$ 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 1302 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN B1302O.PUN FOR007 $ASSIGN C1302O.EIG FOR003 $ASSIGN H1302O.HAM FOR001 $ASSIGN EAV1302O.DAT FOR066 $ASSIGN POOLG:B1302O15 FOR015 $ASSIGN POOLG:B1302O16 FOR016 $RUN CRAY:LEAST3007 NPAR 195 NJ 8 FIRSTJ 0.5 1 p 6 s 0 p 1 p 0 f 0 h 0 k 0 d 0 2 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 3 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 4 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 5 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 6 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 7 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 8 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 9 p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 A p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 B p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 C p 6 s 0 p 0 p 1 f 0 h 0 k 0 d 0 D p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 E p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 F p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 G p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 H p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 I p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 J p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 K p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 L p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 M p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 N p 6 s 0 p 0 p 0 f 1 h 0 k 0 d 0 O p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 P p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 Q p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 R p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 S p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 T p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 U p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 V p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 W p 6 s 0 p 0 p 0 f 0 h 1 k 0 d 0 X p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 Y p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 Z p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 a p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 b p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 c p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 d p 6 s 0 p 0 p 0 f 0 h 0 k 1 d 0 e p 5 s 2 p 0 p 0 f 0 h 0 k 0 d 0 f p 5 s 1 p 0 p 0 f 0 h 0 k 0 d 1 g p 5 s 0 p 2 p 0 f 0 h 0 k 0 d 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2P)2P 1 1.5 1(2P)2P 1 TOTAL 2 23 28 23 17 10 9 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 124 28 1 0 23 51 74 91 101 110 117 124 124 124 124 124 124 124 124 124 124 124 124 124 124 124 0 1 2 Gaardsted, J.O., Brage, T., Froese Fischer, C., and Sonnek, D. 1990. Physica Scripta 44, 336-342. 3 Brilly, J., Kennedy, E.T., and Mosnier, J.P. 1990. Physica Scripta 41, 30-34. 4 Brilly, J., Kennedy, E.T., and Mosnier, J.P. 1988. J.Phys. B 21, 3695-3693. 5 Martin, W.C. and Zalubas, R. 1980. J. Phys. Chem. Ref. Data 9, 1-58. 6 Isberg, B. 1967. Ark. Fys. 35, 551-562. 7 8 Kramida, A., Ralchenko, Yu., Reader, J. and NIST ASD Team (2012). NIST Atomic Spectra Database (ver. 5.0) 9 physics.nist.gov/asd. 1 0 0 0 0.300 1.500 1 0.7 40 40 50 50 40 30 20 20 10 10 10 10 10 10 0 0 0 0 0 0 0 0 0 1 0.7 23 28 23 17 10 9 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13.02 2p6 3p 2p6 4p 2p6 5p 2p6 6p 2p6 7p 2p6 8p 2p6 9p 2p6 10p 2p6 11p 2p6 12p 2p6 13p 2p6 14p 2p6 4f 2p6 5f 2p6 6f 2p6 7f 2p6 8f 2p6 9f 2p6 10f 2p6 11f 2p6 12f 2p6 13f 2p6 14f 2p6 6h 2p6 7h 2p6 8h 2p6 9h 2p6 10h 2p6 11h 2p6 12h 2p6 13h 2p6 14h 2p6 8k 2p6 9k 2p6 10k 2p6 11k 2p6 12k 2p6 13k 2p6 14k 2p5 3s2 2p5 3s3d 2p5 3p2 SENORITY MIXING CORRECTIONS 0 0.5 53682.93 3p 2P 3p 2P 0 0.5 143633.38 4p 2P 4p 2P 0 0.5 178433.43 5p 2P 5p 2P 0 0.5 195621.72 6p 2P 6p 2P 0 0.5 205375.74 7p 2P 7p 2P 0 0.5 211443.19 R 8p 2P 8p 2P 0 0.5 215473.96 R 9p 2P 9p 2P 0 0.5 218287.72 R 10p 2P 10p 2P 0 0.5 220329.51 R 11p 2P 11p 2P 0 0.5 221858.00 R 12p 2P 12p 2P 0 0.5 223031.91 R 13p 2P 13p 2P 0 0.5 223953.03 R 14p 2P 14p 2P 0 0.5 591470. 