$ 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 1100 $SET VERIFY=NOIMAGE $ASSIGN B1100EZ.PUN FOR007 $ASSIGN H1100EZ.HAM FOR001 $ASSIGN EAV1100EZ.DAT FOR066 $ASSIGN B1100EZ.EIG FOR003 $ASSIGN POOLG:B1100E15 FOR015 $ASSIGN POOLG:B1100E16 FOR016 $RUN CRAY:LEAST3007 NPAR 241 NJ 7 FIRSTJ 0.5 1 p 6 s 1 p 0 d 0 s 0 d 0 g 0 i 0 2 p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 3 p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 4 p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 5 p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 6 p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 7 p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 8 p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 9 p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 A p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 B p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 C p 6 s 0 p 0 d 0 s 1 d 0 g 0 i 0 D p 6 s 0 p 0 d 1 s 0 d 0 g 0 i 0 E p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 F p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 G p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 H p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 I p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 J p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 K p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 L p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 M p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 N p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 O p 6 s 0 p 0 d 0 s 0 d 1 g 0 i 0 P p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 Q p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 R p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 S p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 T p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 U p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 V p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 W p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 X p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 Y p 6 s 0 p 0 d 0 s 0 d 0 g 1 i 0 Z p 6 s 0 p 0 d 0 s 0 d 0 g 0 i 1 a p 6 s 0 p 0 d 0 s 0 d 0 g 0 i 1 b p 6 s 0 p 0 d 0 s 0 d 0 g 0 i 1 c p 6 s 0 p 0 d 0 s 0 d 0 g 0 i 1 d p 6 s 0 p 0 d 0 s 0 d 0 g 0 i 1 e p 6 s 0 p 0 d 0 s 0 d 0 g 0 i 1 f p 6 s 0 p 0 d 0 s 0 d 0 g 0 i 1 g p 6 s 0 p 0 d 0 s 0 d 0 g 0 i 1 h p 5 s 1 p 1 d 0 s 0 d 0 g 0 i 0 i p 5 s 0 p 1 d 1 s 0 d 0 g 0 i 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2S)2S 1 TOTAL 1 29 37 34 23 15 9 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 155 37 1 0 29 66 100 123 138 147 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155 155 0 1 Kramida, A., Ralchenko, Yu., Reader, J. et al 2012. NIST Atomic Spectra 2 Database /physics.nist.gov/asd 3 Kramida, A.E. 2010. J.Phys. B 43, 205001, 9pp. 4 Sansonetti, J.E. 2008. J. Phys. Chem. Ref. Data 37, 1659-1763. 5 Martin, W.C. 1980. JOSA 70, 784-788. Ritz and polarization levels 6 Risberg, P. 1956. Ark. Fys. 10, 583-606. 