$ 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 2203 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN B2203O.PUN FOR007 $ASSIGN C2203O.EIG FOR003 $ASSIGN H2203O.HAM FOR001 $ASSIGN EAV2203O.DAT FOR066 $ASSIGN POOLG:B2203O15 FOR015 $ASSIGN POOLG:B2203O16 FOR016 $RUN CRAY:LEAST3007 NPAR 233 NJ 8 FIRSTJ 0.5 1 p 6 d 0 s 0 p 1 p 0 f 0 h 0 k 0 2 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 3 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 4 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 5 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 6 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 7 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 8 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 9 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 A p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 B p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 C p 5 d 0 s 0 p 2 p 0 f 0 h 0 k 0 D p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 E p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 F p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 G p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 H p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 I p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 J p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 K p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 L p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 M p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 N p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 O p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 P p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 Q p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 R p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 S p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 T p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 U p 5 d 2 s 0 p 0 p 0 f 0 h 0 k 0 V p 5 d 1 s 1 p 0 p 0 f 0 h 0 k 0 W p 5 d 0 s 2 p 0 p 0 f 0 h 0 k 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2P)2P 1 1.5 1(2P)2P 1 TOTAL 2 29 38 34 26 10 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 147 38 1 0 29 67 101 127 137 143 145 147 147 147 147 147 147 147 147 147 147 147 147 147 147 147 0 1 2 3 4 5 Ryabtsev, A.N., Churilov, S.S., and Kononov, E.Ya. 2005. Optics and Spectroscopy 98, 519-527. 6 Swensson, J.W. and Edlen, B. 1974. Physica Scripta 9, 335-337. 7 8 9 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 29 38 34 26 10 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22.03 3p6 4p 3p6 5p 3p6 6p 3p6 7p 3p6 8p 3p6 9p 3p6 10p 3p6 11p 3p6 12p 3p6 13p 3p6 14p 3p5 4p2 3p6 4f 3p6 5f 3p6 6f 3p6 7f 3p6 8f 3p6 9f 3p6 10f 3p6 11f 3p6 12f 3p6 13f 3p6 14f 3p6 6h 3p6 7h 3p6 8h 3p6 9h 3p6 8k 3p6 9k 3p5 3d2 3p5 3d4s 3p5 4s2 SENORITY MIXING CORRECTIONS 0 0.5 127921.36 3p6 4p 2P 4p 2P 0 0.5 230608.89 3p6 5p 2P 5p 2P 1 0.5 3p5 3d2(3F) 4D d2(3F) 4D 1 0.5 3p5 3d2(3P) 4P d2(3P) 4P 0 0.5 274726.29 3p6 6p 2P 6p 2P 1 0.5 3p5 3d2(1D) 2P d2(1D) 2P 0 0.5 298026. 3p6 7p 2P 7p 2P 1 0.5 3p5 3d2(3P) 4D d2(3P) 4D 0 0.5 311809. 3p6 8p 2P 8p 2P 1 0.5 3p5 3d2(3P) 2S d2(3P) 2S 0 0.5 320662. 3p6 9p 2P 9p 2P 0 0.5 326694. 3p6 10p 2P 10p 2P 0 0.5 330981. R 3p6 11p 2P 11p 2P 1 0.5 3p5 3d2(1S) 2P d2(1S) 2P 0 0.5 334140. R 3p6 12p 2P 12p 2P 0 0.5 336534. R 3p6 13p 2P 13p 2P 0 0.5 338392. R 3p6 14p 2P 14p 2P 1 0.5 3p5 3d(3P)4s 4P 3d3P4s 4P 0 0.5 358210. 3p5 3d(3P)4s 2P 3d3P4s 2P 0 0.5 383380. 3p5 3d2(3P) 2P d2(3P) 2P 1 0.5 3p5 3d(3D)4s 4D 3d3D4s 4D 1 0.5 472720. 3p5 3d(1P)4s 2P 3d1P4s 2P 0 -1.0 0 1.5 128739.59 3p6 4p 2P 4p 2P 0 1.5 230924.38 3p6 5p 2P 5p 2P 1 1.5 3p5 3d2(3F) 4D d2(3F) 4D 1 1.5 3p5 3d2(3P) 4P d2(3P) 4P 0 1.5 274881.21 3p6 6p 2P 6p 2P 0 1.5 280613. 3p5 3d2(3F) 4F d2(3F) 4F 1 1.5 3p5 3d2(1D) 2D d2(1D) 2D 1 1.5 3p5 3d2(1D) 2P d2(1D) 2P 0 1.5 298124. 3p6 7p 2P 7p 2P 1 1.5 3p5 3d2(3P) 4D d2(3P) 4D 1 1.5 3p5 3d2(3P) 2D d2(3P) 2D 0 1.5 311860. 3p6 8p 2P 8p 2P 1 1.5 3p5 3d2(3P) 4S d2(3P) 4S 0 1.5 320697. 3p6 9p 2P 9p 2P 0 1.5 326707. 3p6 10p 2P 10p 2P 1 1.5 3p5 3d2(1S) 2P d2(1S) 2P 0 1.5 330988. R 3p6 11p 2P 11p 2P 0 1.5 334143. R 3p6 12p 2P 12p 2P 0 1.5 336535. R 3p6 13p 2P 13p 2P 0 1.5 338391. R 3p6 14p 2P 14p 2P 1 1.5 3p5 3d(3P)4s 4P 3d3P4s 4P 0 1.5 360110. 3p5 3d(3P)4s 2P 3d3P4s 2P 0 1.5 367928. 3p5 3d(3F)4s 4F 3d3F4s 4F 0 1.5 384393. 