2p5.3s2 2P 3s2 2P 0 0.5 693650. 2p5.3p2(1D) 2P 3p2(1D) 2P 1 0.5 2p5.3p2(3P) 4P 3p2(3P) 4P 1 0.5 2p5.3p2(1D) 4D 3p2(1D) 4D 1 0.5 2p5.3p2(3P) 2S 3p2(3P) 2S 1 0.5 2p5.3s(3P)3d 4P 3s3P3d 4P 0 0.5 720300. 2p5.3s(3P)3d 4D 3s3P3d 4D 1 0.5 2p5.3p2(3P) 2P 3p2(3P) 2P 0 0.5 727500. 2p5.3s(1P)3d 2P 3s1P3d 2P 1 0.5 2p5.3p2(1S) 2P 3p2(1S) 2P 1 0.5 2p5.3p2(3P) 2P 3p2(3P) 2P 0 1.5 53916.60 3p 2P 3p 2P 0 1.5 143713.50 4p 2P 4p 2P 0 1.5 178470.32 5p 2P 5p 2P 0 1.5 195641.74 6p 2P 6p 2P 0 1.5 205387.77 7p 2P 7p 2P 0 1.5 211443.19 R 8p 2P 8p 2P 0 1.5 215473.96 R 9p 2P 9p 2P 0 1.5 218287.72 R 10p 2P 10p 2P 0 1.5 220329.51 R 11p 2P 11p 2P 0 1.5 221858.00 R 12p 2P 12p 2P 0 1.5 223031.91 R 13p 2P 13p 2P 0 1.5 223953.03 R 14p 2P 14p 2P 0 1.5 587850. 2p5.3s2 2P 2p5 3s2 2P 0 1.5 694700. 2p5.3p2(1D) 2P 3p2(1D) 2P 1 1.5 2p5.3p2(3P) 4P 3p2(3P) 4P 1 1.5 2p5.3p2(1D) 2D 3p2(1D) 2D 1 1.5 2p5.3p2(3P) 4D 3p2(3P) 4D 1 1.5 2p5.3p2(3P) 2D 3p2(3P) 2D 1 1.5 2p5.3p2(3P) 4S 3p2(3P) 4S 1 1.5 2p5.3s(3P)3d 4P 3s3P3d 4P 1 1.5 2p5.3s(3P)3d 4F 3s3P3d 4F 1 1.5 2p5.3s(3P)3d 4D 3s3P3d 4D 1 1.5 2p5.3p2(3P) 2P 3p2(3P) 2P 0 1.5 724080. 2p5.3s(1P)3d 2D 3s1P3d 2D 0 1.5 725530. 2p5.3s(1P)3d 2P 3s1P3d 2P 1 1.5 2p5.3p2(1S) 2P 3p2(1S) 2P 1 1.5 2p5.3p2(1D) 2D 3p2(1D) 2D 1 1.5 2p5.3p2(1D) 2P 3p2(1D) 2P 0 2.5 167612.75 4f 2F 4f 2F 0 2.5 189876.10 5f 2F 5f 2F 0 2.5 201971.16 6f 2F 6f 2F 0 2.5 209263.25 7f 2F 7f 2F 0 2.5 213995.48 8f 2F 8f 2F 0 2.5 217239.31 9f 2F 9f 2F 0 2.5 219559.42 R 10f 2F 10f 2F 0 2.5 221275.85 R 11f 2F 11f 2F 0 2.5 222581.22 R 12f 2F 12f 2F 0 2.5 223597.02 R 13f 2F 13f 2F 0 2.5 224402.97 R 14f 2F 14f 2F 1 2.5 2p5.3p2(1D) 2F 3p2(1D) 2F 0 2.5 700107. 2p5.3p2(3P) 4P 3p2(3P) 4P 1 2.5 2p5.3p2(3P) 2D 3p2(3P) 2D 0 2.5 705321. 2p5.3p2(3P) 4D 3p2(3P) 4D 1 2.5 2p5.3p2(3P) 2D 3p2(3P) 2D 0 2.5 715941. 2p5.3s(3P)3d 4P 3s3P3d 4P 1 2.5 2p5.3s(3P)3d 4F 3s3P3d 4F 1 2.5 2p5.3s(3P)3d 4D 3s3P3d 4D 1 2.5 2p5.3s(1P)3d 2F 3s1P3d 2F 0 2.5 724970. 2p5.3s(1P)3d 2D 3s1P3d 2D 1 2.5 2p5.3p2(1D) 2F 3p2(1D) 2F 1 2.5 2p5.3p2(1D) 2D 3p2(1D) 2D 0 3.5 167613.37 4f 2F 4f 2F 0 3.5 189876.42 5f 2F 5f 2F 0 3.5 201971.16 6f 2F 6f 2F 0 3.5 209263.25 7f 2F 7f 2F 0 3.5 213995.48 8f 2F 8f 2F 0 3.5 217239.31 9f 2F 9f 2F 0 3.5 219559.42 R 10f 2F 10f 2F 0 3.5 221275.85 R 11f 2F 11f 2F 0 3.5 222581.22 R 12f 2F 12f 2F 0 3.5 223597.02 R 13f 2F 13f 2F 0 3.5 224402.97 R 14f 2F 14f 2F 1 3.5 2p5.3p2(1D) 2F 3p2(1D) 2F 0 3.5 704503. 2p5.3p2(3P) 4D 3p2(3P) 4D 1 3.5 2p5.3s(3P)3d 4F 3s3P3d 4F 1 3.5 2p5.3s(3P)3d 4D 3s3P3d 4D 1 3.5 2p5.3s(1P)3d 2F 3s1P3d 2F 1 3.5 2p5.3s(3P)3d 2F 3s3P3d 2F 0 4.5 202009.71 6h 2H 6h 2H 0 4.5 209288.46 7h 2H 7h 2H 0 4.5 214012.93 8h 2H 8h 2H 0 4.5 217252.15 9h 2H 9h 2H 0 4.5 219569.11 R 10h 2H 10h 2H 0 4.5 221283.36 R 11h 2H 11h 2H 0 4.5 222587.15 R 12h 2H 12h 2H 0 4.5 223601.78 R 13h 2H 13h 2H 0 4.5 224406.84 R 14h 2H 14h 2H 0 4.5 716303. 