7 8 9 0 0 0 0 0.300 1.300 2 1.0 20 30 40 30 30 20 10 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1.0 20 30 34 23 15 9 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.00 2p6 3s 2p6 4s 2p6 5s 2p6 6s 2p6 7s 2p6 8s 2p6 9s 2p6 10s 2p6 11s 2p6 12s 2p6 13s 2p6 14s 2p6 3d 2p6 4d 2p6 5d 2p6 6d 2p6 7d 2p6 8d 2p6 9d 2p6 10d 2p6 11d 2p6 12d 2p6 13d 2p6 14d 2p6 5g 2p6 6g 2p6 7g 2p6 8g 2p6 9g 2p6 10g 2p6 11g 2p6 12g 2p6 13g 2p6 14g 2p6 7i 2p6 8i 2p6 9i 2p6 10i 2p6 11i 2p6 12i 2p6 13i 2p6 14i 2p5 3s3p 2p5 3p3d SENORITY MIXING CORRECTIONS 0 0.5 0.000 2p6.3s 2S 2p6.3s 2S 0 0.5 25739.999 2p6.4s 2S 2p6.4s 2S 0 0.5 33200.673 2p6.5s 2S 2p6.5s 2S 0 0.5 36372.618 2p6.6s 2S 2p6.6s 2S 0 0.5 38012.042 2p6.7s 2S 2p6.7s 2S 0 0.5 38968.51 2p6.8s 2S 2p6.8s 2S 0 0.5 39574.85 2p6.9s 2S 2p6.9s 2S 0 0.5 39983.27 2p6.10s 2S 2p6.10s 2S 0 0.5 40271.396 2p6.11s 2S 2p6.11s 2S 0 0.5 40482.236 2p6.12s 2S 2p6.12s 2S 0 0.5 40641.148R 2p6.13s 2S 2p6.13s 2S 0 0.5 40763.884R 2p6.14s 2S 2p6.14s 2S 0 0.5 267576.0 2p5.3s3p(3P) 4D 3s3p3P 4D 0 0.5 269086.5 2p5.3s3p(3P) 4P 3s3p3P 4P 0 0.5 270582. 2p5.3s3p(3P) 2P 3s3p3P 2P 0 0.5 273236. 2p5.3s3p(3P) 2S 3s3p3P 2S 0 0.5 282332. 2p5.3s3p(1P) 2P 3s3p1P 2P 1 0.5 280778. 2p5.3s3p(1P) 2S 3s3p1P 2S 0 -1.0 0 1.5 29172.887 2p6.3d 2D 2p6.3d 2D 0 1.5 34548.764 2p6.4d 2D 2p6.4d 2D 0 1.5 37036.772 2p6.5d 2D 2p6.5d 2D 0 1.5 38387.268 2p6.6d 2D 2p6.6d 2D 0 1.5 39200.93 2p6.7d 2D 2p6.7d 2D 0 1.5 39728.70 2p6.8d 2D 2p6.8d 2D 0 1.5 40090.31 2p6.9d 2D 2p6.9d 2D 0 1.5 40348.918 2p6.10d 2D 2p6.10d 2D 0 1.5 40540.095R 2p6.11d 2D 2p6.11d 2D 0 1.5 40685.509R 2p6.12d 2D 2p6.12d 2D 0 1.5 40798.644R 2p6.13d 2D 2p6.13d 2D 0 1.5 40888.387R 2p6.14d 2D 2p6.14d 2D 0 1.5 263745.3 2p5.3s3p(3P) 4S 3s3p3P 4S 0 1.5 267282.3 2p5.3s3p(3P) 4D 3s3p3P 4D 0 1.5 268897.4 2p5.3s3p(3P) 4P 3s3p3P 4P 0 1.5 269726. 2p5.3s3p(3P) 2D 3s3p3P 2D 0 1.5 270877. 2p5.3s3p(3P) 2P 3s3p3P 2P 0 1.5 281019. 2p5.3s3p(1P) 2P 3s3p1P 2P 0 1.5 282076. 2p5.3s3p(1P) 2D 3s3p1P 2D 0 -1.0 0 2.5 29172.837 2p6.3d 2D 2p6.3d 2D 0 2.5 34548.729 2p6.4d 2D 2p6.4d 2D 0 2.5 37036.752 2p6.5d 2D 2p6.5d 2D 0 2.5 38387.255 2p6.6d 2D 2p6.6d 2D 0 2.5 39200.93 2p6.7d 2D 2p6.7d 2D 0 2.5 39728.70 2p6.8d 2D 2p6.8d 2D 0 2.5 40090.31 2p6.9d 2D 2p6.9d 2D 0 2.5 40348.915 2p6.10d 2D 2p6.10d 2D 0 2.5 40540.093R 2p6.11d 2D 2p6.11d 2D 0 2.5 40685.509R 2p6.12d 2D 2p6.12d 2D 0 2.5 40798.642R 2p6.13d 2D 2p6.13d 2D 0 2.5 40888.386R 2p6.14d 2D 2p6.14d 2D 0 2.5 266933.9 2p5.3s3p(3P) 4D 3s3p3P 4D 0 2.5 268513.9 2p5.3s3p(3P) 4P 3s3p3P 4P 0 2.5 270196. 2p5.3s3p(3P) 2D 3s3p3P 2D 0 2.5 280596. 2p5.3s3p(1P) 2D 3s3p1P 2D 0 -1.0 0 3.5 37059.54 2p6.5g 2G 2p6.5g 2G 0 3.5 38400.900P 2p6.6g 2G 2p6.6g 2G 0 3.5 39209.725P 2p6.7g 2G 2p6.7g 2G 0 3.5 39734.678P 2p6.8g 2G 2p6.8g 2G 0 3.5 40094.581P 2p6.9g 2G 2p6.9g 2G 0 3.5 40352.015P 2p6.10g 2G 2p6.10g 2G 0 3.5 40542.484P 2p6.11g 2G 2p6.11g 2G 0 3.5 40687.352P 2p6.12g 2G 2p6.12g 2G 0 3.5 40800.091P 2p6.13g 2G 2p6.13g 2G 0 3.5 40889.546P 2p6.14g 2G 2p6.14g 2G 0 3.5 266586.7 2p5.3s3p(3P) 4D 3s3p3P 4D 0 -1.0 0 4.5 37059.54 2p6.5g 2G 2p6.5g 2G 0 4.5 38400.904P 2p6.6g 2G 2p6.6g 2G 0 4.5 39209.725P 2p6.7g 2G 2p6.7g 2G 0 4.5 39734.678P 2p6.8g 2G 2p6.8g 2G 0 4.5 40094.581P 2p6.9g 2G 2p6.9g 2G 0 4.5 40352.015P 2p6.10g 2G 2p6.10g 2G 0 4.5 40542.484P 2p6.11g 2G 2p6.11g 2G 0 4.5 40687.352P 2p6.12g 2G 2p6.12g 2G 0 4.5 40800.091P 2p6.13g 2G 2p6.13g 2G 0 4.5 40889.546P 2p6.14g 2G 2p6.14g 2G 1 4.5 2p5.3p(3D)3d 4G 3p3D3d 4G 1 4.5 2p5.3p(3D)3d 4F 3p3D3d 4F 1 4.5 2p5.3p(3D)3d 4G 3p3D3d 4G 1 4.5 2p5.3p(3D)3d 4G 3p3D3d 4G 1 4.5 2p5.3p(3D)3d 4G 3p3D3d 4G 0 5.5 39209.938P 2p6.7i 2I 2p6.7i 2I 0 5.5 39734.824P 2p6.8i 2I 2p6.8i 2I 0 5.5 40094.685P 2p6.9i 2I 2p6.9i 2I 0 5.5 40352.092P 2p6.10i 2I 2p6.10i 2I 0 5.5 40542.543P 2p6.11i 2I 2p6.11i 2I 0 5.5 40687.397P 2p6.12i 2I 2p6.12i 2I 0 5.5 40800.127P 2p6.13i 2I 2p6.13i 2I 0 5.5 40889.575P 2p6.14i 2I 2p6.14i 2I 1 5.5 2p5.3p(3D)3d 4G 3p3D3d 4G 0 6.5 39209.938P 2p6.7i 2I 2p6.7i 2I 0 6.5 39734.824P 2p6.8i 2I 2p6.8i 2I 0 6.5 40094.685P 2p6.9i 2I 2p6.9i 2I 0 6.5 40352.092P 2p6.10i 2I 2p6.10i 2I 0 6.5 40542.543P 2p6.11i 2I 2p6.11i 