3p5 3d2(3P) 2P d2(3P) 2P 1 1.5 3p5 3d2(3F) 2D d2(3F) 2D 0 1.5 385552. 3p5 3d(3D)4s 4D 3d3D4s 4D 1 1.5 3p5 3d(1D)4s 2D 3d1D4s 2D 0 1.5 395914. 3p5 3d(3D)4s 2 3d3D4s 2D 1 1.5 472290. 3p5 3d(1P)4s 2P 3d1P4s 2P 0 -1.0 0 2.5 236135.29 3p6 4f 2F 4f 2F 1 2.5 3p5 3d2(3F) 4D d2(3F) 4D 1 2.5 3p5 3d2(3P) 4P d2(3P) 4P 0 2.5 274839.82 3p5 3d2(3F) 4G d2(3F) 4G 0 2.5 275847.01 3p6 5f 2F 5f 2F 0 2.5 280713. 3p5 3d2(3F) 4F d2(3F) 4F 0 2.5 282374. 3p5 3d2(1D) 2D d2(1D) 2D 0 2.5 281810. 3p5 3d2(1G) 2F d2(1G) 2F 0 2.5 296264. 3p5 3d2(1D) 2F d2(1D) 2F 0 2.5 300001. 3p6 6f 2F 6f 2F 1 2.5 3p5 3d2(3P) 4D d2(3P) 4D 0 2.5 312284. 3p6 7f 2F 7f 2F 1 2.5 3p5 3d2(3P) 2D d2(3P) 2D 0 2.5 320829. 3p6 8f 2F 8f 2F 1 2.5 3p6 9f 2F 9f 2F 1 2.5 3p6 10f 2F 10f 2F 1 2.5 3p6 11f 2F 11f 2F 1 2.5 3p6 12f 2F 12f 2F 1 2.5 3p6 13f 2F 13f 2F 1 2.5 3p6 14f 2F 14f 2F 1 2.5 3p5 3d(3P)4s 4P 3d3P4s 4P 1 2.5 352630. 3p5 3d2(3F) 2F d2(3F) 2F 0 2.5 367249. 3p5 3d(3F)4s 4F 3d3F4s 4F 0 2.5 373680. 3p5 3d(3F)4s 2F 3d3F4s 2F 1 2.5 3p5 3d2(3F) 2D d2(3F) 2D 0 2.5 385252. 3p5 3d(3D)4s 4D 3d3D4s 4D 0 2.5 387702. 3p5 3d(1D)4s 2D 3d1D4s 2D 0 2.5 389360. 3p5 3d(1F)4s 2F 3d1F4s 2F 0 2.5 395869. 3p5 3d(3D)4s 2D 3d3D4s 2D 0 -1.0 0 3.5 236142.30 3p6 4f 2F 4f 2F 1 3.5 3p5 3d2(3F) 4D d2(3F) 4D 0 3.5 274850. 3p5 3d2(3F) 4G d2(3F) 4G 0 3.5 275861.94 3p6 5f 2F 5f 2F 0 3.5 281387. 3p5 3d2(3F) 4F d2(3F) 4F 0 3.5 283057. 3p5 3d2)1G) 2F d2(1G) 2F 0 3.5 292994. 3p5 3d2(1D) 2F d2(1D) 2F 1 3.5 3p5 3d2(3F) 2G d2(3F) 2G 0 3.5 299374. 3p6 6f 2F 6f 2F 1 3.5 3p5 3d2(3P) 4D d2(3P) 4D 0 3.5 312262. 3p6 7f 2F 7f 2F 1 3.5 3p5 3d2(1G) 2G d2(1G) 2G 0 3.5 320837. 3p6 8f 2F 8f 2F 1 3.5 3p6 9f 2F 9f 2F 1 3.5 3p6 10f 2F 10f 2F 1 3.5 3p6 11f 2F 11f 2F 1 3.5 3p6 12f 2F 12f 2F 1 3.5 3p6 13f 2F 13f 2F 1 3.5 3p6 14f 2F 14f 2F 1 3.5 352250. 3p5 3d2(3F) 2F d2(3F) 2F 1 3.5 3p5 3d(3F)4s 4F 3d3F4s 4F 0 3.5 371330. 3p5 3d(3F)4s 2F 3d3F4s 2F 1 3.5 3p5 3d(3D)4s 4D 3d3D4s 4D 0 3.5 390110. 3p5 3d(1F)4s 2F 3d1F4s 2F 0 -1.0 1 4.5 3p5 3d2(3F) 4G d2(3F) 4G 1 4.5 3p5 3d2(3F) 4F d2(3F) 4F 1 4.5 3p5 3d2(1G) 2H d2(1G) 2H 1 4.5 3p5 3d2(3F) 2G d2(3F) 2G 0 4.5 300158.76 3p6 6h 2H 6h 2H 0 4.5 313110.72 3p6 7h 2H 7h 2H 1 4.5 3p5 3d2(1G) 2G d2(1G) 2G 0 4.5 321517.39 P 3p6 8h 2H 8h 2H 0 4.5 327280.92 R 3p6 9h 2H 9h 2H 1 4.5 3p5 3d(3F)4s 4F 3d3F4s 4F 1 5.5 3p5 3d2(3F) 4G d2(3F) 4G 1 5.5 3p5 3d2(1G) 2H d2(1G) 2H 0 5.5 300158.76 3p6 6h 2H 6h 2H 0 5.5 313110.72 3p6 7h 2H 7h 2H 0 5.5 321517.39 P 3p6 8h 2H 8h 2H 0 5.5 327280.92 R 3p6 9h 2H 9h 2H 0 6.5 321535. 3p6 8k 2K 8k 2K estimate 0 6.5 327293. 3p6 9k 2K 9k 2K estimate 0 7.5 321535. 3p6 8k 2K 8k 2K estimate 0 7.5 327293. 3p6 9k 2K 9k 2K estimate 233 454.4 34 LEAST SQUARES 1 1 EAV 130515.7 323.0 126635.2 1.000 0 0.0 0 3p6 4p 2 1 ZETA 4 544.5 431.0 598.7 1.000 0 0.0 0 3 2 EAV 231169.4 322.0 229583.1 1.000 0 0.0 0 3p6 5p 4 2 ZETA 5 209.6 429.0 231.2 1.000 0 0.0 0 5 3 EAV 275021.3 323.0 273387.9 1.000 0 0.0 0 3p6 6p 6 3 ZETA 5 103.0 430.0 113.2 1.000 0 0.0 0 7 4 EAV 298170.8 322.0 296461.2 1.000 0 0.0 0 3p6 7p 8 4 ZETA 5 62.6 429.0 63.9 1.000 0 0.0 0 9 5 EAV 311901.6 322.0 310152.8 1.000 0 0.0 0 3p6 8p 10 5 ZETA 5 33.0 429.0 39.6 0.900 0 0.0 0 11 6 EAV 320727.8 322.0 318949.3 1.000 0 0.0 0 3p6 9p 12 6 ZETA 5 22.9 429.0 26.3 0.900 0 0.0 0 13 7 EAV 326738.5 322.0 324938.5 1.000 0 0.0 0 3p6 10p 14 7 ZETA 5 16.5 0.0 18.3 FIXEDHF 0.900 0 0.0 0 15 8 EAV 331010.9 322.0 329201.4 1.000 0 0.0 0 3p6 11p 16 8 ZETA 5 12.0 0.0 13.3 FIXEDHF 0.900 0 0.0 0 17 9 EAV 334158.6 322.0 332345.7 1.000 0 0.0 0 3p6 12p 18 9 ZETA 5 8.9 0.0 9.9 FIXEDHF 0.900 0 0.0 0 19 A EAV 336549.1 321.0 334727.8 1.000 0 0.0 0 3p6 13p 20 A ZETA 5 6.8 0.0 7.6 FIXEDHF 0.900 0 0.0 0 21 B EAV 338403.4 321.0 336578.9 1.000 0 0.0 0 3p6 14p 22 B ZETA 5 5.4 0.0 6.0 FIXEDHF 0.900 0 0.0 0 23 C EAV 601795.8 0.0 601795.8 FIXEDHF 1.000 0 0.0 0 3p5 4p2 24 C F2(44) 30771.3 0.0 38464.1 FIXEDHF 0.800 0 0.0 0 25 C ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 26 C ZETA 1 3964.0 0.0 3964.0 FIXEDHF 1.000 0 0.0 0 27 C ZETA 4 687.5 0.0 687.5 FIXEDHF 1.000 0 0.0 0 28 C F2(14) 18740.4 0.0 23425.5 FIXEDHF 0.800 0 0.0 0 29 C G0(14) 5597.6 0.0 6997.0 FIXEDHF 0.800 0 0.0 0 30 C G2(14) 6172.0 0.0 7715.0 FIXEDHF 0.800 0 0.0 0 31 D EAV 236894.7 324.0 234613.2 1.000 0 0.0 0 3p6 4f 32 D ZETA 6 0.9 0.0 0.9 FIXEDHF 1.000 0 0.0 0 33 E EAV 277198.9 366.0 275392.9 1.000 0 0.0 0 3p6 5f 34 E