2p5.3s(3P)3d 4F 3s3P3d 4F 0 5.5 202009.71 6h 2H 6h 2H 0 5.5 209288.46 7h 2H 7h 2H 0 5.5 214012.93 8h 2H 8h 2H 0 5.5 217252.15 9h 2H 9h 2H 0 5.5 219569.11 R 10h 2H 10h 2H 0 5.5 221283.36 R 11h 2H 11h 2H 0 5.5 222587.15 R 12h 2H 12h 2H 0 5.5 223601.78 R 13h 2H 13h 2H 0 5.5 224406.84 R 14h 2H 14h 2H 0 6.5 214013.97 P 8k 2K 8k 2K 0 6.5 217252.73 P 9k 2K 9k 2K 0 6.5 219569.51 R 10k 2K 10k 2K 0 6.5 221283.61 R 11k 2K 11k 2K 0 6.5 222587.31 R 12k 2K 12k 2K 0 6.5 223601.88 R 13k 2K 13k 2K 0 6.5 224406.90 R 14k 2K 14k 2K 0 7.5 214013.68 P 8k 2K 8k 2K 0 7.5 217252.73 P 9k 2K 9k 2K 0 7.5 219569.51 R 10k 2K 10k 2K 0 7.5 221283.61 R 11k 2K 11k 2K 0 7.5 222587.31 R 12k 2K 12k 2K 0 7.5 223601.88 R 13k 2K 13k 2K 0 7.5 224406.90 R 14k 2K 14k 2K 195 227.0 50 LEAST SQUARES 1 1 EAV 55852.1 161.0 53514.1 1.000 0 2770.0 0 2p6 3p 2 1 ZETA 3 154.3 215.0 169.6 1.000 0 0.0 0 3 2 EAV 143721.9 161.0 145862.8 1.000 0 -2770.0 0 2p6 4p 4 2 ZETA 4 53.4 214.0 59.0 1.000 0 0.0 0 5 3 EAV 178473.5 161.0 181009.2 1.000 0 -2770.0 0 2p6 5p 6 3 ZETA 4 24.6 214.0 27.0 1.000 0 0.0 0 7 4 EAV 195643.2 161.0 198301.8 1.000 0 -2770.0 0 2p6 6p 8 4 ZETA 4 13.3 214.0 14.6 1.000 0 0.0 0 9 5 EAV 205388.6 161.0 208098.5 1.000 0 -2770.0 0 2p6 7p 10 5 ZETA 4 8.0 214.0 8.7 1.000 0 0.0 0 11 6 EAV 211447.7 161.0 214186.2 1.000 0 -2770.0 0 2p6 8p 12 6 ZETA 4 5.6 0.0 5.6 FIXEDHF 1.000 0 0.0 0 13 7 EAV 215477.0 161.0 218228.0 1.000 0 -2770.0 0 2p6 9p 14 7 ZETA 4 3.8 0.0 3.8 FIXEDHF 1.000 0 0.0 0 15 8 EAV 218289.9 161.0 221048.4 1.000 0 -2770.0 0 2p6 10p 16 8 ZETA 4 2.8 0.0 2.8 FIXEDHF 1.000 0 0.0 0 17 9 EAV 220331.1 161.0 223095.2 1.000 0 -2770.0 0 2p6 11p 18 9 ZETA 4 2.0 0.0 2.0 FIXEDHF 1.000 0 0.0 0 19 A EAV 221859.2 161.0 224626.2 1.000 0 -2770.0 0 2p6 12p 20 A ZETA 4 1.5 0.0 1.5 FIXEDHF 1.000 0 0.0 0 21 B EAV 223032.9 161.0 225802.5 1.000 0 -2770.0 0 2p6 13p 22 B ZETA 4 1.2 0.0 1.2 FIXEDHF 1.000 0 0.0 0 23 C EAV 223953.8 161.0 226724.5 1.000 0 -2770.0 0 2p6 14p 24 C ZETA 4 0.9 0.0 0.9 FIXEDHF 1.000 0 0.0 0 25 D EAV 167614.6 161.0 170250.0 1.000 0 -2770.0 0 2p6 4f 26 D ZETA 5 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 27 E EAV 189877.1 161.0 192562.0 1.000 0 -2770.0 0 2p6 5f 28 E ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 29 F EAV 201971.7 161.0 204691.0 1.000 0 -2770.0 0 2p6 6f 30 F ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 31 G EAV 209263.6 161.0 212003.4 1.000 0 -2770.0 0 2p6 7f 32 G ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 33 H EAV 213995.7 161.0 216747.2 1.000 0 -2770.0 0 2p6 8f 34 H ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 35 I EAV 217239.5 161.0 219998.7 1.000 0 -2770.0 0 2p6 9f 36 I ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 37 J EAV 219559.5 161.0 222322.9 1.000 0 -2770.0 0 2p6 10f 38 J ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 39 K EAV 221275.9 161.0 224042.3 1.000 0 -2770.0 0 2p6 11f 40 K ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 L EAV 222581.3 161.0 225350.5 1.000 0 -2770.0 0 2p6 12f 42 L ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 M EAV 223597.1 161.0 226367.3 1.000 0 -2770.0 0 2p6 13f 44 M ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 N EAV 224403.0 161.0 227175.7 1.000 0 -2770.0 0 2p6 14f 46 N ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 O EAV 202009.7 161.0 204787.2 1.000 0 -2770.0 0 2p6 6h 48 O ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 P EAV 209288.5 161.0 212065.5 1.000 0 -2770.0 0 2p6 7h 50 P ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 Q EAV 214012.9 161.0 216789.5 1.000 0 -2770.0 0 2p6 8h 52 Q ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 R EAV 217252.2 161.0 220028.5 1.000 0 -2770.0 0 2p6 9h 54 R ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 S EAV 219569.1 161.0 222345.2 1.000 0 -2770.0 0 2p6 10h 56 S ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 T EAV 221283.4 161.0 224059.8 1.000 0 -2770.0 0 2p6 11h 58 T ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 U EAV 222587.2 161.0 225363.6 1.000 0 -2770.0 0 2p6 12h 60 U ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 V EAV 223601.8 161.0 226378.1 1.000 0 -2770.0 0 2p6 13h 62 V ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 W EAV 224406.8 161.0 227183.8 1.000 