$ Set NoOn $ VERIFY = F$VERIFY(F$TRNLNM("SYLOGIN_VERIFY")) %SET-W-NOTSET, error modifying CFAKU1$DKB0: -SET-E-INVDEV, device is invalid for requested operation $ EXIT $SET DEF 1900 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN B1900OZ.PUN FOR007 $ASSIGN C1900OZ.EIG FOR003 $ASSIGN H1900OZ.HAM FOR001 $ASSIGN EAV1900OZ.DAT FOR066 $ASSIGN POOLG:B1900O15 FOR015 $ASSIGN POOLG:B1900O16 FOR016 $RUN CRAY:LEAST3007 NPAR 236 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 1 k 0 T p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 U p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 V p 5 d 2 s 0 p 0 p 0 f 0 h 0 k 0 W p 5 d 1 s 1 p 0 p 0 f 0 h 0 k 0 X 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 11 7 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 149 38 1 0 29 67 101 127 138 145 147 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 0 1 Sansonetti, J.E. 2008. J.Phys.Chem.Ref.Data 27, 7-96. 2 Risberg, P. 1956. Ark. Fys. 10, 583-606. 3 4 5 6 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 11 7 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19.00 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 10h 3p6 8k 3p6 9k 3p5 3d2 3p5 3d4s 3p5 4s2 SENORITY MIXING CORRECTIONS 0 0.5 12985.186 3p6.4p 2P 4p 2P 0 0.5 24701.382 0.665 3p6.5p 2P 5p 2P 0 0.5 28999.27 0.6663 3p6.6p 2P 6p 2P 0 0.5 31069.90 0.6659 3p6.7p 2P 7p 2P 0 0.5 32227.44 3p6.8p 2P 8p 2P 0 0.5 32940.203 3p6.9p 2P 9p 2P 0 0.5 33410.231 3p6.10p 2P 10p 2P 0 0.5 33736.498 3p6.11p 2P 11p 2P 0 0.5 33972.206 3p6.12p 2P 12p 2P 0 0.5 34148.028 3p6.13p 2P 13p 2P 0 0.5 34282.657 3p6.14p 2P 14p 2P 0 0.5 153085. 3p5.4s2 2P 4s2 2P 0 0.5 159367. 3p5.3d(3P)4s 4P 3d3P4s 4P 0 0.5 162404. 3p5.3d(3P)4s 2P 3d3P4s 2P 0 0.5 172800. 3p5.3d(3D)4s 4D 3d3D4s 4D 0 -1.0 0 1.5 13042.896 3p6.4p 2P 4p 2P 0 1.5 24720.139 3p6.5p 2P 5p 2P 0 1.5 29007.71 1.3337 3p6.6p 2P 6p 2P 0 1.5 31074.40 1.3336 3p6.7p 2P 7p 2P 0 1.5 32230.11 3p6.8p 2P 8p 2P 0 1.5 32941.926 3p6.9p 2P 9p 2P 0 1.5 33411.399 3p6.10p 2P 10p 2P 0 1.5 33737.328 3p6.11p 2P 11p 2P 0 1.5 33972.815 3p6.12p 2P 12p 2P 0 1.5 34148.486 3p6.13p 2P 13p 2P 0 1.5 34283.018 3p6.14p 2P 14p 2P 0 1.5 151008. 3p5.4s2 2P 4s2 2P 0 1.5 159678. 3p5.3d(3P)4s 4P 3d3P4s 4P 0 1.5 163006. 3p5.3d(3P)4s 2P 3d3P4s 2P 1 1.5 166221. 3p5.3d(3F)4s 4F 3d3F4s 4F 0 1.5 172623. 3p5.3d(3D)4s 4D 3d3D4s 4D 0 1.5 173198. 3p5.3d(1D)4s 2D 3d1D4s 2D 1 1.5 179887. 3p5.3d(3D)4s 2D 3d3D4s 2D 0 -1.0 0 2.5 28127.85 3p6.4f 2F 4f 2F 0 2.5 30606.73 3p6.5f 2F 5f 2F 0 2.5 31953.17 3p6.6f 2F 6f 2F 0 2.5 32764.80 3p6.7f 2F 7f 2F 0 2.5 33291.40 3p6.8f 2F 8f 2F 0 2.5 33652.32 3p6.9f 2F 9f 2F 0 2.5 33910.42 3p6.10f 2F 10f 2F 0 2.5 34101.36 3p6.11f 2F 11f 2F 0 2.5 34246.37 3p6.12f 2F 12f 2F 0 2.5 34359.36 3p6.13f 2F 13f 2F 0 2.5 34448.98 3p6.14f 2F 14f 2F 0 2.5 160245. 3p5.3d(3P)4s 4P 3d3P4s 4P 1 2.5 165729. 3p5.3d(3F)4s 4F 3d3F4s 4F 0 2.5 167964. 3p5.3d(3F)4s 2F 3d3F4s 2F 1 2.5 3p5.3d(3D)4s 4D 3d3D4s 4D 0 2.5 173371. 3p5.3d(1D)4s 2D 3d1D4s 2D 0 2.5 174577. 3p5.3d(1F)4s 2F 3d1F4s 2F 1 2.5 179549. 3p5.3d(3D)4s 2D 3d3D4s 2D 0 2.5 179918. 3p5.p2 4P p2 4P 0 -1.0 0 3.5 28127.85 3p6.4f 2F 4f 2F 0 3.5 30606.73 3p6.5f 2F 5f 2F 0 3.5 31953.17 3p6.6f 2F 6f 2F 0 3.5 32764.80 3p6.7f 2F 7f 2F 0 3.5 33291.40 3p6.8f 2F 8f 2F 0 3.5 33652.32 3p6.9f 2F 9f 2F 0 3.5 33910.42 3p6.10f 2F 10f 2F 0 3.5 34101.36 3p6.11f 2F 11f 2F 0 3.5 34246.37 3p6.12f 2F 12f 2F 0 3.5 34359.36 3p6.13f 2F 13f 2F 0 3.5 34448.98 3p6.14f 2F 14f 2F 1 3.5 165213. 3p5.3d(3F)4s 4F 3d3F4s 4F 1 3.5 167528. 3p5.3d(3F)4s 2F 3d3F4s 2F 0 3.5 172072. 3p5.3d(3D)4s 4D 3d3D4s 4D 0 3.5 174319. 