2I 0 6.5 40687.397P 2p6.12i 2I 2p6.12i 2I 0 6.5 40800.127P 2p6.13i 2I 2p6.13i 2I 0 6.5 40889.575P 2p6.14i 2I 2p6.14i 2I 241 78.2 48 LEAST SQUARES 1 1 EAV 1948.6 79.0 0.0 1.000 0 1880.0 0 2p6 3s 2 2 EAV 25755.9 78.0 27099.1 1.000 0 0.0 0 2p6 4s 3 3 EAV 33206.3 78.0 34734.9 1.000 0 0.0 0 2p6 5s 4 4 EAV 36375.2 78.0 37958.1 1.000 0 0.0 0 2p6 6s 5 5 EAV 38013.5 78.0 39618.2 1.000 0 0.0 0 2p6 7s 6 6 EAV 38969.4 78.0 40584.3 1.000 0 0.0 0 2p6 8s 7 7 EAV 39575.4 78.0 41195.9 1.000 0 0.0 0 2p6 9s 8 8 EAV 39983.7 78.0 41607.3 1.000 0 0.0 0 2p6 10s 9 9 EAV 40271.7 78.0 41897.2 1.000 0 0.0 0 2p6 11s 10 A EAV 40482.4 78.0 42109.3 1.000 0 0.0 0 2p6 12s 11 B EAV 40641.3 78.0 42269.1 1.000 0 0.0 0 2p6 13s 12 C EAV 40764.0 78.0 42392.5 1.000 0 0.0 0 2p6 14s 13 D EAV 31533.8 56.0 30732.4 1.000 0 0.0 0 2p6 3d 14 D ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 15 E EAV 34549.5 55.0 36141.3 1.000 0 0.0 0 2p6 4d 16 E ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 17 F EAV 37037.2 55.0 38646.2 1.000 0 0.0 0 2p6 5d 18 F ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 19 G EAV 38387.5 55.0 40005.4 1.000 0 0.0 0 2p6 6d 20 G ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 21 H EAV 39201.1 55.0 40823.6 1.000 0 0.0 0 2p6 7d 22 H ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 23 I EAV 39728.8 55.0 41354.0 1.000 0 0.0 0 2p6 8d 24 I ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 25 J EAV 40090.4 55.0 41717.3 1.000 0 0.0 0 2p6 9d 26 J ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 27 K EAV 40349.0 55.0 41976.8 1.000 0 0.0 0 2p6 10d 28 K ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 29 L EAV 40540.1 55.0 42168.7 1.000 0 0.0 0 2p6 11d 30 L ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 31 M EAV 40685.5 55.0 42314.6 1.000 0 0.0 0 2p6 12d 32 M ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 33 N EAV 40798.7 55.0 42428.0 1.000 0 0.0 0 2p6 13d 34 N ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 35 O EAV 40888.4 55.0 42518.0 1.000 0 0.0 0 2p6 14d 36 O ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 37 P EAV 37059.5 55.0 38690.6 1.000 0 0.0 0 2p6 5g 38 P ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 39 Q EAV 38400.9 55.0 40031.9 1.000 0 0.0 0 2p6 6g 40 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 R EAV 39209.7 55.0 40840.5 1.000 0 0.0 0 2p6 7g 42 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 S EAV 39734.7 55.0 41365.6 1.000 0 0.0 0 2p6 8g 44 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 T EAV 40094.6 55.0 41725.3 1.000 0 0.0 0 2p6 9g 46 T ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 U EAV 40352.0 55.0 41982.7 1.000 0 0.0 0 2p6 10g 48 U ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 V EAV 40542.5 55.0 42173.2 1.000 0 0.0 0 2p6 11g 50 V ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 W EAV 40687.4 55.0 42318.1 1.000 0 0.0 0 2p6 12g 52 W ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 X EAV 40800.1 55.0 42430.9 1.000 0 0.0 0 2p6 13g 54 X ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 Y EAV 40889.5 55.0 42520.3 1.000 0 0.0 0 2p6 14g 56 Y ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 Z EAV 39209.9 55.0 40840.7 1.000 0 1630.8 0 2p6 7i 58 Z ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 a EAV 39734.8 55.0 41365.5 1.000 0 1630.8 0 2p6 8i 60 a ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 b EAV 40094.7 55.0 41725.4 1.000 0 1630.8 0 2p6 9i 62 b ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 c EAV 40352.1 55.0 41982.9 1.000 0 1630.8 0 2p6 10i 64 c ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 d EAV 40542.5 55.0 42173.3 1.000 0 1630.8 0 2p6 11i 66 d ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 e EAV 40687.4 55.0 42318.1 1.000 0 1630.8 0 2p6 12i 68 e ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 f EAV 40800.1 55.0 42430.9 1.000 0 1630.8 0 2p6 13i 70 f ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 g EAV 40889.6 55.0 42520.3 1.000 0 1630.8 0 2p6 14i 72 g ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 h EAV 272225.3 19.0 263624.5 1.000 0 9000.0 0 2p5 3s3p 74 h ZETA 1 933.7 0.0 933.7 FIXEDHF 1.000 0 0.0 0 75 h ZETA 3 31.1 0.0 31.1 FIXEDHF 1.000 0 0.0 0 76 h F2(13) 7991.1 110.0 6580.6 0.800 0 0.0 0 77 h G1(12) 3675.8 104.0 5200.4 0.800 0 0.0 0 78 h G0(13) 1840.0 49.0 3880.9 0.800 0 0.0 0 79 h G2(13) 2975.0 228.0 2821.8 0.800 0 0.0 0 80 h G1(23) 21297.2 76.0 29533.1 0.800 0 0.0 0 81 i EAV 326849.0 0.0 317849.0 FIXEDHF 1.000 0 9000.0 0 2p5 3p3d 82 i ZETA 1 937.5 0.0 937.5 FIXEDHF 1.000 0 0.0 0 83 i ZETA 3 49.8 0.0 49.8 FIXEDHF 1.000 0 0.0 0 84 i ZETA 4 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 85 i F2(13) 7763.7 0.0 9704.6 FIXEDHF 0.800 0 0.0 0 86 i F2(14) 693.0 0.0 866.2 FIXEDHF 0.800 0 0.0 0 87 i F2(34) 7824.6 0.0 9780.7 FIXEDHF 0.800 0 0.0 0 88 i G0(13) 4620.2 0.0 5775.2 FIXEDHF 0.800 0 0.0 0 89 i G2(13) 3479.8 0.0 4349.7 FIXEDHF 0.800 0 0.0 0 90 i G1(14) 114.7 0.0 143.4 FIXEDHF 0.800 0 0.0 0 91 i G3(14) 63.7 0.0 79.6 FIXEDHF 0.800 0 0.0 0 92 i G1(34) 7625.9 0.0 9532.4 FIXEDHF 0.800 0 0.0 0 93 i G3(34) 4472.9 0.0 5591.1 FIXEDHF 0.800 0 0.0 0 94 1h 0D1113 2804.6 0.0 3505.7 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3s3p 95 1h 2D1113 11686.5 0.0 14608.1 FIXEDHF 0.800 0 0.0 0 96 1h 1D1223 -3150.9 0.0 -3938.6 FIXEDHF 0.800 0 0.0 0 97 1h 0E1223 -436.9 0.0 -546.1 FIXEDHF 0.800 0 0.0 0 98 1i 2D1234 -935.0 0.0 -1168.7 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3p3d 99 1i 1E1234 -1386.1 0.0 -1732.6 FIXEDHF 0.800 0 0.0 0 100 2h 1D1523 -697.8 0.0 -872.2 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3s3p 101 2h 0E1523 686.8 0.0 858.5 FIXEDHF 0.800 0 0.0 0 102 2i 2D1534 -167.8 0.0 -209.8 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3p3d 103 2i 1E1534 -440.0 0.0 -550.0 FIXEDHF 0.800 0 0.0 0 104 3h 1D1523 -359.8 0.0 -449.8 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3s3p 105 3h 0E1523 410.4 0.0 513.0 FIXEDHF 0.800 0 0.0 0 106 3i 2D1534 -97.7 0.0 -122.1 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3p3d 107 3i 1E1534 -244.0 0.0 -305.0 FIXEDHF 0.800 0 0.0 0 108 4h 1D1523 -230.4 0.0 -288.0 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3s3p 109 4h 0E1523 281.2 0.0 351.5 FIXEDHF 0.800 0 0.0 0 110 4i 2D1534 -64.7 0.0 -80.9 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3p3d 111 4i 1E1534 -161.8 0.0 -202.3 FIXEDHF 0.800 0 0.0 0 112 5h 1D1523 -164.2 0.0 -205.3 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3s3p 113 5h 0E1523 208.2 0.0 260.3 FIXEDHF 0.800 0 0.0 0 114 5i 2D1534 -47.0 0.0 -58.7 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3p3d 115 5i 1E1534 -117.8 0.0 -147.2 FIXEDHF 0.800 0 0.0 0 116 6h 1D1523 -124.8 0.0 -156.0 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3s3p 117 6h 0E1523 162.2 0.0 202.8 FIXEDHF 0.800 0 0.0 0 118 6i 2D1534 -36.1 0.0 -45.1 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3p3d 119 6i 1E1534 -90.7 0.0 -113.4 FIXEDHF 0.800 0 0.0 0 120 7h 1D1523 -99.0 0.0 -123.8 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3s3p 121 7h 0E1523 131.0 0.0 163.8 FIXEDHF 0.800 0 0.0 0 122 7i 2D1534 -28.8 0.0 -36.0 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3p3d 123 7i 1E1534 -72.7 0.0 -90.9 FIXEDHF 0.800 0 0.0 0 124 8h 1D1523 -81.1 0.0 -101.4 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3s3p 125 8h 0E1523 108.6 0.0 135.8 FIXEDHF 0.800 0 0.0 0 126 8i 2D1534 -23.8 0.0 -29.7 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3p3d 127 8i 1E1534 -60.0 0.0 -75.0 FIXEDHF 0.800 0 0.0 0 128 9h 1D1523 -68.0 0.0 -85.0 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3s3p 129 9h 0E1523 92.0 0.0 115.0 FIXEDHF 0.800 0 0.0 0 130 9i 2D1534 -20.0 0.0 -25.0 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3p3d 131 9i 1E1534 -50.6 0.0 -63.2 FIXEDHF 0.800 0 0.0 0 132 Ah 1D1523 -58.1 0.0 -72.6 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3s3p 133 Ah 0E1523 79.2 0.0 99.0 FIXEDHF 0.800 0 0.0 0 134 Ai 2D1534 -17.1 0.0 -21.4 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3p3d 135 Ai 1E1534 -43.4 0.0 -54.3 FIXEDHF 0.800 0 0.0 0 136 Bh 1D1523 -50.3 0.0 -62.9 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3s3p 137 Bh 0E1523 69.1 0.0 86.4 FIXEDHF 0.800 0 0.0 0 138 Bi 2D1534 -14.9 0.0 -18.6 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3p3d 139 Bi 1E1534 -37.8 0.0 -47.2 FIXEDHF 0.800 0 0.0 0 140 Ch 1D1523 -44.2 0.0 -55.2 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3s3p 141 Ch 0E1523 61.0 0.0 76.3 FIXEDHF 0.800 0 0.0 0 142 Ci 2D1534 -13.0 0.0 -16.3 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3p3d 143 Ci 1E1534 -33.3 0.0 -41.6 FIXEDHF 0.800 0 0.0 0 144 Dh 1D1423 -1098.2 0.0 -1372.7 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3s3p 145 Dh 2E1423 -415.6 0.0 -519.5 FIXEDHF 0.800 0 0.0 0 146 Di 0D1113 3376.5 0.0 4220.6 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3p3d 147 Di 2D1113 14110.2 0.0 17637.8 FIXEDHF 0.800 0 0.0 0 148 Di 0D1434 -30.2 0.0 -37.8 FIXEDHF 0.800 0 0.0 0 149 Di 2D1434 -338.0 0.0 -422.5 FIXEDHF 0.800 0 0.0 0 150 Di 1E1434 -348.5 0.0 -435.6 FIXEDHF 0.800 0 0.0 0 151 Di 3E1434 -124.0 0.0 -155.0 FIXEDHF 0.800 0 0.0 0 152 Eh 1D1623 -736.0 0.0 -920.0 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3s3p 153 Eh 2E1623 -306.2 0.0 -382.7 FIXEDHF 0.800 0 0.0 0 154 Ei 0D1634 106.8 0.0 133.5 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3p3d 155 Ei 2D1634 -206.4 0.0 -258.0 FIXEDHF 0.800 0 0.0 0 156 Ei 1E1634 -244.6 0.0 -305.7 FIXEDHF 0.800 0 0.0 0 157 Ei 3E1634 -91.1 0.0 -113.9 FIXEDHF 0.800 0 0.0 0 158 Fh 1D1623 -531.0 0.0 -663.8 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3s3p 159 Fh 2E1623 -229.8 0.0 -287.3 FIXEDHF 0.800 0 0.0 0 160 Fi 0D1634 67.0 0.0 83.7 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3p3d 161 Fi 2D1634 -144.8 0.0 -181.0 FIXEDHF 0.800 0 0.0 0 162 Fi 1E1634 -179.7 0.0 -224.6 FIXEDHF 0.800 0 0.0 0 163 Fi 3E1634 -68.3 0.0 -85.4 FIXEDHF 0.800 0 0.0 0 164 Gh 1D1623 -405.6 0.0 -507.0 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3s3p 165 Gh 2E1623 -179.3 0.0 -224.1 FIXEDHF 0.800 0 0.0 0 166 Gi 0D1634 48.0 0.0 60.0 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3p3d 167 Gi 2D1634 -109.1 0.0 -136.4 FIXEDHF 0.800 0 0.0 0 168 Gi 1E1634 -138.5 0.0 -173.1 FIXEDHF 0.800 0 0.0 0 169 Gi 3E1634 -53.3 0.0 -66.6 FIXEDHF 0.800 0 0.0 0 170 Hh 1D1623 -322.7 0.0 -403.4 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3s3p 171 Hh 2E1623 -144.5 0.0 -180.6 FIXEDHF 0.800 0 0.0 0 172 Hi 0D1634 36.9 0.0 46.1 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3p3d 173 Hi 2D1634 -86.2 0.0 -107.7 FIXEDHF 0.800 0 0.0 0 174 Hi 1E1634 -110.8 0.0 -138.5 FIXEDHF 0.800 0 0.0 0 175 