0 -2770.0 0 2p6 14h 64 W ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 X EAV 214013.8 161.0 216790.4 1.000 0 -2770.0 0 2p6 8k 66 X ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 Y EAV 217252.7 161.0 220029.0 1.000 0 -2770.0 0 2p6 9k 68 Y ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 Z EAV 219569.5 161.0 222346.0 1.000 0 -2770.0 0 2p6 10k 70 Z ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 a EAV 221283.6 161.0 224059.9 1.000 0 -2770.0 0 2p6 11k 72 a ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 b EAV 222587.3 161.0 225363.2 1.000 0 -2770.0 0 2p6 12k 74 b ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 75 c EAV 223601.9 161.0 226378.5 1.000 0 -2770.0 0 2p6 13k 76 c ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 77 d EAV 224406.9 161.0 227183.2 1.000 0 -2770.0 0 2p6 14k 78 d ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 79 e EAV 594804.5 167.0 589203.8 1.000 0 6000.0 0 2p5 3s2 80 e ZETA 1 2324.2 0.0 2324.2 FIXEDHF 1.000 0 0.0 0 81 f EAV 722832.7 86.0 716588.5 1.000 0 8000.0 0 2p5 3s3d 82 f ZETA 1 2337.6 0.0 2337.6 FIXEDHF 1.000 0 0.0 0 83 f ZETA 8 3.5 0.0 3.5 FIXEDHF 1.000 0 0.0 0 84 f F2(18) 8713.6 595.0 11325.3 0.800 0 0.0 0 85 f G1(12) 9670.8 382.0 10741.3 0.800 0 0.0 0 86 f G1(18) 4605.5 0.0 5756.9 FIXEDHF 0.800 0 0.0 0 87 f G3(18) 2589.0 0.0 3236.3 FIXEDHF 0.800 0 0.0 0 88 f G2(28) 28328.3 0.0 35410.4 FIXEDHF 0.800 0 0.0 0 89 g EAV 711658.1 111.0 705952.3 1.000 0 6000.0 0 2p5 3p2 90 g F2(33) 27027.9 0.0 43593.4 FIXEDHF 0.620 0 0.0 0 91 g ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 92 g ZETA 1 2324.4 0.0 2324.4 FIXEDHF 1.000 0 0.0 0 93 g ZETA 3 217.0 0.0 217.0 FIXEDHF 1.000 0 0.0 0 94 g F2(13) 22765.5 710.0 20312.4 0.800 0 0.0 0 95 g G0(13) 8162.2 0.0 10202.8 FIXEDHF 0.800 0 0.0 0 96 g G2(13) 7113.4 0.0 8891.7 FIXEDHF 0.800 0 0.0 0 97 1e 1D1322 -4734.5 0.0 -5918.1 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s2 98 1f 1D1328 -6123.6 0.0 -7654.5 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s3d 99 1f 1E1328 -10410.2 0.0 -13012.7 FIXEDHF 0.800 0 0.0 0 100 1g 0D1113 4852.5 0.0 6065.6 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3p2 101 1g 2D1113 21162.0 0.0 26452.5 FIXEDHF 0.800 0 0.0 0 102 1g 0D1333 267.1 0.0 333.9 FIXEDHF 0.800 0 0.0 0 103 1g 2D1333 -3347.8 0.0 -4184.7 FIXEDHF 0.800 0 0.0 0 104 2e 1D1422 -1448.2 0.0 -1810.3 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s2 105 2f 1D1428 -1621.4 0.0 -2026.8 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s3d 106 2f 1E1428 -4441.0 0.0 -5551.2 FIXEDHF 0.800 0 0.0 0 107 2g 0D1433 1573.5 0.0 1966.9 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3p2 108 2g 2D1433 -1043.8 0.0 -1304.7 FIXEDHF 0.800 0 0.0 0 109 3e 1D1422 -748.0 0.0 -935.0 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s2 110 3f 1D1428 -925.2 0.0 -1156.5 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s3d 111 3f 1E1428 -2692.1 0.0 -3365.1 FIXEDHF 0.800 0 0.0 0 112 3g 0D1433 1052.9 0.0 1316.1 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3p2 113 3g 2D1433 -539.6 0.0 -674.5 FIXEDHF 0.800 0 0.0 0 114 4e 1D1422 -475.0 0.0 -593.7 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s2 115 4f 1D1428 -625.6 0.0 -782.0 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s3d 116 4f 1E1428 -1873.3 0.0 -2341.6 FIXEDHF 0.800 0 0.0 0 117 4g 0D1433 767.8 0.0 959.7 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3p2 118 4g 2D1433 -342.0 0.0 -427.5 FIXEDHF 0.800 0 0.0 0 119 5e 1D1422 -336.9 0.0 -421.1 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s2 120 5f 1D1428 -462.2 0.0 -577.7 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s3d 121 5f 1E1428 -1406.7 0.0 -1758.4 FIXEDHF 0.800 0 0.0 0 122 5g 0D1433 591.8 0.0 739.8 