 -413.5 0.0 0.0 -413.5 -516.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3s3p 144 Dh 1D1523 -7207.5 0.0 0.0 -7207.5 -9009.4 0.800 FIXEDHF 0.800 0 0.0 0 145 Dh 2E1523 -6649.2 0.0 0.0 -6649.2 -8311.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3p3d 146 Di 0D1113 5791.4 0.0 0.0 5791.4 7239.3 0.800 FIXEDHF 0.800 0 0.0 0 147 Di 2D1113 25589.5 0.0 0.0 25589.5 31986.9 0.800 FIXEDHF 0.800 0 0.0 0 148 Di 0D1535 -1064.8 0.0 0.0 -1064.8 -1331.0 0.800 FIXEDHF 0.800 0 0.0 0 149 Di 2D1535 -5661.4 0.0 0.0 -5661.4 -7076.7 0.800 FIXEDHF 0.800 0 0.0 0 150 Di 1E1535 -13044.5 0.0 0.0 -13044.5 -16305.6 0.800 FIXEDHF 0.800 0 0.0 0 151 Di 3E1535 -5708.9 0.0 0.0 -5708.9 -7136.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3s3p 152 Eh 1D1523 -3249.0 0.0 0.0 -3249.0 -4061.2 0.800 FIXEDHF 0.800 0 0.0 0 153 Eh 2E1523 -3549.1 0.0 0.0 -3549.1 -4436.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3p3d 154 Ei 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 155 Ei 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 156 Ei 0D1535 1005.5 0.0 0.0 1005.5 1256.9 0.800 FIXEDHF 0.800 0 0.0 0 157 Ei 2D1535 -2604.2 0.0 0.0 -2604.2 -3255.3 0.800 FIXEDHF 0.800 0 0.0 0 158 Ei 1E1535 -5978.4 0.0 0.0 -5978.4 -7473.0 0.800 FIXEDHF 0.800 0 0.0 0 159 Ei 3E1535 -3106.5 0.0 0.0 -3106.5 -3883.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3s3p 160 Fh 1D1523 -1939.4 0.0 0.0 -1939.4 -2424.3 0.800 FIXEDHF 0.800 0 0.0 0 161 Fh 2E1523 -2261.5 0.0 0.0 -2261.5 -2826.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3p3d 162 Fi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 163 Fi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 164 Fi 0D1535 720.5 0.0 0.0 720.5 900.6 0.800 FIXEDHF 0.800 0 0.0 0 165 Fi 2D1535 -1564.1 0.0 0.0 -1564.1 -1955.1 0.800 FIXEDHF 0.800 0 0.0 0 166 Fi 1E1535 -3575.2 0.0 0.0 -3575.2 -4469.0 0.800 FIXEDHF 0.800 0 0.0 0 167 Fi 3E1535 -1990.4 0.0 0.0 -1990.4 -2488.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3s3p 168 Gh 1D1523 -1331.0 0.0 0.0 -1331.0 -1663.8 0.800 FIXEDHF 0.800 0 0.0 0 169 Gh 2E1523 -1604.9 0.0 0.0 -1604.9 -2006.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3p3d 170 Gi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 171 Gi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 172 Gi 0D1535 545.0 0.0 0.0 545.0 681.3 0.800 FIXEDHF 0.800 0 0.0 0 173 Gi 2D1535 -1074.7 0.0 0.0 -1074.7 -1343.4 0.800 FIXEDHF 0.800 0 0.0 0 174 Gi 1E1535 -2451.2 0.0 0.0 -2451.2 -3064.0 0.800 FIXEDHF 0.800 0 0.0 0 175 Gi 3E1535 -1415.1 0.0 0.0 -1415.1 -1768.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3s3p 176 Hh 1D1523 -990.7 0.0 0.0 -990.7 -1238.4 0.800 FIXEDHF 0.800 0 0.0 0 177 Hh 2E1523 -1218.2 0.0 0.0 -1218.2 -1522.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3p3d 178 Hi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 179 Hi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 180 Hi 0D1535 430.0 0.0 0.0 430.0 537.5 0.800 FIXEDHF 0.800 0 0.0 0 181 Hi 2D1535 -799.8 0.0 0.0 -799.8 -999.8 0.800 FIXEDHF 0.800 0 0.0 0 182 Hi 1E1535 -1822.1 0.0 0.0 -1822.1 -2277.6 0.800 FIXEDHF 0.800 0 0.0 0 183 Hi 3E1535 -1075.0 0.0 0.0 -1075.0 -1343.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3s3p 184 Ih 1D1523 -777.1 0.0 0.0 -777.1 -971.4 0.800 FIXEDHF 0.800 0 0.0 0 185 Ih 2E1523 -967.7 0.0 0.0 -967.7 -1209.