Hi 3E1634 -42.9 0.0 -53.6 FIXEDHF 0.800 0 0.0 0 176 Ih 1D1623 -264.6 0.0 -330.8 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3s3p 177 Ih 2E1623 -119.5 0.0 -149.4 FIXEDHF 0.800 0 0.0 0 178 Ii 0D1634 29.6 0.0 37.0 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3p3d 179 Ii 2D1634 -70.3 0.0 -87.9 FIXEDHF 0.800 0 0.0 0 180 Ii 1E1634 -91.2 0.0 -114.0 FIXEDHF 0.800 0 0.0 0 181 Ii 3E1634 -35.4 0.0 -44.3 FIXEDHF 0.800 0 0.0 0 182 Jh 1D1623 -222.2 0.0 -277.7 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3s3p 183 Jh 2E1623 -100.9 0.0 -126.1 FIXEDHF 0.800 0 0.0 0 184 Ji 0D1634 24.5 0.0 30.6 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3p3d 185 Ji 2D1634 -58.8 0.0 -73.5 FIXEDHF 0.800 0 0.0 0 186 Ji 1E1634 -76.7 0.0 -95.9 FIXEDHF 0.800 0 0.0 0 187 Ji 3E1634 -29.9 0.0 -37.4 FIXEDHF 0.800 0 0.0 0 188 Kh 1D1623 -190.0 0.0 -237.5 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3s3p 189 Kh 2E1623 -86.6 0.0 -108.3 FIXEDHF 0.800 0 0.0 0 190 Ki 0D1634 20.7 0.0 25.9 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3p3d 191 Ki 2D1634 -50.2 0.0 -62.7 FIXEDHF 0.800 0 0.0 0 192 Ki 1E1634 -65.7 0.0 -82.1 FIXEDHF 0.800 0 0.0 0 193 Ki 3E1634 -25.7 0.0 -32.1 FIXEDHF 0.800 0 0.0 0 194 Lh 1D1623 -164.9 0.0 -206.1 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3s3p 195 Lh 2E1623 -75.4 0.0 -94.3 FIXEDHF 0.800 0 0.0 0 196 Li 0D1634 17.8 0.0 22.3 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3p3d 197 Li 2D1634 -43.4 0.0 -54.3 FIXEDHF 0.800 0 0.0 0 198 Li 1E1634 -57.1 0.0 -71.4 FIXEDHF 0.800 0 0.0 0 199 Li 3E1634 -22.4 0.0 -28.0 FIXEDHF 0.800 0 0.0 0 200 Mh 1D1623 -144.9 0.0 -181.1 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3s3p 201 Mh 2E1623 -66.5 0.0 -83.1 FIXEDHF 0.800 0 0.0 0 202 Mi 0D1634 15.6 0.0 19.5 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3p3d 203 Mi 2D1634 -38.2 0.0 -47.7 FIXEDHF 0.800 0 0.0 0 204 Mi 1E1634 -50.2 0.0 -62.8 FIXEDHF 0.800 0 0.0 0 205 Mi 3E1634 -19.7 0.0 -24.6 FIXEDHF 0.800 0 0.0 0 206 Nh 1D1623 -128.6 0.0 -160.8 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3s3p 207 Nh 2E1623 -59.1 0.0 -73.9 FIXEDHF 0.800 0 0.0 0 208 Ni 0D1634 13.8 0.0 17.3 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3p3d 209 Ni 2D1634 -33.8 0.0 -42.3 FIXEDHF 0.800 0 0.0 0 210 Ni 1E1634 -44.6 0.0 -55.8 FIXEDHF 0.800 0 0.0 0 211 Ni 3E1634 -17.5 0.0 -21.9 FIXEDHF 0.800 0 0.0 0 212 Oh 1D1623 -115.2 0.0 -144.0 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3s3p 213 Oh 2E1623 -53.0 0.0 -66.3 FIXEDHF 0.800 0 0.0 0 214 Oi 0D1634 12.3 0.0 15.4 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3p3d 215 Oi 2D1634 -30.2 0.0 -37.8 FIXEDHF 0.800 0 0.0 0 216 Oi 1E1634 -40.0 0.0 -50.0 FIXEDHF 0.800 0 0.0 0 217 Oi 3E1634 -15.8 0.0 -19.7 FIXEDHF 0.800 0 0.0 0 218 Pi 2D1734 -16.4 0.0 -20.5 FIXEDHF 0.800 0 0.0 0 2p6 5g -2p5 3p3d 219 Pi 3E1734 -1.3 0.0 -1.6 FIXEDHF 0.800 0 0.0 0 220 Qi 2D1734 -15.7 0.0 -19.6 FIXEDHF 0.800 0 0.0 0 2p6 6g -2p5 3p3d 221 Qi 3E1734 -1.3 0.0 -1.6 FIXEDHF 0.800 0 0.0 0 222 Ri 2D1734 -13.8 0.0 -17.2 FIXEDHF 0.800 0 0.0 0 2p6 7g -2p5 3p3d 223 Ri 3E1734 -1.2 0.0 -1.5 FIXEDHF 0.800 0 0.0 0 224 Si 2D1734 -11.9 0.0 -14.9 FIXEDHF 0.800 0 0.0 0 2p6 8g -2p5 3p3d 225 Si 3E1734 -1.0 0.0 -1.3 FIXEDHF 0.800 0 0.0 0 226 Ti 2D1734 -10.3 0.0 -12.9 FIXEDHF 0.800 0 0.0 0 2p6 9g -2p5 3p3d 227 Ti 3E1734 -1.0 0.0 -1.2 FIXEDHF 0.800 0 0.0 0 228 Ui 2D1734 -9.0 0.0 -11.3 FIXEDHF 0.800 0 0.0 0 2p6 10g -2p5 3p3d 229 Ui 3E1734 -0.8 0.0 -1.0 FIXEDHF 0.800 0 0.0 0 230 Vi 2D1734 -7.9 0.0 -9.9 FIXEDHF 0.800 0 0.0 0 2p6 11g -2p5 3p3d 231 Vi 3E1734 -0.7 