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3p2 123 5g 2D1433 -242.0 0.0 -302.5 FIXEDHF 0.800 0 0.0 0 124 6e 1D1422 -255.7 0.0 -319.6 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s2 125 6f 1D1428 -360.6 0.0 -450.8 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s3d 126 6f 1E1428 -1109.1 0.0 -1386.4 FIXEDHF 0.800 0 0.0 0 127 6g 0D1433 474.3 0.0 592.9 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3p2 128 6g 2D1433 -183.4 0.0 -229.2 FIXEDHF 0.800 0 0.0 0 129 7e 1D1422 -203.1 0.0 -253.9 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s2 130 7f 1D1428 -292.2 0.0 -365.2 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s3d 131 7f 1E1428 -904.8 0.0 -1131.0 FIXEDHF 0.800 0 0.0 0 132 7g 0D1433 391.2 0.0 489.0 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3p2 133 7g 2D1433 -145.4 0.0 -181.8 FIXEDHF 0.800 0 0.0 0 134 8e 1D1422 -166.7 0.0 -208.4 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s2 135 8f 1D1428 -243.2 0.0 -304.0 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s3d 136 8f 1E1428 -757.0 0.0 -946.3 FIXEDHF 0.800 0 0.0 0 137 8g 0D1433 329.8 0.0 412.3 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3p2 138 8g 2D1433 -119.3 0.0 -149.1 FIXEDHF 0.800 0 0.0 0 139 9e 1D1422 -140.2 0.0 -175.2 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s2 140 9f 1D1428 -206.7 0.0 -258.4 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s3d 141 9f 1E1428 -645.9 0.0 -807.4 FIXEDHF 0.800 0 0.0 0 142 9g 0D1433 283.0 0.0 353.8 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3p2 143 9g 2D1433 -100.2 0.0 -125.2 FIXEDHF 0.800 0 0.0 0 144 Ae 1D1422 -120.1 0.0 -150.1 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s2 145 Af 1D1428 -178.6 0.0 -223.3 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s3d 146 Af 1E1428 -559.8 0.0 -699.7 FIXEDHF 0.800 0 0.0 0 147 Ag 0D1433 246.3 0.0 307.9 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3p2 148 Ag 2D1433 -85.8 0.0 -107.2 FIXEDHF 0.800 0 0.0 0 149 Be 1D1422 -104.5 0.0 -130.6 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s2 150 Bf 1D1428 -156.4 0.0 -195.5 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s3d 151 Bf 1E1428 -491.3 0.0 -614.1 FIXEDHF 0.800 0 0.0 0 152 Bg 0D1433 216.9 0.0 271.1 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3p2 153 Bg 2D1433 -74.6 0.0 -93.2 FIXEDHF 0.800 0 0.0 0 154 Ce 1D1422 -92.0 0.0 -115.0 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s2 155 Cf 1D1428 -138.5 0.0 -173.1 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s3d 156 Cf 1E1428 -435.8 0.0 -544.8 FIXEDHF 0.800 0 0.0 0 157 Cg 0D1433 193.0 0.0 241.2 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3p2 158 Cg 2D1433 -65.7 0.0 -82.1 FIXEDHF 0.800 0 0.0 0 159 Df 1D1528 1797.0 0.0 2246.2 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3s3d 160 Df 3E1528 712.1 0.0 890.1 FIXEDHF 0.800 0 0.0 0 161 Dg 2D1533 1037.7 0.0 1297.1 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3p2 162 Ef 1D1528 1324.8 0.0 1656.0 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3s3d 163 Ef 3E1528 614.4 0.0 768.0 FIXEDHF 0.800 0 0.0 0 164 Eg 2D1533 855.8 0.0 1069.8 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3p2 165 Ff 1D1528 1011.0 0.0 1263.7 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3s3d 166 Ff 3E1528 504.6 0.0 630.8 FIXEDHF 0.800 0 0.0 0 167 Fg 2D1533 687.2 0.0 859.0 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3p2 168 Gf 1D1528 801.8 0.0 1002.3 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3s3d 169 Gf 3E1528 417.2 0.0 521.5 FIXEDHF 0.800 0 0.0 0 170 Gg 2D1533 560.6 0.0 700.8 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3p2 171 Hf 1D1528 655.6 0.0 819.5 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3s3d 172 Hf 3E1528 350.1 0.0 437.6 FIXEDHF 0.800 