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3p3d 186 Ii 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 187 Ii 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 188 Ii 0D1535 350.2 0.0 0.0 350.2 437.7 0.800 FIXEDHF 0.800 0 0.0 0 189 Ii 2D1535 -627.1 0.0 0.0 -627.1 -783.9 0.800 FIXEDHF 0.800 0 0.0 0 190 Ii 1E1535 -1427.5 0.0 0.0 -1427.5 -1784.4 0.800 FIXEDHF 0.800 0 0.0 0 191 Ii 3E1535 -854.2 0.0 0.0 -854.2 -1067.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3s3p 192 Jh 1D1523 -632.1 0.0 0.0 -632.1 -790.1 0.800 FIXEDHF 0.800 0 0.0 0 193 Jh 2E1523 -793.9 0.0 0.0 -793.9 -992.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3p3d 194 Ji 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 195 Ji 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 196 Ji 0D1535 292.2 0.0 0.0 292.2 365.3 0.800 FIXEDHF 0.800 0 0.0 0 197 Ji 2D1535 -509.8 0.0 0.0 -509.8 -637.3 0.800 FIXEDHF 0.800 0 0.0 0 198 Ji 1E1535 -1160.0 0.0 0.0 -1160.0 -1450.0 0.800 FIXEDHF 0.800 0 0.0 0 199 Ji 3E1535 -700.9 0.0 0.0 -700.9 -876.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3s3p 200 Kh 1D1523 -528.1 0.0 0.0 -528.1 -660.1 0.800 FIXEDHF 0.800 0 0.0 0 201 Kh 2E1523 -667.4 0.0 0.0 -667.4 -834.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3p3d 202 Ki 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 203 Ki 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 204 Ki 0D1535 248.7 0.0 0.0 248.7 310.9 0.800 FIXEDHF 0.800 0 0.0 0 205 Ki 2D1535 -425.8 0.0 0.0 -425.8 -532.2 0.800 FIXEDHF 0.800 0 0.0 0 206 Ki 1E1535 -968.3 0.0 0.0 -968.3 -1210.4 0.800 FIXEDHF 0.800 0 0.0 0 207 Ki 3E1535 -589.2 0.0 0.0 -589.2 -736.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3s3p 208 Lh 1D1523 -450.2 0.0 0.0 -450.2 -562.8 0.800 FIXEDHF 0.800 0 0.0 0 209 Lh 2E1523 -571.6 0.0 0.0 -571.6 -714.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3p3d 210 Li 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 211 Li 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 212 Li 0D1535 215.0 0.0 0.0 215.0 268.7 0.800 FIXEDHF 0.800 0 0.0 0 213 Li 2D1535 -362.9 0.0 0.0 -362.9 -453.6 0.800 FIXEDHF 0.800 0 0.0 0 214 Li 1E1535 -825.0 0.0 0.0 -825.0 -1031.3 0.800 FIXEDHF 0.800 0 0.0 0 215 Li 3E1535 -504.6 0.0 0.0 -504.6 -630.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3s3p 216 Mh 1D1523 -390.1 0.0 0.0 -390.1 -487.6 0.800 FIXEDHF 0.800 0 0.0 0 217 Mh 2E1523 -497.0 0.0 0.0 -497.0 -621.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3p3d 218 Mi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 219 Mi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 220 Mi 0D1535 188.2 0.0 0.0 188.2 235.3 0.800 FIXEDHF 0.800 0 0.0 0 221 Mi 2D1535 -314.3 0.0 0.0 -314.3 -392.9 0.800 FIXEDHF 0.800 0 0.0 0 222 Mi 1E1535 -714.6 0.0 0.0 -714.6 -893.2 0.800 FIXEDHF 0.800 0 0.0 0 223 Mi 3E1535 -438.8 0.0 0.0 -438.8 -548.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3s3p 224 Nh 1D1523 -342.5 0.0 0.0 -342.5 -428.1 0.800 FIXEDHF 0.800 0 0.0 0 225 Nh 2E1523 -437.5 0.0 0.0 -437.5 -546.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3p3d 226 Ni 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 227 Ni 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 228 Ni 0D1535 166.6 0.0 0.0 166.6 208.2 0.800 FIXEDHF 0.800 0 0.0 0 229 Ni 2D1535 -275.8 0.0 0.0 -275.8 -344.8 0.800 FIXEDHF 0.800 0 0.0 0 230 Ni 1E1535 -627.0 0.0 0.0 -627.0 -783.8 0.800 FIXEDHF 0.800 0 0.0 0 231 Ni 3E1535 -386.2 0.0 0.0 -386.2 -482.