ZETA 6 0.5 0.0 0.5 FIXEDHF 1.000 0 0.0 0 35 F EAV 299174.6 389.0 297456.1 1.000 0 0.0 0 3p6 6f 36 F ZETA 6 0.3 0.0 0.3 FIXEDHF 1.000 0 0.0 0 37 G EAV 312557.8 329.0 310715.8 1.000 0 0.0 0 3p6 7f 38 G ZETA 6 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 39 H EAV 321122.2 327.0 319298.2 1.000 0 0.0 0 3p6 8f 40 H ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 41 I EAV 327002.9 0.0 325169.9 FIXEDHF 1.000 0 1833.0 0 3p6 9f 42 I ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 43 J EAV 331196.9 0.0 329363.9 FIXEDHF 1.000 0 1833.0 0 3p6 10f 44 J ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 45 K EAV 334296.2 0.0 332463.2 FIXEDHF 1.000 0 1833.0 0 3p6 11f 46 K ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 47 L EAV 336647.9 0.0 334814.9 FIXEDHF 1.000 0 1833.0 0 3p6 12f 48 L ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 M EAV 338478.3 0.0 336645.3 FIXEDHF 1.000 0 1833.0 0 3p6 13f 50 M ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 N EAV 339925.5 0.0 338092.5 FIXEDHF 1.000 0 1833.0 0 3p6 14f 52 N ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 O EAV 300158.7 321.0 298333.9 1.000 0 0.0 0 3p6 6h 54 O ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 55 P EAV 313110.7 321.0 311272.8 1.000 0 0.0 0 3p6 7h 56 P ZETA 7 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 57 Q EAV 321517.4 321.0 319675.9 1.000 0 0.0 0 3p6 8h 58 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 R EAV 327280.9 321.0 325438.1 1.000 0 0.0 0 3p6 9h 60 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 S EAV 321535.0 321.0 319696.6 1.000 0 0.0 0 3p6 8k 62 S ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 T EAV 327293.0 321.0 325454.4 1.000 0 0.0 0 3p6 9k 64 T ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 U EAV 297926.3 138.0 300971.6 1.000 0 0.0 0 3p5 3d2 66 U F2(22) 60654.5 0.0 78110.8 FIXED 0.800 0 0.0 0 67 U F4(22) 38091.0 0.0 49072.9 LINEAR 0.628 66 0.0 0 68 U ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 69 U BETA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 70 U t(d 2) 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 71 U ZETA 1 3577.5 0.0 3577.5 FIXEDHF 1.000 0 0.0 0 72 U ZETA 2 168.0 0.0 168.0 FIXEDHF 1.000 0 0.0 0 73 U F2(12) 73495.3 658.0 84079.0 0.800 0 0.0 0 74 U G1(12) 81998.1 969.0 104477.8 0.800 0 0.0 0 75 U G3(12) 50018.8 0.0 63730.3 LINEAR 0.610 74 0.0 0 76 V EAV 380581.0 165.0 380457.7 1.000 0 0.0 0 3p5 3d4s 77 V ZETA 1 3747.4 0.0 3747.4 FIXEDHF 1.000 0 0.0 0 78 V ZETA 2 192.2 0.0 192.2 FIXEDHF 1.000 0 0.0 0 79 V F2(12) 74534.6 1086.0 88938.8 0.800 0 0.0 0 80 V G1(12) 93365.6 1897.0 109851.9 0.800 0 0.0 0 81 V G3(12) 57513.2 0.0 67629.0 LINEAR 0.616 80 0.0 0 82 V G1(13) 6706.9 0.0 8383.6 FIXEDHF 0.800 0 0.0 0 83 V G2(23) 8969.8 0.0 11212.2 FIXEDHF 0.800 0 0.0 0 84 W EAV 501376.4 0.0 501376.4 FIXEDHF 1.000 0 0.0 0 3p5 4s2 85 W ZETA 1 3950.1 0.0 3950.1 FIXEDHF 1.000 0 0.0 0 86 1C 0D1114 2715.9 0.0 3394.9 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 4p2 87 1C 2D1114 12418.1 0.0 15522.6 FIXEDHF 0.800 0 0.0 0 88 1C 0D1444 125.7 0.0 157.1 FIXEDHF 0.800 0 0.0 0 89 1C 2D1444 -3829.0 0.0 -4786.2 FIXEDHF 0.800 0 0.0 0 90 1U 1D1422 4948.7 0.0 6185.9 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 3d2 91 1U 3D1422 6000.3 0.0 7500.4 FIXEDHF 0.800 0 0.0 0 92 1V 1D1423 32069.7 0.0 40087.1 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 3d4s 93 1V 1E1423 6364.7 0.0 7955.9 FIXEDHF 0.800 0 0.0 0 94 1W 1D1433 -6256.1 0.0 -7820.1 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 4s2 95 2C 0D1544 1574.9 0.0 1968.6 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 4p2 96 2C 2D1544 -752.8 0.0 -941.0 FIXEDHF 0.800 0 0.0 0 97 2U 1D1522 2688.6 0.0 3360.8 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 3d2 98 2U 3D1522 2893.0 0.0 3616.2 FIXEDHF 0.800 0 0.0 0 99 2V 1D1523 13499.2 0.0 16874.0 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 3d4s 100 2V 1E1523 3572.2 0.0 4465.2 FIXEDHF 0.800 0 0.0 0 101 2W 1D1533 -1619.1 0.0 -2023.9 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 4s2 102 3C 0D1544 1089.8 0.0 1362.2 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 4p2 103 3C 2D1544 -237.5 0.0 -296.9 FIXEDHF 0.800 0 0.0 0 104 3U 1D1522 1745.1 0.0 2181.4 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 3d2 105 3U 3D1522 1801.2 0.0 2251.5 FIXEDHF 