0 0.0 0 173 Hg 2D1533 466.5 0.0 583.1 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3p2 174 If 1D1528 549.0 0.0 686.2 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3s3d 175 If 3E1528 298.3 0.0 372.9 FIXEDHF 0.800 0 0.0 0 176 Ig 2D1533 395.2 0.0 494.0 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3p2 177 Jf 1D1528 468.4 0.0 585.5 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3s3d 178 Jf 3E1528 257.8 0.0 322.2 FIXEDHF 0.800 0 0.0 0 179 Jg 2D1533 340.0 0.0 425.0 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3p2 180 Kf 1D1528 405.8 0.0 507.3 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3s3d 181 Kf 3E1528 225.4 0.0 281.7 FIXEDHF 0.800 0 0.0 0 182 Kg 2D1533 296.4 0.0 370.5 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3p2 183 Lf 1D1528 356.1 0.0 445.1 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3s3d 184 Lf 3E1528 199.1 0.0 248.9 FIXEDHF 0.800 0 0.0 0 185 Lg 2D1533 261.2 0.0 326.5 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3p2 186 Mf 1D1528 315.8 0.0 394.7 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3s3d 187 Mf 3E1528 177.5 0.0 221.9 FIXEDHF 0.800 0 0.0 0 188 Mg 2D1533 232.5 0.0 290.6 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3p2 189 Nf 1D1528 282.5 0.0 353.1 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3s3d 190 Nf 3E1528 159.5 0.0 199.4 FIXEDHF 0.800 0 0.0 0 191 Ng 2D1533 208.6 0.0 260.7 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3p2 192 ef 2D1218 7195.0 0.0 8993.7 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3s3d 193 ef 1E1218 -1173.9 0.0 -1467.4 FIXEDHF 0.800 0 0.0 0 194 eg 1D2233 47915.8 0.0 59894.8 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3p2 195 fg 1D2833 41740.8 0.0 52176.0 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3p2 13.02 J 0.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 53682.93 53682.913 0.0 0.666 3p 2P 0.999 1(2P)2P 1 0.042 g(3P)2P 20 0.030 g(1D)2P 21 2 143633.38 143633.333 0.0 0.666 4p 2P -1.000 2(2P)2P 2 3 178433.43 178433.454 0.0 0.666 5p 2P 1.000 3(2P)2P 3 4 195621.72 195621.721 0.0 0.666 6p 2P -1.000 4(2P)2P 4 5 205375.74 205375.745 0.0 0.666 7p 2P -1.000 5(2P)2P 5 6 211443.19 R 211438.983 -4.2 0.666 8p 2P 1.000 6(2P)2P 6 7 215473.96 R 215471.080 -2.9 0.666 9p 2P -1.000 7(2P)2P 7 8 218287.72 R 218285.593 -2.1 0.666 10p 2P 1.000 8(2P)2P 8 9 220329.51 R 220327.991 -1.5 0.666 11p 2P -1.000 9(2P)2P 9 10 221858.00 R 221856.860 -1.1 0.666 12p 2P 1.000 A(2P)2P 10 11 223031.91 R 223031.049 -0.9 0.666 13p 2P -1.000 B(2P)2P 11 12 223953.03 R 223952.385 -0.6 0.666 14p 2P -1.000 C(2P)2P 12 13 591470. 591401.149 -68.9 0.666 3s2 2P 0.979 e(2P)2P 13 0.200 g(1S)2P 22 14 693650. 693938.017 288.0 0.669 3p2(1D) 2P -0.760 g(1D)2P 21 0.449 g(3P)2P 20 0.394 f(3P)2P 17 15 700873.841 2.643 3p2(3P) 4P -0.990 g(3P)4P 19 0.113 g(3P)2S 23 0.073 g(3P)4D 18 16 707242.418 0.015 3p2(1D) 4D 0.995 g(3P)4D 18 0.074 g(3P)4P 19 -0.041 g(1D)2P 21 17 714005.951 2.009 3p2(3P) 2S 0.993 g(3P)2S 23 0.113 g(3P)4P 19 18 715169.550 2.640 3s3P3d 4P 0.994 f(3P)4P 15 -0.102 f(3P)4D 14 19 720300. 719892.397 -407.6 0.066 3s3P3d 4D -0.960 f(3P)4D 14 0.228 f(1P)2P 16 0.134 f(3P)2P 17 20 724963.683 0.666 3p2(3P) 2P 0.609 g(3P)2P 20 -0.554 g(1S)2P 22 -0.486 f(3P)2P 17 J 0.5 21 727500. 726554.408 -945.6 0.628 3s1P3d 2P -0.844 f(1P)2P 16 -0.463 f(3P)2P 17 -0.260 f(3P)4D 14 22 736735.634 0.666 3p2(1S) 2P -0.795 g(1S)2P 22 -0.417 g(3P)2P 20 0.347 f(3P)2P 17 23 752388.312 0.666 3p2(3P) 2P 0.630 g(1D)2P 21 0.503 f(3P)2P 17 0.499 g(3P)2P 20 23 VECTORS WRITTEN TO UNIT 3 13.02 J 1.