3p5.3d(1F)4s 2F 3d1F4s 2F 0 -1.0 0 4.5 31960.94 P 3p6.6h 2H 6h 2H polar 0 4.5 32769.83 P 3p6.7h 2H 7h 2H polar 0 4.5 33294.84 P 3p6.8h 2H 8h 2H polar 0 4.5 33654.78 P 3p6.9h 2H 9h 2H polar 0 4.5 33912.24 P 3p6.10h 2H 10h 2H polar 1 4.5 3p5.3d(3F)4s 4F 3d3F4s 4F 0 -1.0 0 5.5 31960.94 P 3p6.6h 2H 6h 2H polar 0 5.5 32769.83 P 3p6.7h 2H 7h 2H polar 0 5.5 33294.84 P 3p6.8h 2H 8h 2H polar 0 5.5 33654.78 P 3p6.9h 2H 9h 2H polar 0 5.5 33912.24 P 3p6.10h 2H 10h 2H polar 0 -1.0 0 6.5 33295.10 P 3p6.8k 2K 8k 2K polar 0 6.5 33654.97 P 3p6.9k 2K 9k 2K polar 0 7.5 33295.10 P 3p6.8k 2K 8k 2K polar 0 7.5 33654.97 P 3p6.9k 2K 9k 2K polar 236 173.1 48 LEAST SQUARES 1 1 EAV 14038.7 123.0 12745.8 1.000 0 0.0 0 3p6 4p 2 1 ZETA 4 36.7 164.0 43.6 1.000 0 0.0 0 3 2 EAV 24765.1 122.0 25028.9 1.000 0 0.0 0 3p6 5p 4 2 ZETA 5 12.4 163.0 15.4 1.000 0 0.0 0 5 3 EAV 29026.3 122.0 29449.3 1.000 0 0.0 0 3p6 6p 6 3 ZETA 5 5.6 163.0 7.1 1.000 0 0.0 0 7 4 EAV 31083.9 122.0 31564.2 1.000 0 0.0 0 3p6 7p 8 4 ZETA 5 3.0 163.0 3.9 1.000 0 0.0 0 9 5 EAV 32235.6 122.0 32741.4 1.000 0 0.0 0 3p6 8p 10 5 ZETA 5 1.8 163.0 2.3 1.000 0 0.0 0 11 6 EAV 32945.4 122.0 33464.4 1.000 0 0.0 0 3p6 9p 12 6 ZETA 5 1.1 163.0 1.5 1.000 0 0.0 0 13 7 EAV 33413.8 122.0 33940.3 1.000 0 0.0 0 3p6 10p 14 7 ZETA 5 0.8 163.0 1.0 1.000 0 0.0 0 15 8 EAV 33739.0 122.0 34270.0 1.000 0 0.0 0 3p6 11p 16 8 ZETA 5 0.6 163.0 0.7 1.000 0 0.0 0 17 9 EAV 33974.0 122.0 34507.9 1.000 0 0.0 0 3p6 12p 18 9 ZETA 5 0.4 163.0 0.6 1.000 0 0.0 0 19 A EAV 34149.4 122.0 34685.4 1.000 0 0.0 0 3p6 13p 20 A ZETA 5 0.3 163.0 0.4 1.000 0 0.0 0 21 B EAV 34283.7 122.0 34821.1 1.000 0 0.0 0 3p6 14p 22 B ZETA 5 0.2 163.0 0.3 1.000 0 0.0 0 23 C EAV 186560.7 204.0 189399.6 1.000 0 0.0 0 3p5 4p2 24 C F2(44) 14967.2 0.0 18709.0 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 1504.1 0.0 1504.1 FIXEDHF 1.000 0 0.0 0 27 C ZETA 4 93.9 0.0 93.9 FIXEDHF 1.000 0 0.0 0 28 C F2(14) 6245.0 0.0 7806.2 FIXEDHF 0.800 0 0.0 0 29 C G0(14) 2087.6 0.0 2609.5 FIXEDHF 0.800 0 0.0 0 30 C G2(14) 1961.8 0.0 2452.2 FIXEDHF 0.800 0 0.0 0 31 D EAV 28129.5 122.0 28673.7 1.000 0 0.0 0 3p6 4f 32 D ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 33 E EAV 30607.9 122.0 31148.0 1.000 0 0.0 0 3p6 5f 34 E ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 35 F EAV 31953.9 122.0 32493.9 1.000 0 0.0 0 3p6 6f 36 F ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 37 G EAV 32765.3 122.0 33305.9 1.000 0 0.0 0 3p6 7f 38 G ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 39 H EAV 33291.8 122.0 33832.6 1.000 0 0.0 0 3p6 8f 40 H ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 I EAV 33652.6 122.0 34193.8 1.000 0 0.0 0 3p6 9f 42 I ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 J EAV 33910.6 122.0 34452.1 1.000 0 0.0 0 3p6 10f 44 J ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 K EAV 34101.5 122.0 34643.2 1.000 0 0.0 0 3p6 11f 46 K ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 L EAV 34246.5 122.0 34788.5 1.000 0 0.0 0 3p6 12f 48 L ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 M EAV 34359.4 122.0 34901.5 1.000 0 0.0 0 3p6 13f 50 M ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 N EAV 34449.1 122.0 34991.1 1.000 0 0.0 0 3p6 14f 52 N ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 O EAV 31960.9 122.0 32503.5 1.000 0 0.0 0 3p6 6h 54 O ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 P EAV 32769.8 122.0 33312.1 1.000 0 0.0 0 3p6 7h 56 P ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 Q EAV 33294.8 122.0 33837.1 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 33654.8 122.0 34197.1 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 33912.2 122.0 34454.4 1.000 0 0.0 0 3p6 10h 62 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 T EAV 33295.1 122.0 33837.1 1.000 0 0.0 0 3p6 8k 64 T ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 U EAV 33655.0 122.0 34197.0 1.000 0 0.0 0 3p6 9k 66 U ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 V EAV 196502.1 0.0 196502.1 FIXEDHF 1.000 0 0.0 0 3p5 3d2 68 V F2(22) 15367.4 0.0 19209.2 FIXEDHF 0.800 0 0.0 0 69 V F4(22) 9191.4 0.0 11489.3 FIXEDHF 0.800 0 0.0 0 70 V ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 71 V BETA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 72 V t(d 2) 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 73 V ZETA 1 1453.4 0.0 1453.4 FIXEDHF 1.000 0 0.0 0 74 V ZETA 2 9.2 0.0 9.2 FIXEDHF 1.000 0 0.0 0 75 V F2(12) 18563.8 0.0 23204.7 FIXEDHF 0.800 0 0.0 0 76 V G1(12) 20540.4 0.0 25675.5 FIXEDHF 0.800 0 0.0 0 77 V G3(12) 11902.9 0.0 14878.6 FIXEDHF 0.800 0 0.0 0 78 W EAV 171120.4 50.0 171558.5 1.000 0 0.0 0 3p5 3d4s 79 W ZETA 1 1324.7 187.0 1453.3 1.000 0 0.0 0 80 W ZETA 2 15.9 0.0 15.9 FIXEDHF 1.000 0 0.0 0 81 W F2(12) 31916.9 307.0 34678.4 0.800 0 0.0 0 82 W G1(12) 32530.7 0.0 40663.4 FIXEDHF 0.800 0 0.0 0 83 W G3(12) 25356.5 539.0 23725.8 0.800 0 0.0 0 84 W G1(13) 2856.0 276.0 3307.2 0.800 0 0.0 0 85 W G2(23) 11109.9 799.0 15234.6 0.800 0 0.0 0 86 X EAV 155211.1 133.0 153875.7 1.000 0 0.0 0 3p5 4s2 87 X ZETA 1 1492.9 0.0 1492.9 FIXEDHF 1.000 0 0.0 0 88 1C 0D1114 1613.2 0.0 2016.5 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 4p2 89 1C 2D1114 7232.2 0.0 9040.3 FIXEDHF 0.800 0 0.0 0 90 1C 0D1444 76.1 0.0 95.1 FIXEDHF 0.800 0 0.0 0 91 1C 2D1444 -1050.3 0.0 -1312.9 FIXEDHF 0.800 0 0.0 0 92 1V 1D1422 -3441.2 0.0 -4301.5 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 3d2 93 1V 3D1422 -427.9 0.0 -534.9 FIXEDHF 0.800 0 0.0 0 94 1W 1D1423 8915.8 0.0 11144.7 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 3d4s 95 1W 1E1423 2555.0 0.0 3193.8 FIXEDHF 0.800 0 0.0 0 96 1X 1D1433 -2721.8 0.0 -3402.2 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 4s2 97 2C 0D1544 336.0 0.0 420.0 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 4p2 98 2C 2D1544 -451.5 0.0 -564.4 FIXEDHF 0.800 0 0.0 0 99 2V 1D1522 -1277.0 0.0 -1596.2 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 3d2 100 2V 3D1522 -203.9 0.0 -254.9 FIXEDHF 0.800 0 0.0 0 101 2W 1D1523 4480.3 0.0 5600.4 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 3d4s 102 2W 1E1523 1292.1 0.0 1615.1 FIXEDHF 0.800 0 0.0 0 103 2X 1D1533 -1285.7 0.0 -1607.1 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 4s2 104 3C 0D1544 222.3 0.0 277.9 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 4p2 105 3C 2D1544 -273.0 0.0 -341.3 FIXEDHF 0.800 0 0.0 0 106 3V 1D1522 -762.9 0.0 -953.6 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 3d2 107 3V 3D1522 -130.2 0.0 -162.7 FIXEDHF 0.800 0 0.0 0 108 3W 1D1523 2884.2 0.0 3605.2 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 3d4s 109 3W 1E1523 838.0 0.0 1047.5 FIXEDHF 0.800 0 0.0 0 110 3X 1D1533 -807.2 0.0 -1009.0 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 4s2 111 4C 0D1544 161.5 0.0 201.9 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 4p2 112 4C 2D1544 -189.4 0.0 -236.7 FIXEDHF 0.800 0 0.0 0 113 4V 1D1522 -527.9 0.0 -659.9 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 3d2 114 4V 3D1522 -93.0 0.0 -116.3 FIXEDHF 0.800 0 0.0 0 115 4W 1D1523 2067.5 0.0 2584.4 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 3d4s 116 4W 1E1523 603.4 0.0 754.2 FIXEDHF 0.800 0 0.0 0 117 4X 1D1533 -571.1 0.0 -713.9 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 4s2 118 5C 0D1544 124.3 0.0 155.4 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 4p2 119 5C 2D1544 -141.7 0.0 -177.1 FIXEDHF 0.800 0 0.0 0 120 5V 1D1522 -394.9 0.0 -493.6 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 3d2 121 5V 3D1522 -70.9 0.0 -88.6 FIXEDHF 0.800 0 0.0 0 122 5W 1D1523 1578.9 0.0 1973.6 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 3d4s 123 5W 1E1523 462.0 0.0 577.5 FIXEDHF 0.800 0 0.0 0 124 5X 1D1533 -432.7 0.0 -540.9 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 4s2 125 6C 0D1544 99.5 0.0 124.4 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 4p2 126 6C 2D1544 -111.4 0.0 -139.2 FIXEDHF 0.800 0 0.0 0 127 6V 1D1522 -310.3 0.0 -387.9 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 