0.800 0 0.0 0 106 3V 1D1523 8299.1 0.0 10373.9 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 3d4s 107 3V 1E1523 2390.2 0.0 2987.7 FIXEDHF 0.800 0 0.0 0 108 3W 1D1533 -735.4 0.0 -919.2 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 4s2 109 4C 0D1544 811.8 0.0 1014.8 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 4p2 110 4C 2D1544 -84.1 0.0 -105.1 FIXEDHF 0.800 0 0.0 0 111 4U 1D1522 1256.3 0.0 1570.4 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 3d2 112 4U 3D1522 1269.6 0.0 1587.0 FIXEDHF 0.800 0 0.0 0 113 4V 1D1523 5853.4 0.0 7316.8 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 3d4s 114 4V 1E1523 1753.8 0.0 2192.2 FIXEDHF 0.800 0 0.0 0 115 4W 1D1533 -423.4 0.0 -529.2 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 4s2 116 5C 0D1544 635.7 0.0 794.6 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 4p2 117 5C 2D1544 -26.3 0.0 -32.9 FIXEDHF 0.800 0 0.0 0 118 5U 1D1522 963.6 0.0 1204.5 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 3d2 119 5U 3D1522 961.8 0.0 1202.2 FIXEDHF 0.800 0 0.0 0 120 5V 1D1523 4445.4 0.0 5556.7 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 3d4s 121 5V 1E1523 1361.6 0.0 1702.0 FIXEDHF 0.800 0 0.0 0 122 5W 1D1533 -278.8 0.0 -348.5 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 4s2 123 6C 0D1544 515.5 0.0 644.4 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 4p2 124 6C 2D1544 -1.8 0.0 -2.2 FIXEDHF 0.800 0 0.0 0 125 6U 1D1522 771.2 0.0 964.0 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 3d2 126 6U 3D1522 763.6 0.0 954.5 FIXEDHF 0.800 0 0.0 0 127 6V 1D1523 3537.6 0.0 4422.0 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 3d4s 128 6V 1E1523 1098.6 0.0 1373.3 FIXEDHF 0.800 0 0.0 0 129 6W 1D1533 -200.0 0.0 -250.0 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 4s2 130 7C 0D1544 429.2 0.0 536.5 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 4p2 131 7C 2D1544 9.4 0.0 11.7 FIXEDHF 0.800 0 0.0 0 132 7U 1D1522 636.2 0.0 795.3 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 3d2 133 7U 3D1522 626.6 0.0 783.2 FIXEDHF 0.800 0 0.0 0 134 7V 1D1523 2908.2 0.0 3635.3 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 3d4s 135 7V 1E1523 911.5 0.0 1139.4 FIXEDHF 0.800 0 0.0 0 136 7W 1D1533 -152.2 0.0 -190.3 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 4s2 137 8C 0D1544 364.7 0.0 455.9 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 4p2 138 8C 2D1544 14.4 0.0 18.0 FIXEDHF 0.800 0 0.0 0 139 8U 1D1522 537.0 0.0 671.3 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 3d2 140 8U 3D1522 526.8 0.0 658.5 FIXEDHF 0.800 0 0.0 0 141 8V 1D1523 2449.0 0.0 3061.3 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 3d4s 142 8V 1E1523 772.6 0.0 965.8 FIXEDHF 0.800 0 0.0 0 143 8W 1D1533 -120.8 0.0 -151.0 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 4s2 144 9C 0D1544 315.0 0.0 393.7 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 4p2 145 9C 2D1544 16.5 0.0 20.6 FIXEDHF 0.800 0 0.0 0 146 9U 1D1522 461.6 0.0 577.0 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 3d2 147 9U 3D1522 451.4 0.0 564.3 FIXEDHF 0.800 0 0.0 0 148 9V 1D1523 2101.0 0.0 2626.3 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 3d4s 149 9V 1E1523 666.0 0.0 832.5 FIXEDHF 0.800 0 0.0 0 150 9W 1D1533 -99.0 0.0 -123.7 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 4s2 151 AC 0D1544 275.6 0.0 344.5 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 4p2 152 AC 2D1544 17.1 0.0 21.4 FIXEDHF 0.800 0 0.0 0 153 AU 1D1522 402.4 0.0 503.0 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 3d2 154 AU 3D1522 392.7 0.0 490.9 FIXEDHF 0.800 0 0.0 0 155 AV 1D1523 1829.4 0.0 2286.7 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 3d4s 156 AV 1E1523 582.0 0.0 727.5 FIXEDHF 0.800 0 0.0 0 157 AW 1D1533 -83.0 0.0 -103.8 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 4s2 158 BC 0D1544 243.8 0.0 304.8 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 4p2 159 BC 2D1544 17.0 0.0 21.2 FIXEDHF 0.800 0 0.0 0 160 BU 1D1522 355.0 0.0 443.8 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 3d2 161 BU 3D1522 345.8 0.0 432.3 FIXEDHF 0.800 0 0.0 0 162 BV 1D1523 1612.3 0.0 2015.4 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 3d4s 163 BV 1E1523 514.4 0.0 643.0 FIXEDHF 0.800 0 0.0 0 164 BW 1D1533 -71.1 0.0 -88.9 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 4s2 165 CD 2D4416 -3791.8 0.0 -4739.8 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 4f 166 CE 2D4416 -2570.2 0.0 -3212.8 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 5f 167 CF 2D4416 -1827.7 0.0 -2284.6 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 6f 168 CG 2D4416 -1375.9 0.0 -1719.9 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 7f 169 CH 2D4416 -1083.0 0.0 -1353.