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 53916.60 53916.565 0.0 1.334 3p 2P 0.999 1(2P)2P 1 0.042 g(3P)2P 26 0.030 g(1D)2P 27 2 143713.50 143713.481 0.0 1.334 4p 2P -1.000 2(2P)2P 2 3 178470.32 178470.378 0.1 1.334 5p 2P 1.000 3(2P)2P 3 4 195641.74 195641.685 -0.1 1.334 6p 2P -1.000 4(2P)2P 4 5 205387.77 205387.753 0.0 1.334 7p 2P 1.000 5(2P)2P 5 6 211443.19 R 211447.388 4.2 1.334 8p 2P -1.000 6(2P)2P 6 7 215473.96 R 215476.784 2.8 1.334 9p 2P 1.000 7(2P)2P 7 8 218287.72 R 218289.796 2.1 1.334 10p 2P -1.000 8(2P)2P 8 9 220329.51 R 220330.993 1.5 1.334 11p 2P 1.000 9(2P)2P 9 10 221858.00 R 221859.111 1.1 1.334 12p 2P 1.000 A(2P)2P 10 11 223031.91 R 223032.850 0.9 1.334 13p 2P -1.000 B(2P)2P 11 12 223953.03 R 223953.736 0.7 1.334 14p 2P -1.000 C(2P)2P 12 13 587850. 587917.800 67.8 1.334 2p5 3s2 2P 0.979 e(2P)2P 13 0.200 g(1S)2P 28 14 694700. 694943.737 243.7 1.317 3p2(1D) 2P -0.738 g(1D)2P 27 0.450 g(3P)2P 26 0.379 f(3P)2P 20 15 700311.561 1.723 3p2(3P) 4P 0.982 g(3P)4P 22 -0.125 g(3P)4D 21 -0.099 g(3P)4S 23 16 703123.736 0.825 3p2(1D) 2D -0.775 g(1D)2D 25 0.519 f(3P)2D 18 -0.215 f(1P)2D 17 17 706275.255 1.137 3p2(3P) 4D -0.902 g(3P)4D 21 -0.391 g(3P)2D 24 0.110 g(1D)2D 25 18 709536.437 0.871 3p2(3P) 2D -0.899 g(3P)2D 24 0.404 g(3P)4D 21 0.108 g(1D)2D 25 19 713957.324 1.996 3p2(3P) 4S -0.993 g(3P)4S 23 -0.099 g(3P)4P 22 0.038 f(3P)2P 20 20 715538.007 1.708 3s3P3d 4P 0.975 f(3P)4P 16 -0.209 f(3P)4D 15 -0.050 f(1P)2P 19 J 1.5 21 718420.634 0.549 3s3P3d 4F 0.891 f(3P)4F 14 -0.381 f(3P)4D 15 -0.193 f(1P)2D 17 22 720306.364 1.099 3s3P3d 4D -0.874 f(3P)4D 15 -0.391 f(3P)4F 14 0.199 f(1P)2P 19 23 724096.803 1.327 3p2(3P) 2P -0.690 g(1S)2P 28 0.494 g(3P)2P 26 -0.445 f(3P)2P 20 24 724080. 724325.812 245.8 0.869 3s1P3d 2D -0.747 f(1P)2D 17 -0.462 f(3P)2D 18 -0.365 f(1P)2P 19 25 725530. 726139.136 609.1 1.252 3s1P3d 2P -0.779 f(1P)2P 19 -0.428 f(3P)2P 20 0.323 f(1P)2D 17 26 735379.050 1.333 3p2(1S) 2P 0.673 g(1S)2P 28 0.540 g(3P)2P 26 -0.418 f(3P)2P 20 27 748577.425 0.838 3p2(1D) 2D -0.632 f(3P)2D 18 -0.555 g(1D)2D 25 0.469 f(1P)2D 17 28 754326.978 1.298 3p2(1D) 2P 0.613 g(1D)2P 27 0.501 f(3P)2P 20 0.459 g(3P)2P 26 28 VECTORS WRITTEN TO UNIT 3 13.02 J 2.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 167612.75 167612.485 -0.3 0.857 4f 2F 1.000 D(1S)2F 1 2 189876.10 189876.044 -0.1 0.857 5f 2F 1.000 E(1S)2F 2 3 201971.16 201970.991 -0.2 0.857 6f 2F 1.000 F(1S)2F 3 4 209263.25 209263.075 -0.2 0.857 7f 2F -1.000 G(1S)2F 4 5 213995.48 213995.481 0.0 0.857 8f 2F 1.000 H(1S)2F 5 6 217239.31 217239.345 0.0 0.857 9f 2F -1.000 I(1S)2F 6 7 219559.42 R 219559.387 0.0 0.857 10f 2F -1.000 J(1S)2F 7 8 221275.85 R 221275.815 0.0 0.857 11f 2F 1.000 K(1S)2F 8 9 222581.22 R 222581.234 0.0 0.857 12f 2F 1.000 L(1S)2F 9 10 223597.02 R 223597.048 0.0 0.857 13f 2F -1.000 M(1S)2F 10 11 224402.97 R 224402.958 0.0 0.857 14f 2F 1.000 N(1S)2F 11 12 698163.342 0.900 3p2(1D) 2F -0.784 g(1D)2F 21 0.465 f(3P)2F 16 0.285 g(1D)2D 23 13 700107. 699473.033 -634.0 1.595 3p2(3P) 4P -0.988 g(3P)4P 20 0.135 g(3P)4D 19 -0.065 g(3P)2D 22 14 702474.551 1.159 3p2(3P) 2D 0.749 g(1D)2D 23 -0.501 f(3P)2D 18 0.294 g(1D)2F 21 15 705321. 705423.594 102.6 1.356 3p2(3P) 4D -0.938 g(3P)4D 19 -0.317 g(3P)2D 22 -0.107 g(3P)4P 20 16 710682.762 1.222 3p2(3P) 2D 0.935 g(3P)2D 22 -0.315 g(3P)4D 19 -0.106 g(3P)4P 20 17 715941. 716240.889 299.9 1.567 3s3P3d 4P -0.933 f(3P)4P 14 0.327 f(3P)4D 13 -0.098 f(1P)2D 17 18 717702.150 1.076 3s3P3d 4F -0.908 f(3P)4F 12 0.297 f(3P)4D 13 0.178 f(3P)4P 14 19 720132.033 1.288 3s3P3d 4D -0.841 f(3P)4D 13 -0.308 f(1P)2F 15 -0.279 f(3P)4F 12 20 722808.398 0.937 3s1P3d 2F 0.748 f(1P)2F 15 0.474 f(3P)2F 16 -0.303 f(3P)4D 13 J 2.5 21 724970. 725064.126 94.1 1.192 3s1P3d 2D 0.797 f(1P)2D 17 0.505 f(3P)2D 18 -0.175 f(1P)2F 15 22 745451.955 0.942 3p2(1D) 2F -0.592 f(3P)2F 16 -0.465 g(1D)2F 21 0.430 f(1P)2F 15 23 748781.626 1.115 3p2(1D) 2D 0.569 f(3P)2D 18 0.500 g(1D)2D 23 -0.422 f(1P)2D 17 23 VECTORS WRITTEN TO UNIT 3 13.02 J 3.