3d2 128 6V 3D1522 -56.3 0.0 -70.4 FIXEDHF 0.800 0 0.0 0 129 6W 1D1523 1257.8 0.0 1572.2 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 3d4s 130 6W 1E1523 368.7 0.0 460.9 FIXEDHF 0.800 0 0.0 0 131 6X 1D1533 -343.0 0.0 -428.7 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 4s2 132 7C 0D1544 82.1 0.0 102.6 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 4p2 133 7C 2D1544 -90.6 0.0 -113.3 FIXEDHF 0.800 0 0.0 0 134 7V 1D1522 -252.4 0.0 -315.5 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 3d2 135 7V 3D1522 -46.2 0.0 -57.7 FIXEDHF 0.800 0 0.0 0 136 7W 1D1523 1033.1 0.0 1291.4 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 3d4s 137 7W 1E1523 303.2 0.0 379.0 FIXEDHF 0.800 0 0.0 0 138 7X 1D1533 -280.6 0.0 -350.8 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 4s2 139 8C 0D1544 69.1 0.0 86.4 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 4p2 140 8C 2D1544 -75.6 0.0 -94.5 FIXEDHF 0.800 0 0.0 0 141 8V 1D1522 -210.6 0.0 -263.2 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 3d2 142 8V 3D1522 -38.7 0.0 -48.4 FIXEDHF 0.800 0 0.0 0 143 8W 1D1523 868.4 0.0 1085.5 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 3d4s 144 8W 1E1523 255.1 0.0 318.9 FIXEDHF 0.800 0 0.0 0 145 8X 1D1533 -235.2 0.0 -294.0 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 4s2 146 9C 0D1544 59.3 0.0 74.1 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 4p2 147 9C 2D1544 -64.3 0.0 -80.4 FIXEDHF 0.800 0 0.0 0 148 9V 1D1522 -179.2 0.0 -224.0 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 3d2 149 9V 3D1522 -33.0 0.0 -41.3 FIXEDHF 0.800 0 0.0 0 150 9W 1D1523 743.4 0.0 929.2 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 3d4s 151 9W 1E1523 218.6 0.0 273.2 FIXEDHF 0.800 0 0.0 0 152 9X 1D1533 -201.0 0.0 -251.2 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 4s2 153 AC 0D1544 51.6 0.0 64.5 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 4p2 154 AC 2D1544 -55.7 0.0 -69.6 FIXEDHF 0.800 0 0.0 0 155 AV 1D1522 -154.9 0.0 -193.6 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 3d2 156 AV 3D1522 -28.6 0.0 -35.8 FIXEDHF 0.800 0 0.0 0 157 AW 1D1523 645.8 0.0 807.2 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 3d4s 158 AW 1E1523 190.0 0.0 237.5 FIXEDHF 0.800 0 0.0 0 159 AX 1D1533 -174.2 0.0 -217.8 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 4s2 160 BC 0D1544 45.4 0.0 56.8 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 4p2 161 BC 2D1544 -48.8 0.0 -61.0 FIXEDHF 0.800 0 0.0 0 162 BV 1D1522 -135.7 0.0 -169.6 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 3d2 163 BV 3D1522 -25.2 0.0 -31.5 FIXEDHF 0.800 0 0.0 0 164 BW 1D1523 567.8 0.0 709.8 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 3d4s 165 BW 1E1523 167.1 0.0 208.9 FIXEDHF 0.800 0 0.0 0 166 BX 1D1533 -153.0 0.0 -191.3 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 4s2 167 CD 2D4416 -163.5 0.0 -204.4 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 4f 168 CE 2D4416 -141.0 0.0 -176.2 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 5f 169 CF 2D4416 -115.8 0.0 -144.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 6f 170 CG 2D4416 -95.8 0.0 -119.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 7f 171 CH 2D4416 -80.4 0.0 -100.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 8f 172 CI 2D4416 -68.5 0.0 -85.6 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 9f 173 CJ 2D4416 -59.2 0.0 -74.0 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 10f 174 CK 2D4416 -51.8 0.0 -64.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 11f 175 CL 2D4416 -45.8 0.0 -57.2 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 12f 176 CM 2D4416 -40.8 0.0 -51.0 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 13f 177 CN 2D4416 -36.6 0.0 -45.8 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 14f 178 CV 1D4422 13815.8 0.0 17269.