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 8f 170 CI 2D4416 -881.4 0.0 -1101.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 9f 171 CJ 2D4416 -735.9 0.0 -919.9 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 10f 172 CK 2D4416 -627.0 0.0 -783.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 11f 173 CL 2D4416 -542.8 0.0 -678.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 12f 174 CM 2D4416 -476.2 0.0 -595.2 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 13f 175 CN 2D4416 -422.2 0.0 -527.8 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 14f 176 CU 1D4422 9153.1 0.0 11441.4 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 3d2 177 CU 3D4422 8336.7 0.0 10420.9 FIXEDHF 0.800 0 0.0 0 178 CV 1D4423 -9670.1 0.0 -12087.6 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 3d4s 179 CW 1D4433 40929.4 0.0 51161.8 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 4s2 180 DU 1D1622 -14159.4 0.0 -17699.3 FIXEDHF 0.800 0 0.0 0 3p6 4f -3p5 3d2 181 DU 3D1622 -6951.2 0.0 -8689.0 FIXEDHF 0.800 0 0.0 0 182 DV 3D1623 4570.7 0.0 5713.4 FIXEDHF 0.800 0 0.0 0 3p6 4f -3p5 3d4s 183 DV 1E1623 1148.1 0.0 1435.1 FIXEDHF 0.800 0 0.0 0 184 EU 1D1622 -12156.0 0.0 -15195.0 FIXEDHF 0.800 0 0.0 0 3p6 5f -3p5 3d2 185 EU 3D1622 -6219.8 0.0 -7774.8 FIXEDHF 0.800 0 0.0 0 186 EV 3D1623 3432.2 0.0 4290.3 FIXEDHF 0.800 0 0.0 0 3p6 5f -3p5 3d4s 187 EV 1E1623 805.3 0.0 1006.6 FIXEDHF 0.800 0 0.0 0 188 FU 1D1622 -9834.4 0.0 -12293.0 FIXEDHF 0.800 0 0.0 0 3p6 6f -3p5 3d2 189 FU 3D1622 -5133.0 0.0 -6416.3 FIXEDHF 0.800 0 0.0 0 190 FV 3D1623 2566.7 0.0 3208.4 FIXEDHF 0.800 0 0.0 0 3p6 6f -3p5 3d4s 191 FV 1E1623 570.7 0.0 713.4 FIXEDHF 0.800 0 0.0 0 192 GU 1D1622 -8007.4 0.0 -10009.3 FIXEDHF 0.800 0 0.0 0 3p6 7f -3p5 3d2 193 GU 3D1622 -4226.7 0.0 -5283.4 FIXEDHF 0.800 0 0.0 0 194 GV 3D1623 1988.4 0.0 2485.5 FIXEDHF 0.800 0 0.0 0 3p6 7f -3p5 3d4s 195 GV 1E1623 425.0 0.0 531.2 FIXEDHF 0.800 0 0.0 0 196 HU 1D1622 -6633.2 0.0 -8291.5 FIXEDHF 0.800 0 0.0 0 3p6 8f -3p5 3d2 197 HU 3D1622 -3526.0 0.0 -4407.5 FIXEDHF 0.800 0 0.0 0 198 HV 3D1623 1593.1 0.0 1991.4 FIXEDHF 0.800 0 0.0 0 3p6 8f -3p5 3d4s 199 HV 1E1623 330.8 0.0 413.5 FIXEDHF 0.800 0 0.0 0 200 IU 1D1622 -5592.4 0.0 -6990.5 FIXEDHF 0.800 0 0.0 0 3p6 9f -3p5 3d2 201 IU 3D1622 -2986.7 0.0 -3733.4 FIXEDHF 0.800 0 0.0 0 202 IV 3D1623 1312.1 0.0 1640.1 FIXEDHF 0.800 0 0.0 0 3p6 9f -3p5 3d4s 203 IV 1E1623 266.6 0.0 333.3 FIXEDHF 0.800 0 0.0 0 204 JU 1D1622 -4789.6 0.0 -5987.0 FIXEDHF 0.800 0 0.0 0 3p6 10f -3p5 3d2 205 JU 3D1622 -2566.4 0.0 -3208.0 FIXEDHF 0.800 0 0.0 0 206 JV 3D1623 1104.8 0.0 1381.0 FIXEDHF 0.800 0 0.0 0 3p6 10f -3p5 3d4s 207 JV 1E1623 220.8 0.0 276.0 FIXEDHF 0.800 0 0.0 0 208 KU 1D1622 -4158.0 0.0 -5197.5 FIXEDHF 0.800 0 0.0 0 3p6 11f -3p5 3d2 209 KU 3D1622 -2233.4 0.0 -2791.7 FIXEDHF 0.800 0 0.0 0 210 KV 3D1623 947.0 0.0 1183.8 FIXEDHF 0.800 0 0.0 0 3p6 11f -3p5 3d4s 211 KV 1E1623 186.9 0.0 233.6 FIXEDHF 0.800 0 0.0 0 212 LU 1D1622 -3651.9 0.0 -4564.9 FIXEDHF 0.800 0 0.0 0 3p6 12f -3p5 3d2 213 LU 3D1622 -1965.1 0.0 -2456.4 FIXEDHF 0.800 0 0.0 0 214 LV 3D1623 823.7 0.0 1029.6 FIXEDHF 0.800 0 0.0 0 3p6 12f -3p5 3d4s 215 LV 1E1623 161.0 0.0 201.2 FIXEDHF 0.800 0 0.0 0 216 MU 1D1622 -3239.5 0.0 -4049.4 FIXEDHF 0.800 0 0.0 0 3p6 13f -3p5 3d2 217 MU 3D1622 -1745.7 0.0 -2182.1 FIXEDHF 0.800 0 0.0 0 218 MV 3D1623 725.1 0.0 906.4 FIXEDHF 0.800 0 0.0 0 3p6 13f -3p5 3d4s 219 MV 1E1623 140.6 0.0 175.7 FIXEDHF 0.800 0 0.0 0 220 NU 1D1622 -2898.7 0.0 -3623.4 FIXEDHF 0.800 0 0.0 0 3p6 14f -3p5 3d2 221 NU 3D1622 -1563.8 0.0 -1954.7 FIXEDHF 0.800 0 0.0 0 222 NV 3D1623 644.8 0.0 806.0 FIXEDHF 0.800 0 0.0 0 3p6 14f -3p5 3d4s 223 NV 1E1623 124.2 0.0 155.3 FIXEDHF 0.800 0 0.0 0 224 OU 3D1722 -85.4 0.0 -106.8 FIXEDHF 0.800 0 0.0 0 3p6 6h -3p5 3d2 225 PU 3D1722 -98.1 0.0 -122.6 FIXEDHF 0.800 0 0.0 0 3p6 7h -3p5 3d2 226 QU 3D1722 -96.6 0.0 -120.7 FIXEDHF 0.800 0 0.0 0 3p6 8h -3p5 3d2 227 RU 3D1722 -90.5 0.0 -113.1 FIXEDHF 0.800 0 0.0 0 3p6 9h -3p5 3d2 228 UV 2D1213 3085.4 0.0 3856.7 FIXEDHF 0.800 0 0.0 0 3p5 3d2 -3p5 3d4s 229 UV 1E1213 6814.2 0.0 8517.8 FIXEDHF 0.800 0 0.0 0 230 UV 2D2223 495.9 0.0 619.9 FIXEDHF 0.800 0 0.0 0 231 UW 2D2233 11595.7 0.0 14494.6 FIXEDHF 0.800 0 0.0 0 3p5 3d2 -3p5 4s2 232 VW 2D1213 4232.5 0.0 5290.6 FIXEDHF 0.800 0 0.0 0 3p5 3d4s -3p5 4s2 233 VW 1E1213 7237.0 0.0 9046.2 FIXEDHF 0.800 0 0.0 0 22.03 J 0.