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3s3p 232 Oh 1D1523 -303.9 0.0 0.0 -303.9 -379.9 0.800 FIXEDHF 0.800 0 0.0 0 233 Oh 2E1523 -389.1 0.0 0.0 -389.1 -486.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3p3d 234 Oi 0D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 235 Oi 2D1113 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 0.800 0 0.0 0 236 Oi 0D1535 148.8 0.0 0.0 148.8 186.0 0.800 FIXEDHF 0.800 0 0.0 0 237 Oi 2D1535 -244.8 0.0 0.0 -244.8 -306.0 0.800 FIXEDHF 0.800 0 0.0 0 238 Oi 1E1535 -556.2 0.0 0.0 -556.2 -695.3 0.800 FIXEDHF 0.800 0 0.0 0 239 Oi 3E1535 -343.5 0.0 0.0 -343.5 -429.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5g -2p5 3p3d 240 Pi 2D1635 -421.7 0.0 0.0 -421.7 -527.1 0.800 FIXEDHF 0.800 0 0.0 0 241 Pi 3E1635 -266.4 0.0 0.0 -266.4 -333.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6g -2p5 3p3d 242 Qi 2D1635 -402.8 0.0 0.0 -402.8 -503.5 0.800 FIXEDHF 0.800 0 0.0 0 243 Qi 3E1635 -265.3 0.0 0.0 -265.3 -331.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7g -2p5 3p3d 244 Ri 2D1635 -353.0 0.0 0.0 -353.0 -441.3 0.800 FIXEDHF 0.800 0 0.0 0 245 Ri 3E1635 -238.0 0.0 0.0 -238.0 -297.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8g -2p5 3p3d 246 Si 2D1635 -305.3 0.0 0.0 -305.3 -381.6 0.800 FIXEDHF 0.800 0 0.0 0 247 Si 3E1635 -208.8 0.0 0.0 -208.8 -261.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9g -2p5 3p3d 248 Ti 2D1635 -264.8 0.0 0.0 -264.8 -331.0 0.800 FIXEDHF 0.800 0 0.0 0 249 Ti 3E1635 -182.9 0.0 0.0 -182.9 -228.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10g -2p5 3p3d 250 Ui 2D1635 -231.4 0.0 0.0 -231.4 -289.2 0.800 FIXEDHF 0.800 0 0.0 0 251 Ui 3E1635 -160.9 0.0 0.0 -160.9 -201.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11g -2p5 3p3d 252 Vi 2D1635 -203.8 0.0 0.0 -203.8 -254.8 0.800 FIXEDHF 0.800 0 0.0 0 253 Vi 3E1635 -142.5 0.0 0.0 -142.5 -178.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12g -2p5 3p3d 254 Wi 2D1635 -181.1 0.0 0.0 -181.1 -226.4 0.800 FIXEDHF 0.800 0 0.0 0 255 Wi 3E1635 -127.0 0.0 0.0 -127.0 -158.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13g -2p5 3p3d 256 Xi 2D1635 -162.2 0.0 0.0 -162.2 -202.7 0.800 FIXEDHF 0.800 0 0.0 0 257 Xi 3E1635 -114.1 0.0 0.0 -114.1 -142.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14g -2p5 3p3d 258 Yi 2D1635 -146.2 0.0 0.0 -146.2 -182.7 0.800 FIXEDHF 0.800 0 0.0 0 259 Yi 3E1635 -103.0 0.0 0.0 -103.0 -128.8 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s3p -2p5 3p3d 260 hi 2D1215 9510.6 0.0 0.0 9510.6 11888.3 0.800 FIXEDHF 0.800 0 0.0 0 261 hi 1E1215 -2435.5 0.0 0.0 -2435.5 -3044.4 0.800 FIXEDHF 0.800 0 0.0 0 262 hi 1D2335 52890.1 0.0 0.0 52890.1 66112.6 0.800 FIXEDHF 0.800 0 0.0 0 263 hi 2E2335 40143.6 0.0 0.0 40143.6 50179.5 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 69.3 43 FREE ITERATION 2 KURUCZ job terminated at 12-FEB-2013 16:15:43.78 Accounting information: Buffered I/O count: 190 Peak working set size: 9792 Direct I/O count: 539 Peak virtual size: 322592 Page faults: 2091 Mounted volumes: 0 Charged CPU time: 0 00:00:00.30 Elapsed time: 0 00:00:05.69