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 3d2 179 CV 3D4422 8721.8 0.0 10902.3 FIXEDHF 0.800 0 0.0 0 180 CW 1D4423 -14216.2 0.0 -17770.3 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 3d4s 181 CX 1D4433 20038.2 0.0 25047.8 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 4s2 182 DV 1D1622 -841.9 0.0 -1052.4 FIXEDHF 0.800 0 0.0 0 3p6 4f -3p5 3d2 183 DV 3D1622 -172.0 0.0 -215.0 FIXEDHF 0.800 0 0.0 0 184 DW 3D1623 193.9 0.0 242.4 FIXEDHF 0.800 0 0.0 0 3p6 4f -3p5 3d4s 185 DW 1E1623 247.2 0.0 309.0 FIXEDHF 0.800 0 0.0 0 186 EV 1D1622 -701.2 0.0 -876.5 FIXEDHF 0.800 0 0.0 0 3p6 5f -3p5 3d2 187 EV 3D1622 -154.2 0.0 -192.7 FIXEDHF 0.800 0 0.0 0 188 EW 3D1623 174.6 0.0 218.2 FIXEDHF 0.800 0 0.0 0 3p6 5f -3p5 3d4s 189 EW 1E1623 212.6 0.0 265.7 FIXEDHF 0.800 0 0.0 0 190 FV 1D1622 -567.5 0.0 -709.4 FIXEDHF 0.800 0 0.0 0 3p6 6f -3p5 3d2 191 FV 3D1622 -129.4 0.0 -161.7 FIXEDHF 0.800 0 0.0 0 192 FW 3D1623 146.7 0.0 183.4 FIXEDHF 0.800 0 0.0 0 3p6 6f -3p5 3d4s 193 FW 1E1623 174.6 0.0 218.2 FIXEDHF 0.800 0 0.0 0 194 GV 1D1622 -465.6 0.0 -582.0 FIXEDHF 0.800 0 0.0 0 3p6 7f -3p5 3d2 195 GV 3D1622 -108.4 0.0 -135.5 FIXEDHF 0.800 0 0.0 0 196 GW 3D1623 123.0 0.0 153.8 FIXEDHF 0.800 0 0.0 0 3p6 7f -3p5 3d4s 197 GW 1E1623 144.4 0.0 180.5 FIXEDHF 0.800 0 0.0 0 198 HV 1D1622 -389.0 0.0 -486.3 FIXEDHF 0.800 0 0.0 0 3p6 8f -3p5 3d2 199 HV 3D1622 -91.8 0.0 -114.8 FIXEDHF 0.800 0 0.0 0 200 HW 3D1623 104.2 0.0 130.3 FIXEDHF 0.800 0 0.0 0 3p6 8f -3p5 3d4s 201 HW 1E1623 121.2 0.0 151.5 FIXEDHF 0.800 0 0.0 0 202 IV 1D1622 -330.6 0.0 -413.2 FIXEDHF 0.800 0 0.0 0 3p6 9f -3p5 3d2 203 IV 3D1622 -78.8 0.0 -98.5 FIXEDHF 0.800 0 0.0 0 204 IW 3D1623 89.4 0.0 111.8 FIXEDHF 0.800 0 0.0 0 3p6 9f -3p5 3d4s 205 IW 1E1623 103.4 0.0 129.2 FIXEDHF 0.800 0 0.0 0 206 JV 1D1622 -285.1 0.0 -356.4 FIXEDHF 0.800 0 0.0 0 3p6 10f -3p5 3d2 207 JV 3D1622 -68.4 0.0 -85.5 FIXEDHF 0.800 0 0.0 0 208 JW 3D1623 77.7 0.0 97.1 FIXEDHF 0.800 0 0.0 0 3p6 10f -3p5 3d4s 209 JW 1E1623 89.4 0.0 111.7 FIXEDHF 0.800 0 0.0 0 210 KV 1D1622 -249.0 0.0 -311.2 FIXEDHF 0.800 0 0.0 0 3p6 11f -3p5 3d2 211 KV 3D1622 -60.1 0.0 -75.1 FIXEDHF 0.800 0 0.0 0 212 KW 3D1623 68.2 0.0 85.2 FIXEDHF 0.800 0 0.0 0 3p6 11f -3p5 3d4s 213 KW 1E1623 78.2 0.0 97.7 FIXEDHF 0.800 0 0.0 0 214 LV 1D1622 -219.8 0.0 -274.7 FIXEDHF 0.800 0 0.0 0 3p6 12f -3p5 3d2 215 LV 3D1622 -53.2 0.0 -66.5 FIXEDHF 0.800 0 0.0 0 216 LW 3D1623 60.4 0.0 75.5 FIXEDHF 0.800 0 0.0 0 3p6 12f -3p5 3d4s 217 LW 1E1623 69.1 0.0 86.4 FIXEDHF 0.800 0 0.0 0 218 MV 1D1622 -195.8 0.0 -244.8 FIXEDHF 0.800 0 0.0 0 3p6 13f -3p5 3d2 219 MV 3D1622 -47.6 0.0 -59.5 FIXEDHF 0.800 0 0.0 0 220 MW 3D1623 54.0 0.0 67.5 FIXEDHF 0.800 0 0.0 0 3p6 13f -3p5 3d4s 221 MW 1E1623 61.6 0.0 77.0 FIXEDHF 0.800 0 0.0 0 222 NV 1D1622 -175.9 0.0 -219.9 FIXEDHF 0.800 0 0.0 0 3p6 14f -3p5 3d2 223 NV 3D1622 -42.8 0.0 -53.5 FIXEDHF 0.800 0 0.0 0 224 NW 3D1623 48.6 0.0 60.8 FIXEDHF 0.800 0 0.0 0 3p6 14f -3p5 3d4s 225 NW 1E1623 55.4 0.0 69.2 FIXEDHF 0.800 0 0.0 0 226 OV 3D1722 -1.5 0.0 -1.9 FIXEDHF 0.800 0 0.0 0 3p6 6h -3p5 3d2 227 PV 3D1722 -1.8 0.0 -2.2 FIXEDHF 0.800 0 0.0 0 3p6 7h -3p5 3d2 228 QV 3D1722 -1.8 0.0 -2.2 FIXEDHF 0.800 0 0.0 0 3p6 8h -3p5 3d2 229 RV 3D1722 -1.6 0.0 -2.0 FIXEDHF 0.800 0 0.0 0 3p6 9h -3p5 3d2 230 SV 3D1722 -1.5 0.0 -1.9 FIXEDHF 0.800 0 0.0 0 3p6 10h -3p5 3d2 231 VW 2D1213 -3505.4 0.0 -4381.7 FIXEDHF 0.800 0 0.0 0 3p5 3d2 -3p5 3d4s 232 VW 1E1213 1195.6 0.0 1494.5 FIXEDHF 0.800 0 0.0 0 233 VW 2D2223 -11659.0 0.0 -14573.8 FIXEDHF 0.800 0 0.0 0 234 VX 2D2233 13343.6 0.0 16679.5 FIXEDHF 0.800 0 0.0 0 3p5 3d2 -3p5 4s2 235 WX 2D1213 -3481.0 0.0 -4351.3 FIXEDHF 0.800 0 0.0 0 3p5 3d4s -3p5 4s2 236 WX 1E1213 1369.8 0.0 1712.3 FIXEDHF 0.800 0 0.0 0 19.00 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 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 12985.186 12985.117 -0.1 0.666 4p 2P 0.997 1(2P)2P 1 0.053 C(3P)2P 14 0.038 C(1D)2P 15 2 24701.382 24701.447 0.1 0.665 0.666 5p 2P -1.000 2(1S)2P 2 3 28999.27 28999.281 0.0 0.666 0.666 6p 2P 1.000 3(1S)2P 3 4 31069.90 31069.862 0.0 0.665 0.666 7p 2P 1.000 4(1S)2P 4 5 32227.44 32227.360 -0.1 0.666 8p 2P 1.000 5(1S)2P 5 6 32940.203 32940.217 0.0 0.666 9p 2P 1.000 6(1S)2P 6 7 33410.231 33410.249 0.0 0.666 10p 2P 1.000 7(1S)2P 7 8 33736.498 33736.461 0.0 0.666 11p 2P -1.000 8(1S)2P 8 9 33972.206 33972.184 0.0 0.666 12p 2P -1.000 9(1S)2P 9 10 34148.028 34148.036 0.0 0.666 13p 2P 1.000 A(1S)2P 10 11 34282.657 34282.683 0.0 0.666 14p 2P 1.000 B(1S)2P 11 12 153085. 153146.170 61.2 0.666 4s2 2P -0.959 X(2P)2P 29 -0.249 C(1S)2P 16 -0.113 W(3P)2P 28 13 159367. 159278.179 -88.8 2.665 3d3P4s 4P 0.998 W(3P)4P 26 -0.041 W(3P)2P 28 0.031 V(3P)4P 20 14 162404. 162678.735 274.7 0.668 3d3P4s 2P -0.961 W(3P)2P 28 -0.233 C(1D)2P 15 0.113 X(2P)2P 29 15 172800. 172882.515 82.5 0.001 3d3D4s 4D 0.995 W(3D)4D 25 -0.077 V(3F)4D 18 0.040 W(3P)2P 28 16 180764.171 2.496 -0.861 C(3P)4P 13 -0.392 V(3P)4P 20 0.193 C(3P)2S 17 17 182118.605 0.645 -0.528 C(3P)2P 14 0.511 C(1D)2P 15 0.400 C(3P)4D 12 18 183173.882 0.168 -0.730 C(3P)4D 12 -0.364 V(3P)4D 19 0.325 C(1D)2P 15 19 185283.576 2.026 0.936 C(3P)2S 17 0.255 V(3P)2S 24 0.196 C(3P)4P 13 20 187524.554 0.003 -0.853 V(3F)4D 18 0.451 C(3P)4D 12 -0.245 V(3P)4D 19 J 0.5 21 190068.144 0.666 -0.704 C(1S)2P 16 -0.557 V(1S)2P 23 0.369 C(1D)2P 15 22 192767.454 2.112 -0.774 V(3P)4P 20 0.395 C(3P)2P 14 0.347 C(3P)4P 13 23 193076.959 1.209 0.656 C(3P)2P 14 0.462 V(3P)4P 20 0.379 V(1D)2P 22 24 196973.101 0.662 -0.661 V(1D)2P 22 0.433 C(1D)2P 15 0.384 V(3P)2P 21 25 199380.313 0.010 -0.870 V(3P)4D 19 0.392 V(3F)4D 18 0.276 C(3P)4D 12 26 202723.915 2.005 0.958 V(3P)2S 24 -0.265 C(3P)2S 17 0.091 V(3P)4P 20 27 205394.012 0.667 0.910 W(1P)2P 27 0.287 V(3P)2P 21 0.199 C(1D)2P 15 28 213014.581 0.666 -0.632 V(1S)2P 23 0.470 C(1S)2P 16 0.378 V(1D)2P 22 29 219551.100 0.666 0.759 V(3P)2P 21 0.470 V(1S)2P 23 0.315 V(1D)2P 22 29 VECTORS WRITTEN TO UNIT 3 19.00 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 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 13042.896 13042.776 -0.1 1.334 4p 2P 0.997 1(2P)2P 1 0.053 C(3P)2P 17 0.038 C(1D)2P 18 2 24720.139 24720.140 0.0 1.334 5p 2P -1.000 2(1S)2P 2 3 29007.71 29007.724 0.0 1.333 1.334 6p 2P 1.000 3(1S)2P 3 4 31074.40 31074.385 0.0 1.333 1.334 7p 2P 1.000 4(1S)2P 4 5 32230.11 32230.074 0.0 1.334 8p 2P -1.000 5(1S)2P 5 6 32941.926 32941.876 -0.1 1.334 9p 2P -1.000 6(1S)2P 6 7 33411.399 33411.455 0.1 1.334 10p 2P -1.000 7(1S)2P 7 8 33737.328 33737.366 0.0 1.334 11p 2P 1.000 8(1S)2P 8 9 33972.815 33972.787 0.0 1.334 12p 2P -1.000 9(1S)2P 9 10 34148.486 34148.488 0.0 1.334 13p 2P 1.000 A(1S)2P 10 11 34283.018 34282.985 0.0 1.334 14p 2P -1.000 B(1S)2P 11 12 151008. 150941.125 -66.9 1.334 4s2 2P -0.962 X(2P)2P 38 -0.250 C(1S)2P 19 -0.086 W(3P)2P 37 13 159678. 159585.431 -92.6 1.732 3d3P4s 4P 0.996 W(3P)4P 33 -0.061 W(3P)2P 37 -0.043 W(3D)4D 32 14 163006. 163290.663 284.7 1.332 3d3P4s 2P -0.961 W(3P)2P 37 -0.228 C(1D)2P 18 0.085 X(2P)2P 38 15 166221. 165218.907 0.404 3d3F4s 4F 0.995 W(3F)4F 31 -0.078 W(1D)2D 34 -0.051 W(3D)4D 32 16 172623. 172754.444 131.4 1.157 3d3D4s 4D 0.942 W(3D)4D 32 0.307 W(1D)2D 34 0.073 W(3F)4F 31 17 173198. 173379.349 181.3 0.841 3d1D4s 2D -0.898 W(1D)2D 34 0.310 W(3D)4D 32 0.237 C(1D)2D 16 18 179887. 