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 127921.36 127921.516 0.2 0.666 4p 2P 0.997 1(2P)2P 1 -0.055 V(1P)2P 27 0.033 C(3P)2P 14 2 230608.89 230609.057 0.2 0.666 5p 2P -0.999 2(1S)2P 2 0.031 V(1P)2P 27 3 257779.360 -0.001 d2(3F) 4D -0.879 U(3F)4D 18 -0.476 U(3P)4D 19 4 273784.313 2.661 d2(3P) 4P 0.997 U(3P)4P 20 -0.054 U(3P)2S 24 -0.031 U(1D)2P 22 5 274726.29 274726.328 0.0 0.667 6p 2P -0.998 3(1S)2P 3 0.042 U(1D)2P 22 6 286416.364 0.668 d2(1D) 2P 0.808 U(1D)2P 22 -0.482 U(3P)2P 21 0.324 U(1S)2P 23 7 298026. 298026.058 0.1 0.666 7p 2P -0.999 4(1S)2P 4 8 302922.673 0.001 d2(3P) 4D -0.879 U(3P)4D 19 0.474 U(3F)4D 18 0.050 U(1D)2P 22 9 311809. 311809.035 0.0 0.666 8p 2P 1.000 5(1S)2P 5 10 316741.989 2.003 d2(3P) 2S 0.998 U(3P)2S 24 0.054 U(3P)4P 20 11 320662. 320661.986 0.0 0.666 9p 2P -1.000 6(1S)2P 6 12 326694. 326689.487 -4.5 0.666 10p 2P 1.000 7(1S)2P 7 13 330981. R 330970.174 -10.8 0.666 11p 2P 0.998 8(1S)2P 8 -0.055 U(1S)2P 23 14 332500.824 0.666 d2(1S) 2P 0.887 U(1S)2P 23 -0.433 U(1D)2P 22 -0.132 U(3P)2P 21 15 334140. R 334135.750 -4.3 0.666 12p 2P -0.999 9(1S)2P 9 -0.043 U(1S)2P 23 16 336534. R 336529.333 -4.7 0.666 13p 2P 1.000 A(1S)2P 10 17 338392. R 338387.302 -4.7 0.666 14p 2P -1.000 B(1S)2P 11 18 353106.398 2.655 3d3P4s 4P -0.996 V(3P)4P 26 0.082 V(3P)2P 28 19 358210. 358604.869 394.9 0.677 3d3P4s 2P -0.973 V(3P)2P 28 -0.177 U(3P)2P 21 -0.081 V(3P)4P 26 20 383380. 382778.563 -601.4 0.661 d2(3P) 2P -0.843 U(3P)2P 21 -0.379 U(1D)2P 22 -0.309 U(1S)2P 23 J 0.5 21 385559.815 0.007 3d3D4s 4D 0.994 V(3D)4D 25 0.067 V(3P)2P 28 -0.064 U(3P)2P 21 22 472720. 482383.084 0.666 3d1P4s 2P -0.977 V(1P)2P 27 0.194 W(2P)2P 29 -0.055 1(2P)2P 1 23 501521.669 0.666 -0.961 W(2P)2P 29 -0.197 V(1P)2P 27 -0.192 C(1S)2P 16 24 591983.546 2.270 -0.888 C(3P)4P 13 0.263 C(1D)2P 15 -0.257 C(3P)2P 14 25 594594.838 0.964 -0.672 C(1D)2P 15 0.573 C(3P)2P 14 -0.388 C(3P)4P 13 26 598938.389 0.074 0.958 C(3P)4D 12 -0.241 C(1D)2P 15 0.114 C(3P)2P 14 27 603466.316 2.028 0.971 C(3P)2S 17 0.228 C(3P)4P 13 0.055 C(1D)2P 15 28 620053.315 0.667 0.717 C(3P)2P 14 0.643 C(1D)2P 15 -0.244 C(1S)2P 16 29 626482.434 0.666 0.940 C(1S)2P 16 0.278 C(3P)2P 14 -0.184 W(2P)2P 29 29 VECTORS WRITTEN TO UNIT 3 22.03 J 1.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 128739.59 128739.668 0.1 1.334 4p 2P 0.997 1(2P)2P 1 -0.055 V(1P)2P 36 0.033 C(3P)2P 17 2 230924.38 230924.474 0.1 1.334 5p 2P -0.999 2(1S)2P 2 0.031 V(1P)2P 36 3 258038.821 1.200 d2(3F) 4D 0.870 U(3F)4D 21 0.488 U(3P)4D 22 -0.044 U(3F)4F 20 4 272920.173 1.732 d2(3P) 4P 0.995 U(3P)4P 23 0.055 U(3F)4D 21 -0.043 U(3P)4S 24 5 274881.21 274881.230 0.0 1.334 6p 2P -0.998 3(1S)2P 3 0.041 U(1D)2P 29 6 280613. 280660.372 47.4 0.593 d2(3F) 4F 0.750 U(3F)4F 20 0.556 U(1D)2D 27 -0.301 U(3F)2D 25 7 283041.629 0.686 d2(1D) 2D 0.653 U(3F)4F 20 -0.616 U(1D)2D 27 0.293 U(3F)2D 25 8 288246.895 1.259 d2(1D) 2P 0.718 U(1D)2P 29 -0.456 U(3P)2P 28 0.359 U(1S)2P 30 9 298124. 298124.049 0.0 1.334 7p 2P 0.999 4(1S)2P 4 0.031 U(1D)2P 29 10 302266.952 1.192 d2(3P) 4D -0.860 U(3P)4D 22 0.485 U(3F)4D 21 -0.143 U(3P)2D 26 11 311753.439 0.810 d2(3P) 2D -0.935 U(3P)2D 26 0.258 U(3F)2D 25 0.184 U(1D)2D 27 12 311860. 311860.042 0.0 1.333 8p 2P -0.998 5(1S)2P 5 -0.047 U(3P)2D 26 13 316714.379 2.001 d2(3P) 4S -0.998 U(3P)4S 24 -0.046 U(3P)4P 23 -0.031 U(1D)2P 29 14 320697. 320696.951 0.0 1.334 9p 2P -1.000 6(1S)2P 6 15 326707. 326711.431 4.4 1.334 10p 2P 0.998 7(1S)2P 7 -0.047 U(1S)2P 30 16 328824.943 1.334 d2(1S) 2P -0.876 U(1S)2P 30 0.469 U(1D)2P 29 0.070 U(3P)2P 28 17 330988. R 330998.829 10.8 1.334 11p 2P -0.999 8(1S)2P 8 -0.038 U(1S)2P 30 18 334143. R 334147.171 4.2 1.334 12p 2P 1.000 9(1S)2P 9 19 336535. R 336539.679 4.7 1.334 13p 2P -1.000 A(1S)2P 10 20 338391. R 338395.725 4.7 1.334 14p 2P 1.000 B(1S)2P 11 J 1.5 21 354050.293 1.728 3d3P4s 4P -0.992 V(3P)4P 33 0.110 V(3P)2P 37 0.052 V(3D)4D 32 22 360110. 