0.0 -0.9 FIXEDHF 0.800 0 0.0 0 232 Wi 2D1734 -7.0 0.0 -8.8 FIXEDHF 0.800 0 0.0 0 2p6 12g -2p5 3p3d 233 Wi 3E1734 -0.6 0.0 -0.8 FIXEDHF 0.800 0 0.0 0 234 Xi 2D1734 -6.3 0.0 -7.9 FIXEDHF 0.800 0 0.0 0 2p6 13g -2p5 3p3d 235 Xi 3E1734 -0.6 0.0 -0.8 FIXEDHF 0.800 0 0.0 0 236 Yi 2D1734 -5.7 0.0 -7.1 FIXEDHF 0.800 0 0.0 0 2p6 14g -2p5 3p3d 237 Yi 3E1734 -0.6 0.0 -0.7 FIXEDHF 0.800 0 0.0 0 238 hi 2D1214 1513.1 0.0 1891.4 FIXEDHF 0.800 0 0.0 0 2p5 3s3p -2p5 3p3d 239 hi 1E1214 -37.9 0.0 -47.4 FIXEDHF 0.800 0 0.0 0 240 hi 1D2334 14285.4 0.0 17856.8 FIXEDHF 0.800 0 0.0 0 241 hi 2E2334 8799.8 0.0 10999.8 FIXEDHF 0.800 0 0.0 0 11.00 J 0.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.000 -0.010 0.0 2.002 2p6.3s 2S 0.996 1(2S)2S 1 0.067 h(3P)2S 18 0.050 h(1P)2S 17 2 25739.999 25740.036 0.0 2.002 2p6.4s 2S -1.000 2(1S)2S 2 3 33200.673 33200.715 0.0 2.002 2p6.5s 2S 1.000 3(1S)2S 3 4 36372.618 36372.597 0.0 2.002 2p6.6s 2S 1.000 4(1S)2S 4 5 38012.042 38012.079 0.0 2.002 2p6.7s 2S -1.000 5(1S)2S 5 6 38968.51 38968.540 0.0 2.002 2p6.8s 2S -1.000 6(1S)2S 6 7 39574.85 39574.841 0.0 2.002 2p6.9s 2S -1.000 7(1S)2S 7 8 39983.27 39983.316 0.0 2.002 2p6.10s 2S -1.000 8(1S)2S 8 9 40271.396 40271.425 0.0 2.002 2p6.11s 2S 1.000 9(1S)2S 9 10 40482.236 40482.197 0.0 2.002 2p6.12s 2S -1.000 A(1S)2S 10 11 40641.148R 40641.146 0.0 2.002 2p6.13s 2S 1.000 B(1S)2S 11 12 40763.884R 40763.880 0.0 2.002 2p6.14s 2S -1.000 C(1S)2S 12 13 267576.0 267495.802 -80.2 0.058 3s3p3P 4D -0.975 h(3P)4D 13 0.140 h(1P)2P 15 0.123 h(3P)4P 14 14 269086.5 269177.833 91.3 2.587 3s3p3P 4P 0.974 h(3P)4P 14 0.141 h(3P)4D 13 -0.126 h(1P)2S 17 15 270582. 270533.351 -48.6 0.685 3s3p3P 2P -0.799 h(1P)2P 15 -0.559 h(3P)2P 16 -0.153 h(3P)4D 13 16 273236. 273244.962 9.0 2.004 3s3p3P 2S -0.980 h(1P)2S 17 -0.136 h(3P)4P 14 -0.101 i(1D)2S 28 17 282332. 282320.424 -11.6 1.043 3s3p1P 2P 0.683 h(3P)2P 16 -0.521 h(3P)2S 18 -0.474 h(1P)2P 15 18 280778. 283590.181 1.627 3s3p1P 2S 0.834 h(3P)2S 18 0.424 h(3P)2P 16 -0.302 h(1P)2P 15 19 321459.928 -0.001 -0.938 i(3S)4D 19 -0.319 i(3P)4D 20 -0.127 i(3D)4D 21 20 324417.677 0.665 -0.705 i(3P)2P 26 -0.555 i(3D)2P 27 0.404 i(1P)2P 24 11.00 J 1.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 29172.887 29172.879 0.0 0.800 2p6.3d 2D 0.996 D(2D)2D 1 -0.085 i(1S)2D 28 2 34548.764 34548.757 0.0 0.800 2p6.4d 2D 1.000 E(1S)2D 2 3 37036.772 37036.808 0.0 0.800 2p6.5d 2D 1.000 F(1S)2D 3 4 38387.268 38387.272 0.0 0.800 2p6.6d 2D -1.000 G(1S)2D 4 5 39200.93 39200.956 0.0 0.800 2p6.7d 2D 1.000 H(1S)2D 5 6 39728.70 39728.703 0.0 0.800 2p6.8d 2D 1.000 I(1S)2D 6 7 40090.31 40090.332 0.0 0.800 2p6.9d 2D -1.000 J(1S)2D 7 8 40348.918 40348.950 0.0 0.800 2p6.10d 2D -1.000 K(1S)2D 8 9 40540.095R 40540.063 0.0 0.800 2p6.11d 2D -1.000 L(1S)2D 9 10 40685.509R 40685.471 0.0 0.800 2p6.12d 2D 1.000 M(1S)2D 10 11 40798.644R 40798.677 0.0 0.800 2p6.13d 2D -1.000 N(1S)2D 11 12 40888.387R 40888.382 0.0 0.800 2p6.14d 2D 1.000 O(1S)2D 12 13 263745.3 263935.281 190.0 1.998 3s3p3P 4S 0.991 h(3P)4S 15 -0.095 h(3P)4P 14 0.075 i(3D)4S 27 14 267282.3 267195.825 -86.5 1.206 3s3p3P 4D -0.961 h(3P)4D 13 0.171 h(3P)4P 14 -0.147 h(1P)2D 16 15 268897.4 268961.516 64.1 1.585 3s3p3P 4P -0.893 h(3P)4P 14 -0.311 h(1P)2D 16 -0.194 h(3P)2D 17 16 269726. 269739.814 13.8 0.944 3s3p3P 2D 0.763 h(1P)2D 16 0.480 h(3P)2D 17 -0.357 h(3P)4P 14 17 270877. 270847.462 -29.5 1.339 3s3p3P 2P -0.786 h(1P)2P 18 -0.558 h(3P)2P 19 0.179 h(3P)4P 14 18 281019. 281125.958 107.0 0.945 3s3p1P 2P 0.709 h(3P)2D 17 -0.449 h(1P)2D 16 -0.415 h(3P)2P 19 19 282076. 