174749.240 0.801 3d3D4s 2D 0.915 W(3D)2D 35 0.309 C(1D)2D 16 0.225 W(1D)2D 34 19 180371.999 1.697 -0.858 C(3P)4P 13 -0.391 V(3P)4P 23 0.211 C(3P)4D 12 20 182184.962 1.188 -0.680 C(3P)4D 12 -0.411 C(3P)2D 15 -0.313 V(3P)4D 22 J 1.5 21 182607.931 1.269 -0.515 C(3P)2P 17 0.489 C(1D)2P 18 -0.349 C(3P)2D 15 22 183997.533 0.940 -0.798 C(3P)2D 15 0.411 C(3P)4D 12 0.231 V(3P)4D 22 23 185263.342 1.960 -0.925 C(3P)4S 14 -0.252 V(3P)4S 24 -0.162 C(3P)4P 13 24 187292.397 0.879 0.629 C(1D)2D 16 0.596 V(1D)2D 27 0.239 C(1S)2P 19 25 187601.243 1.178 0.825 V(3F)4D 21 -0.426 C(3P)4D 12 0.261 V(3P)4D 22 26 188507.728 1.294 -0.654 C(1S)2P 19 -0.508 V(1S)2P 30 0.378 C(1D)2P 18 27 192461.126 1.677 0.875 V(3P)4P 23 -0.401 C(3P)4P 13 -0.182 V(3F)4F 20 28 192635.409 0.454 0.973 V(3F)4F 20 0.164 V(3P)4P 23 -0.078 C(3P)4P 13 29 193793.590 1.340 0.732 C(3P)2P 17 0.454 C(1D)2P 18 0.432 V(1D)2P 29 30 197103.432 1.201 -0.578 V(1D)2P 29 0.378 C(1D)2P 18 0.351 V(3P)2P 28 31 198621.995 0.955 -0.434 C(1D)2D 16 0.407 V(1D)2D 27 -0.393 V(3F)2D 25 32 199053.486 1.155 -0.774 V(3P)4D 22 0.364 V(3F)4D 21 0.242 C(3P)4D 12 33 201358.161 0.829 -0.850 V(3P)2D 26 0.279 V(1D)2D 27 0.238 C(3P)2D 15 34 202679.655 1.992 0.955 V(3P)4S 24 -0.265 C(3P)4S 14 0.073 W(1P)2P 36 35 205429.048 1.337 -0.884 W(1P)2P 36 -0.291 V(3P)2P 28 -0.210 C(1D)2P 18 36 211699.074 1.333 0.681 V(1S)2P 30 -0.478 C(1S)2P 19 -0.358 V(1D)2P 29 37 219472.970 1.329 0.801 V(3P)2P 28 0.368 V(1D)2P 29 0.362 V(1S)2P 30 38 220529.862 0.806 0.828 V(3F)2D 25 0.436 V(1D)2D 27 0.306 V(3P)2D 26 38 VECTORS WRITTEN TO UNIT 3 19.00 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 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 28127.85 28127.893 0.0 0.857 4f 2F 1.000 D(1S)2F 6 2 30606.73 30606.768 0.0 0.857 5f 2F 1.000 E(1S)2F 7 3 31953.17 31953.153 0.0 0.857 6f 2F 1.000 F(1S)2F 8 4 32764.80 32764.795 0.0 0.857 7f 2F 1.000 G(1S)2F 9 5 33291.40 33291.446 0.0 0.857 8f 2F -1.000 H(1S)2F 10 6 33652.32 33652.344 0.0 0.857 9f 2F -1.000 I(1S)2F 11 7 33910.42 33910.410 0.0 0.857 10f 2F -1.000 J(1S)2F 12 8 34101.36 34101.355 0.0 0.857 11f 2F 1.000 K(1S)2F 13 9 34246.37 34246.387 0.0 0.857 12f 2F -1.000 L(1S)2F 14 10 34359.36 34359.310 0.0 0.857 13f 2F -1.000 M(1S)2F 15 11 34448.98 34449.027 0.0 0.857 14f 2F 1.000 N(1S)2F 16 12 160245. 160133.607 -111.4 1.600 3d3P4s 4P -0.997 W(3P)4P 30 0.054 W(3D)4D 29 -0.045 W(1D)2D 33 13 165729. 164810.596 1.028 3d3F4s 4F -0.988 W(3F)4F 28 -0.110 W(3F)2F 32 0.065 W(3D)4D 29 14 167964. 167567.040 -397.0 0.866 3d3F4s 2F -0.943 W(3F)2F 32 -0.270 C(1D)2F 3 0.108 W(3F)4F 28 15 172567.037 1.345 3d3D4s 4D -0.947 W(3D)4D 29 -0.240 W(1D)2D 33 -0.156 W(1F)2F 31 16 173371. 173077.805 -293.2 1.183 3d1D4s 2D 0.787 W(1D)2D 33 -0.420 W(3D)2D 34 -0.320 C(1D)2D 5 17 174577. 174147.940 -429.1 1.023 3d1F4s 2F -0.720 W(1F)2F 31 -0.437 W(3D)2D 34 -0.428 W(1D)2D 33 18 179549. 174993.858 1.072 3d3D4s 2D -0.699 W(3D)2D 34 0.589 W(1F)2F 31 -0.294 W(1D)2D 33 19 179918. 179945.855 27.9 1.587 p2 4P -0.882 C(3P)4P 2 -0.404 V(3P)4P 21 0.204 C(3P)4D 1 20 181808.223 1.353 0.797 C(3P)4D 1 0.376 C(3P)2D 4 0.360 V(3P)4D 20 J 2.5 21 184637.045 1.235 -0.880 C(3P)2D 4 0.283 C(3P)4D 1 -0.224 V(3P)2D 26 22 186247.910 1.111 -0.592 C(1D)2D 5 -0.552 V(1D)2D 27 0.404 C(1D)2F 3 23 187684.479 1.355 0.830 V(3F)4D 19 -0.408 C(3P)4D 1 0.303 V(3P)4D 20 24 188249.431 0.957 -0.679 C(1D)2F 3 -0.447 V(1D)2F 24 -0.346 V(1D)2D 27 25 190821.839 0.637 0.900 V(3F)4G 17 -0.262 V(3F)4F 18 -0.252 V(3F)2F 22 26 191943.557 1.596 0.900 V(3P)4P 21 -0.417 C(3P)4P 2 0.071 V(3F)4D 19 27 192546.217 0.841 0.698 V(1G)2F 23 -0.605 V(3F)2F 22 -0.301 V(3F)4G 17 28 192732.075 0.988 -0.933 V(3F)4F 18 -0.314 V(3F)4G 17 0.078 V(1G)2F 23 29 197582.268 1.176 0.566 C(1D)2D 5 -0.542 V(1D)2D 27 0.422 V(3F)2D 25 30 198558.999 1.362 0.825 V(3P)4D 20 -0.440 V(3F)4D 19 -0.256 C(3P)4D 1 31 200550.604 0.896 -0.787 V(1D)2F 24 0.450 C(1D)2F 3 -0.213 V(3P)2D 26 32 201909.261 1.197 0.842 V(3P)2D 26 -0.261 V(1D)2D 27 -0.238 C(3P)2D 4 33 210771.013 0.857 0.740 V(3F)2F 22 0.666 V(1G)2F 23 -0.057 V(1D)2F 24 34 220197.317 1.200 0.830 V(3F)2D 25 0.431 V(1D)2D 27 0.326 V(3P)2D 26 34 VECTORS WRITTEN TO UNIT 3 19.00 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 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 28127.85 28127.899 0.0 1.143 4f 2F 1.000 D(1S)2F 3 2 30606.73 30606.772 0.0 1.143 5f 2F 1.000 E(1S)2F 4 3 31953.17 31953.156 0.0 1.143 6f 2F 1.000 F(1S)2F 5 4 32764.80 32764.797 0.0 1.143 7f 2F -1.000 G(1S)2F 6 5 33291.40 33291.448 0.0 1.143 8f 2F 1.000 H(1S)2F 7 6 33652.32 33652.345 0.0 1.143 9f 2F 1.000 I(1S)2F 8 7 33910.42 33910.410 0.0 1.143 10f 2F 1.000 J(1S)2F 9 8 34101.36 34101.355 0.0 1.143 11f 2F -1.000 K(1S)2F 10 9 34246.37 34246.387 0.0 1.143 12f 2F 1.000 L(1S)2F 11 10 34359.36 34359.310 0.0 1.143 13f 2F 1.000 M(1S)2F 12 11 34448.98 34449.028 0.0 1.143 14f 2F 1.000 N(1S)2F 13 12 165213. 