360567.654 457.7 1.335 3d3P4s 2P -0.965 V(3P)2P 37 -0.186 U(3P)2P 28 -0.109 V(3P)4P 33 23 367928. 367567.864 -360.1 0.407 3d3F4s 4F -0.992 V(3F)4F 31 0.095 V(1D)2D 34 0.066 V(3D)4D 32 24 384393. 383735.691 -657.3 1.282 d2(3P) 2P -0.799 U(3P)2P 28 -0.370 U(1D)2P 29 -0.263 U(1S)2P 30 25 384087.956 0.880 d2(3F) 2D -0.631 V(1D)2D 34 0.445 U(3F)2D 25 -0.371 V(3D)2D 35 26 385552. 385543.050 -8.9 1.151 3d3D4s 4D 0.930 V(3D)4D 32 -0.222 V(3D)2D 35 0.221 U(3F)2D 25 27 388716.343 0.819 3d1D4s 2D 0.727 V(1D)2D 34 -0.564 V(3D)2D 35 0.282 U(3F)2D 25 28 395914. 396757.391 843.4 0.800 3d3D4s 2D 0.671 V(3D)2D 35 0.609 U(3F)2D 25 0.294 U(1D)2D 27 29 472290. 482067.809 1.334 3d1P4s 2P -0.957 V(1P)2P 36 0.272 W(2P)2P 38 -0.054 1(2P)2P 1 30 495912.299 1.334 -0.942 W(2P)2P 38 -0.276 V(1P)2P 36 -0.189 C(1S)2P 19 31 590961.970 1.680 0.918 C(3P)4P 13 -0.244 C(3P)4D 12 0.196 C(3P)2P 17 32 595445.571 1.371 0.616 C(1D)2P 18 -0.562 C(3P)2P 17 0.304 C(3P)4D 12 33 595946.380 1.011 0.709 C(3P)2D 15 0.605 C(3P)4D 12 -0.259 C(1D)2P 18 34 600447.970 1.032 -0.691 C(3P)4D 12 0.678 C(3P)2D 15 0.159 C(1D)2P 18 35 603663.548 1.953 -0.951 C(3P)4S 14 -0.225 C(3P)4P 13 -0.164 C(1D)2P 18 36 609871.693 0.835 -0.964 C(1D)2D 16 0.206 C(3P)2P 17 0.106 C(3P)2D 15 37 619545.071 1.326 0.840 C(1S)2P 19 -0.448 C(1D)2P 18 -0.216 C(3P)2P 17 38 624103.243 1.332 0.705 C(3P)2P 17 0.520 C(1D)2P 18 0.457 C(1S)2P 19 38 VECTORS WRITTEN TO UNIT 3 22.03 J 2.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 236135.29 236130.180 -5.1 0.857 4f 2F -0.995 D(1S)2F 6 0.081 U(1G)2F 23 0.044 U(1D)2F 24 2 258482.535 1.371 d2(3F) 4D -0.856 U(3F)4D 19 -0.509 U(3P)4D 20 0.064 U(3F)4F 18 3 271611.413 1.600 d2(3P) 4P 0.997 U(3P)4P 21 0.064 U(3F)4D 19 0.032 U(3P)2D 26 4 274839.82 274427.719 -412.1 0.610 d2(3F) 4G -0.938 U(3F)4G 17 0.182 E(1S)2F 7 0.171 U(3F)4F 18 5 275847.01 275761.288 -85.7 0.840 5f 2F 0.919 E(1S)2F 7 -0.246 U(1G)2F 23 0.245 U(3F)4G 17 6 280713. 280628.839 -84.2 1.131 d2(3F) 4F 0.722 U(1D)2D 27 0.549 U(3F)4F 18 -0.371 U(3F)2D 25 7 282374. 282401.779 27.8 1.045 d2(1D) 2D 0.724 U(3F)4F 18 -0.499 U(1D)2D 27 -0.254 U(1G)2F 23 8 281810. 282613.313 803.3 0.885 d2(1G) 2F -0.621 U(1G)2F 23 0.578 U(3F)2F 22 -0.371 U(3F)4F 18 9 296264. 296602.943 338.9 0.861 d2(1D) 2F 0.767 U(1D)2F 24 -0.581 F(1S)2F 8 0.188 U(3F)2F 22 10 300001. 299991.219 -9.8 0.859 6f 2F -0.802 F(1S)2F 8 -0.587 U(1D)2F 24 0.051 U(1G)2F 23 11 301479.684 1.367 d2(3P) 4D -0.845 U(3P)4D 20 0.509 U(3F)4D 19 -0.146 U(3P)2D 26 12 312284. 312278.954 -5.0 0.860 7f 2F 0.985 G(1S)2F 9 0.097 U(1D)2F 24 -0.091 U(3F)2F 22 13 313214.594 1.202 d2(3P) 2D -0.928 U(3P)2D 26 0.269 U(3F)2D 25 0.181 U(1D)2D 27 14 320829. 320828.114 -0.9 0.857 8f 2F -0.991 H(1S)2F 10 0.087 U(3F)2F 22 -0.054 U(1D)2F 24 15 326738.201 0.857 9f 2F 0.990 I(1S)2F 11 -0.082 U(3F)2F 22 -0.055 H(1S)2F 10 16 330969.895 0.857 10f 2F 0.989 J(1S)2F 12 -0.077 U(3F)2F 22 -0.066 I(1S)2F 11 17 334105.400 0.857 11f 2F -0.989 K(1S)2F 13 0.075 J(1S)2F 12 0.072 U(3F)2F 22 18 336489.873 0.857 12f 2F 0.988 L(1S)2F 14 -0.081 K(1S)2F 13 0.070 M(1S)2F 15 19 338349.169 0.857 13f 2F -0.989 M(1S)2F 15 0.085 L(1S)2F 14 -0.072 N(1S)2F 16 20 339823.731 0.857 14f 2F 0.992 N(1S)2F 16 -0.084 M(1S)2F 15 -0.052 U(3F)2F 22 J 2.5 21 355801.174 1.599 3d3P4s 4P -0.996 V(3P)4P 30 0.067 V(3D)4D 29 -0.052 V(1D)2D 33 22 352630. 357508.257 0.857 d2(3F) 2F -0.678 U(3F)2F 22 -0.628 U(1G)2F 23 -0.222 V(3F)2F 32 23 367249. 366503.927 -745.1 1.028 3d3F4s 4F -0.985 V(3F)4F 28 -0.095 V(3F)2F 32 0.082 V(3D)4D 29 24 373680. 373641.964 -38.0 0.868 3d3F4s 2F 0.957 V(3F)2F 32 -0.161 U(3F)2F 22 -0.147 U(1G)2F 23 25 383903.898 1.236 d2(3F) 2D 0.544 V(3D)4D 29 0.488 V(1D)2D 33 -0.433 U(3F)2D 25 26 385252. 385471.425 219.4 1.312 3d3D4s 4D 0.805 V(3D)4D 29 0.370 U(3F)2D 25 -0.332 V(3D)2D 34 27 387702. 387085.718 -616.3 1.152 3d1D4s 2D 0.759 V(1D)2D 33 -0.503 V(3D)2D 34 -0.360 V(1F)2F 31 28 389360. 389644.835 284.8 0.926 3d1F4s 2F -0.895 V(1F)2F 31 -0.241 V(1D)2D 33 -0.195 U(3F)2D 25 29 395869. 396675.320 806.3 1.196 3d3D4s 2D 0.655 V(3D)2D 34 0.591 U(3F)2D 25 0.285 U(1D)2D 27 30 590293.581 1.585 0.966 C(3P)4P 2 -0.246 C(3P)4D 1 0.075 C(3P)2D 4 31 595259.746 1.337 0.849 C(3P)4D 1 0.497 C(3P)2D 4 0.178 C(3P)4P 2 32 601987.602 1.251 0.851 C(3P)2D 4 -0.464 C(3P)4D 1 -0.181 C(3P)4P 2 33 604023.565 0.952 -0.850 C(1D)2F 3 0.520 C(1D)2D 5 -0.068 C(3P)2D 4 34 609650.133 1.107 0.837 C(1D)2D 5 0.525 C(1D)2F 3 -0.136 C(3P)2D 4 34 VECTORS WRITTEN TO UNIT 3 22.03 J 3.