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 167613.37 167613.533 0.2 1.143 4f 2F 1.000 D(1S)2F 1 2 189876.42 189876.393 0.0 1.143 5f 2F 1.000 E(1S)2F 2 3 201971.16 201971.340 0.2 1.143 6f 2F 1.000 F(1S)2F 3 4 209263.25 209263.425 0.2 1.143 7f 2F -1.000 G(1S)2F 4 5 213995.48 213995.480 0.0 1.143 8f 2F 1.000 H(1S)2F 5 6 217239.31 217239.345 0.0 1.143 9f 2F -1.000 I(1S)2F 6 7 219559.42 R 219559.387 0.0 1.143 10f 2F 1.000 J(1S)2F 7 8 221275.85 R 221275.815 0.0 1.143 11f 2F -1.000 K(1S)2F 8 9 222581.22 R 222581.234 0.0 1.143 12f 2F -1.000 L(1S)2F 9 10 223597.02 R 223597.048 0.0 1.143 13f 2F 1.000 M(1S)2F 10 11 224402.97 R 224402.958 0.0 1.143 14f 2F 1.000 N(1S)2F 11 12 695993.701 1.143 3p2(1D) 2F -0.838 g(1D)2F 17 0.494 f(3P)2F 15 -0.230 f(1P)2F 14 13 704503. 704604.213 101.2 1.429 3p2(3P) 4D 1.000 g(3P)4D 16 14 716947.621 1.255 3s3P3d 4F -0.939 f(3P)4F 12 0.310 f(3P)4D 13 -0.123 f(1P)2F 14 15 719195.619 1.387 3s3P3d 4D 0.911 f(3P)4D 13 0.275 f(1P)2F 14 0.250 f(3P)4F 12 16 723930.566 1.169 3s1P3d 2F 0.775 f(1P)2F 14 0.513 f(3P)2F 15 -0.271 f(3P)4D 13 17 743586.031 1.143 3s3P3d 2F -0.676 f(3P)2F 15 -0.537 g(1D)2F 17 0.505 f(1P)2F 14 17 VECTORS WRITTEN TO UNIT 3 13.02 J 4.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 202009.71 202009.700 0.0 0.909 6h 2H 1.000 O(1S)2H 1 2 209288.46 209288.500 0.0 0.909 7h 2H 1.000 P(1S)2H 2 3 214012.93 214012.900 0.0 0.909 8h 2H 1.000 Q(1S)2H 3 4 217252.15 217252.200 0.1 0.909 9h 2H 1.000 R(1S)2H 4 5 219569.11 R 219569.100 0.0 0.909 10h 2H 1.000 S(1S)2H 5 6 221283.36 R 221283.400 0.0 0.909 11h 2H 1.000 T(1S)2H 6 7 222587.15 R 222587.200 0.1 0.909 12h 2H 1.000 U(1S)2H 7 8 223601.78 R 223601.800 0.0 0.909 13h 2H 1.000 V(1S)2H 8 9 224406.84 R 224406.800 0.0 0.909 14h 2H 1.000 W(1S)2H 9 10 716303. 716306.854 3.9 1.334 3s3P3d 4F 1.000 f(3P)4F 10 10 VECTORS WRITTEN TO UNIT 3 13.02 J 5.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 202009.71 202009.700 0.0 1.091 6h 2H 1.000 O(1S)2H 1 2 209288.46 209288.500 0.0 1.091 7h 2H 1.000 P(1S)2H 2 3 214012.93 214012.900 0.0 1.091 8h 2H 1.000 Q(1S)2H 3 4 217252.15 217252.200 0.1 1.091 9h 2H 1.000 R(1S)2H 4 5 219569.11 R 219569.100 0.0 1.091 10h 2H 1.000 S(1S)2H 5 6 221283.36 R 221283.400 0.0 1.091 11h 2H 1.000 T(1S)2H 6 7 222587.15 R 222587.200 0.1 1.091 12h 2H 1.000 U(1S)2H 7 8 223601.78 R 223601.800 0.0 1.091 13h 2H 1.000 V(1S)2H 8 9 224406.84 R 224406.800 0.0 1.091 14h 2H 1.000 W(1S)2H 9 9 VECTORS WRITTEN TO UNIT 3 13.02 J 6.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 214013.97 P 214013.800 -0.2 0.933 8k 2K 1.000 X(1S)2K 1 2 217252.73 P 217252.700 0.0 0.933 9k 2K 1.000 Y(1S)2K 2 3 219569.51 R 219569.500 0.0 0.933 10k 2K 1.000 Z(1S)2K 3 4 221283.61 R 221283.600 0.0 0.933 11k 2K 1.000 a(1S)2K 4 5 222587.31 R 222587.300 0.0 0.933 12k 2K 1.000 b(1S)2K 5 6 223601.88 R 223601.900 0.0 0.933 13k 2K 1.000 c(1S)2K 6 7 224406.90 R 224406.900 0.0 0.933 14k 2K 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 13.02 J 7.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 214013.68 P 214013.800 0.1 1.067 8k 2K 1.000 X(1S)2K 1 2 217252.73 P 217252.700 0.0 1.067 9k 2K 1.000 Y(1S)2K 2 3 219569.51 R 219569.500 0.0 1.067 10k 2K 1.000 Z(1S)2K 3 4 221283.61 R 221283.600 0.0 1.067 11k 2K 1.000 a(1S)2K 4 5 222587.31 R 222587.300 0.0 1.067 12k 2K 1.000 b(1S)2K 5 6 223601.88 R 223601.900 0.0 1.067 13k 2K 1.000 c(1S)2K 6 7 224406.90 R 224406.900 0.0 1.067 14k 2K 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 10-FEB-2013 16:47:18.79 Accounting information: Buffered I/O count: 154 Peak working set size: 9376 Direct I/O count: 229 Peak virtual size: 322592 Page faults: 2065 Mounted volumes: 0 Charged CPU time: 0 00:00:00.20 Elapsed time: 0 00:00:02.28