164319.239 1.237 3d3F4s 4F 0.987 W(3F)4F 23 0.132 W(3F)2F 26 -0.058 W(3D)4D 24 13 167528. 166587.097 1.146 3d3F4s 2F -0.939 W(3F)2F 26 -0.297 C(1D)2F 2 0.127 W(3F)4F 23 14 172072. 172249.607 177.6 1.408 3d3D4s 4D -0.959 W(3D)4D 24 -0.261 W(1F)2F 25 0.069 C(1D)2F 2 15 174319. 174579.941 260.9 1.163 3d1F4s 2F -0.929 W(1F)2F 25 0.260 W(3D)4D 24 0.203 C(1D)2F 2 16 181345.041 1.429 0.891 C(3P)4D 1 0.397 V(3P)4D 17 0.214 V(3F)4D 16 17 186005.490 1.143 0.797 C(1D)2F 2 0.534 V(1D)2F 22 -0.207 W(3F)2F 26 18 187842.386 1.424 0.834 V(3F)4D 16 -0.371 C(3P)4D 1 0.370 V(3P)4D 17 19 190443.358 1.006 0.943 V(3F)4G 14 -0.275 V(3F)4F 15 0.111 V(3F)2G 18 20 192523.528 1.192 0.876 V(3F)4F 15 0.277 V(3F)4G 14 0.230 V(3F)2G 18 J 3.5 21 193050.120 1.155 -0.667 V(1G)2F 21 0.616 V(3F)2F 20 -0.338 V(3F)4F 15 22 195369.053 0.907 -0.936 V(3F)2G 18 -0.204 V(1G)2G 19 0.179 V(3F)4G 14 23 198177.987 1.423 0.822 V(3P)4D 17 -0.488 V(3F)4D 16 -0.249 C(3P)4D 1 24 198755.388 1.148 -0.825 V(1D)2F 22 0.465 C(1D)2F 2 -0.187 W(3F)2F 26 25 201513.326 0.892 0.968 V(1G)2G 19 -0.222 V(3F)2G 18 -0.115 V(3F)2F 20 26 211505.360 1.142 -0.717 V(3F)2F 20 -0.689 V(1G)2F 21 -0.074 V(1G)2G 19 26 VECTORS WRITTEN TO UNIT 3 19.00 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 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 31960.94 P 31960.900 0.0 0.909 6h 2H 1.000 O(1S)2H 1 2 32769.83 P 32769.800 0.0 0.909 7h 2H 1.000 P(1S)2H 2 3 33294.84 P 33294.800 0.0 0.909 8h 2H -1.000 Q(1S)2H 3 4 33654.78 P 33654.800 0.0 0.909 9h 2H -1.000 R(1S)2H 4 5 33912.24 P 33912.200 0.0 0.909 10h 2H -1.000 S(1S)2H 5 6 163793.882 1.334 3d3F4s 4F -1.000 W(3F)4F 11 7 190005.568 1.180 0.968 V(3F)4G 6 -0.226 V(3F)4F 7 0.107 V(3F)2G 9 8 192206.584 1.315 -0.951 V(3F)4F 7 -0.237 V(3F)2G 9 -0.195 V(3F)4G 6 9 195451.450 0.961 0.871 V(1G)2H 8 -0.398 V(3F)2G 9 -0.260 V(1G)2G 10 10 196039.204 1.076 0.842 V(3F)2G 9 0.464 V(1G)2H 8 -0.183 V(3F)4F 7 11 201395.015 1.106 0.952 V(1G)2G 10 -0.256 V(3F)2G 9 0.163 V(1G)2H 8 11 VECTORS WRITTEN TO UNIT 3 19.00 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 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 31960.94 P 31960.900 0.0 1.091 6h 2H 1.000 O(1S)2H 1 2 32769.83 P 32769.800 0.0 1.091 7h 2H 1.000 P(1S)2H 2 3 33294.84 P 33294.800 0.0 1.091 8h 2H -1.000 Q(1S)2H 3 4 33654.78 P 33654.800 0.0 1.091 9h 2H -1.000 R(1S)2H 4 5 33912.24 P 33912.200 0.0 1.091 10h 2H -1.000 S(1S)2H 5 6 189582.929 1.273 1.000 V(3F)4G 6 7 194136.088 1.091 1.000 V(1G)2H 7 7 VECTORS WRITTEN TO UNIT 3 19.00 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 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 33295.10 P 33295.100 0.0 0.933 8k 2K 1.000 T(1S)2K 1 2 33654.97 P 33655.000 0.0 0.933 9k 2K 1.000 U(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 19.00 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 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 33295.10 P 33295.100 0.0 1.067 8k 2K 1.000 T(1S)2K 1 2 33654.97 P 33655.000 0.0 1.067 9k 2K 1.000 U(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 19-AUG-2012 19:24:45.45 Accounting information: Buffered I/O count: 152 Peak working set size: 9392 Direct I/O count: 237 Peak virtual size: 322544 Page faults: 2034 Mounted volumes: 0 Charged CPU time: 0 00:00:00.15 Elapsed time: 0 00:00:02.56