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 236142.30 236144.318 2.0 1.143 4f 2F -0.995 D(1S)2F 3 0.077 U(1G)2F 21 0.047 U(1D)2F 22 2 259148.260 1.428 d2(3F) 4D -0.838 U(3F)4D 16 -0.539 U(3P)4D 17 0.068 U(3F)4F 15 3 274850. 273527.376 -1322.6 0.995 d2(3F) 4G -0.972 U(3F)4G 14 0.190 U(3F)4F 15 -0.077 U(3F)2G 18 4 275861.94 275809.951 -52.0 1.142 5f 2F -0.950 E(1S)2F 4 0.230 U(1G)2F 21 0.162 U(1D)2F 22 5 281387. 281641.109 254.1 1.223 d2(3F) 4F -0.956 U(3F)4F 15 -0.194 U(3F)4G 14 -0.118 U(3F)2F 20 6 283057. 283886.727 829.7 1.146 d2(1G) 2F -0.656 U(1G)2F 21 0.623 U(3F)2F 20 -0.269 E(1S)2F 4 7 292994. 293067.337 73.3 1.081 d2(1D) 2F 0.802 U(1D)2F 22 0.478 U(3F)2G 18 -0.222 F(1S)2F 5 8 294083.585 0.957 d2(3F) 2G 0.828 U(3F)2G 18 -0.443 U(1D)2F 22 0.208 U(1G)2G 19 9 299374. 299238.398 -135.6 1.143 6f 2F -0.956 F(1S)2F 5 -0.278 U(1D)2F 22 0.084 U(3F)2F 20 10 300769.630 1.427 d2(3P) 4D 0.834 U(3P)4D 17 -0.544 U(3F)4D 16 -0.052 U(3F)4F 15 11 312262. 312262.340 0.3 1.143 7f 2F 0.991 G(1S)2F 6 -0.091 U(3F)2F 20 0.078 U(1D)2F 22 12 317565.020 0.891 d2(1G) 2G 0.963 U(1G)2G 19 -0.254 U(3F)2G 18 -0.070 U(3F)2F 20 13 320837. 320836.255 -0.7 1.143 8f 2F -0.991 H(1S)2F 7 0.081 U(3F)2F 20 0.051 U(1G)2F 21 14 326749.431 1.143 9f 2F -0.991 I(1S)2F 8 0.077 U(3F)2F 20 0.053 U(1G)2F 21 15 330982.157 1.143 10f 2F 0.991 J(1S)2F 9 -0.072 U(3F)2F 20 -0.063 I(1S)2F 8 16 334117.279 1.143 11f 2F 0.990 K(1S)2F 10 -0.070 J(1S)2F 9 -0.066 U(3F)2F 20 17 336500.306 1.143 12f 2F -0.990 L(1S)2F 11 0.076 K(1S)2F 10 -0.066 M(1S)2F 12 18 338358.106 1.143 13f 2F 0.991 M(1S)2F 12 -0.078 L(1S)2F 11 0.068 N(1S)2F 13 19 339830.761 1.143 14f 2F 0.994 N(1S)2F 13 -0.078 M(1S)2F 12 -0.048 U(3F)2F 20 20 352250. 359148.814 1.143 d2(3F) 2F 0.659 U(3F)2F 20 0.631 U(1G)2F 21 0.282 V(3F)2F 26 J 3.5 21 365281.641 1.238 3d3F4s 4F -0.987 V(3F)4F 23 -0.086 V(3F)2F 26 0.074 V(3D)4D 24 22 371330. 371262.006 -68.0 1.145 3d3F4s 2F 0.948 V(3F)2F 26 -0.190 U(3F)2F 20 -0.178 U(1G)2F 21 23 383978.301 1.403 3d3D4s 4D -0.951 V(3D)4D 24 -0.301 V(1F)2F 25 -0.051 V(3F)4F 23 24 390110. 389937.139 -172.9 1.169 3d1F4s 2F -0.938 V(1F)2F 25 0.292 V(3D)4D 24 -0.116 V(3F)2F 26 25 594509.563 1.428 0.997 C(3P)4D 1 -0.075 C(1D)2F 2 26 600986.824 1.145 0.997 C(1D)2F 2 0.075 C(3P)4D 1 26 VECTORS WRITTEN TO UNIT 3 22.03 J 4.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 272514.858 1.176 d2(3F) 4G -0.984 U(3F)4G 5 0.160 U(3F)4F 6 -0.077 U(3F)2G 8 2 281233.378 1.326 d2(3F) 4F 0.979 U(3F)4F 6 0.148 U(3F)4G 5 0.137 U(3F)2G 8 3 293444.056 0.924 d2(1G) 2H 0.962 U(1G)2H 7 -0.213 U(3F)2G 8 -0.163 U(1G)2G 9 4 295596.452 1.102 d2(3F) 2G -0.923 U(3F)2G 8 -0.253 U(1G)2H 7 -0.249 U(1G)2G 9 5 300158.76 300158.444 -0.3 0.909 6h 2H 1.000 O(1S)2H 1 6 313110.72 313110.418 -0.3 0.909 7h 2H 1.000 P(1S)2H 2 7 317139.744 1.109 d2(1G) 2G 0.954 U(1G)2G 9 -0.281 U(3F)2G 8 0.099 U(1G)2H 7 8 321517.39 P 321517.414 0.0 0.909 8h 2H -1.000 Q(1S)2H 3 9 327280.92 R 327280.910 0.0 0.909 9h 2H 1.000 R(1S)2H 4 10 363940.053 1.334 3d3F4s 4F 1.000 V(3F)4F 10 10 VECTORS WRITTEN TO UNIT 3 22.03 J 5.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 271522.376 1.273 d2(3F) 4G 1.000 U(3F)4G 5 2 289878.820 1.091 d2(1G) 2H 1.000 U(1G)2H 6 3 300158.76 300158.978 0.2 1.091 6h 2H 1.000 O(1S)2H 1 4 313110.72 313110.966 0.2 1.091 7h 2H -1.000 P(1S)2H 2 5 321517.39 P 321517.412 0.0 1.091 8h 2H -1.000 Q(1S)2H 3 6 327280.92 R 327280.909 0.0 1.091 9h 2H 1.000 R(1S)2H 4 6 VECTORS WRITTEN TO UNIT 3 22.03 J 6.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 321535. 321535.000 0.0 0.933 8k 2K 1.000 S(1S)2K 1 2 327293. 327293.000 0.0 0.933 9k 2K 1.000 T(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 22.03 J 7.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 8k T 3p6 9k U 3p5 3d2 V 3p5 3d4s W 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 321535. 321535.000 0.0 1.067 8k 2K 1.000 S(1S)2K 1 2 327293. 327293.000 0.0 1.067 9k 2K 1.000 T(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 19-FEB-2013 13:06:09.00 Accounting information: Buffered I/O count: 154 Peak working set size: 9424 Direct I/O count: 250 Peak virtual size: 322592 Page faults: 2068 Mounted volumes: 0 Charged CPU time: 0 00:00:00.22 Elapsed time: 0 00:00:02.44