282294.212 218.2 1.189 3s3p1P 2D -0.683 h(3P)2P 19 0.484 h(1P)2P 18 -0.435 h(3P)2D 17 20 321522.116 1.195 -0.940 i(3S)4D 22 -0.298 i(3P)4D 23 -0.123 i(3D)4D 24 J 1.5 21 322488.923 0.824 0.795 i(3S)2D 31 -0.476 i(3D)2D 33 0.224 i(1D)2D 30 22 324543.223 0.474 -0.777 i(3D)4F 21 -0.498 i(3P)4F 20 0.194 i(1P)2D 29 23 325202.694 1.288 -0.663 i(3P)2P 36 -0.567 i(3D)2P 37 0.371 i(1P)2P 34 24 325517.606 1.341 -0.738 i(3D)4D 24 0.477 i(3D)4P 26 -0.286 i(3P)4D 23 25 325893.799 1.699 0.620 i(3D)4P 26 -0.602 i(3D)4S 27 0.348 i(3D)4D 24 26 326259.723 0.833 -0.513 i(3D)2D 33 -0.439 i(1D)2D 30 -0.408 i(1P)2D 29 27 326386.319 1.732 -0.700 i(3D)4S 27 -0.485 i(3D)4P 26 -0.240 i(3P)4P 25 28 327112.323 1.312 0.618 i(1D)2P 35 -0.414 i(3P)4P 25 0.368 i(1P)2P 34 29 327169.619 0.818 0.484 i(3P)4D 23 0.426 i(1P)2D 29 -0.413 i(3P)4F 20 30 327416.025 0.664 0.610 i(3P)4F 20 -0.383 i(3D)4F 21 0.376 i(1P)2D 29 11.00 J 2.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 29172.837 29172.825 0.0 1.200 2p6.3d 2D 0.996 D(2D)2D 1 -0.085 i(1S)2D 29 2 34548.729 34548.756 0.0 1.200 2p6.4d 2D 1.000 E(1S)2D 2 3 37036.752 37036.807 0.1 1.200 2p6.5d 2D 1.000 F(1S)2D 3 4 38387.255 38387.271 0.0 1.200 2p6.6d 2D 1.000 G(1S)2D 4 5 39200.93 39200.956 0.0 1.200 2p6.7d 2D 1.000 H(1S)2D 5 6 39728.70 39728.703 0.0 1.200 2p6.8d 2D -1.000 I(1S)2D 6 7 40090.31 40090.332 0.0 1.200 2p6.9d 2D 1.000 J(1S)2D 7 8 40348.915 40348.950 0.0 1.200 2p6.10d 2D 1.000 K(1S)2D 8 9 40540.093R 40540.062 0.0 1.200 2p6.11d 2D 1.000 L(1S)2D 9 10 40685.509R 40685.471 0.0 1.200 2p6.12d 2D -1.000 M(1S)2D 10 11 40798.642R 40798.677 0.0 1.200 2p6.13d 2D 1.000 N(1S)2D 11 12 40888.386R 40888.382 0.0 1.200 2p6.14d 2D -1.000 O(1S)2D 12 13 266933.9 266837.980 -95.9 1.374 3s3p3P 4D 0.970 h(3P)4D 13 -0.164 h(3P)4P 14 0.137 h(1P)2D 15 14 268513.9 268573.623 59.7 1.563 3s3p3P 4P -0.946 h(3P)4P 14 -0.251 h(1P)2D 15 -0.158 h(3P)2D 16 15 270196. 270224.757 28.8 1.237 3s3p3P 2D 0.790 h(1P)2D 15 0.507 h(3P)2D 16 -0.270 h(3P)4P 14 16 280596. 280281.501 -314.5 1.200 3s3p1P 2D 0.827 h(3P)2D 16 -0.532 h(1P)2D 15 -0.108 i(3P)2D 33 17 321629.025 1.366 -0.944 i(3S)4D 20 -0.260 i(3P)4D 21 -0.116 i(3D)4D 22 18 322256.723 1.188 -0.782 i(3S)2D 32 0.491 i(3D)2D 34 -0.239 i(1D)2D 31 19 323754.723 0.664 0.861 i(3D)4G 17 -0.261 i(3D)4F 19 -0.247 i(1P)2F 25 20 324626.233 1.021 0.767 i(3D)4F 19 0.423 i(3P)4F 18 0.283 i(3D)4G 17 J 2.5 21 324719.288 0.850 -0.837 i(3D)2F 28 -0.336 i(1P)2F 25 -0.288 i(3D)4G 17 22 325489.702 1.410 -0.734 i(3D)4D 22 0.499 i(3D)4P 24 -0.240 i(3P)4D 21 23 325581.990 0.878 0.578 i(1D)2F 26 0.509 i(3P)2F 27 0.407 i(1P)2F 25 24 326043.375 1.414 0.706 i(3D)4P 24 0.446 i(3D)4D 22 0.288 i(1D)2D 31 25 326233.177 1.251 -0.472 i(1P)2D 30 -0.442 i(3D)2D 34 0.437 i(3D)4P 24 26 326709.171 0.961 -0.633 i(3P)4F 18 0.490 i(1D)2F 26 -0.423 i(1P)2F 25 27 327179.504 1.305 0.755 i(3P)4D 21 0.408 i(1P)2D 30 -0.257 i(3D)4D 22 28 327609.345 0.983 0.503 i(3P)4F 18 0.494 i(1D)2F 26 -0.443 i(1P)2F 25 29 327906.837 1.400 0.697 i(3P)4P 23 -0.438 i(3D)2D 34 -0.327 i(3S)2D 32 30 328376.615 1.371 -0.543 i(3P)4P 23 -0.420 i(3P)4D 21 0.408 i(1P)2D 30 31 328531.628 1.251 -0.734 i(1D)2D 31 0.392 i(3S)2D 32 0.381 i(3P)4P 23 32 331419.094 0.921 0.678 i(3P)2F 27 -0.381 i(1P)2F 25 0.358 i(3D)2F 28 33 332440.314 1.144 -0.747 i(3P)2D 33 0.438 i(1P)2D 30 -0.302 i(3P)2F 27 34 353123.526 1.200 -0.992 i(1S)2D 29 -0.085 D(2D)2D 1 0.052 i(3D)2D 34 11.00 J 3.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 37059.54 37059.500 0.0 0.889 2p6.5g 2G 1.000 P(1S)2G 1 2 38400.900P 38400.900 0.0 0.889 2p6.6g 2G 1.000 Q(1S)2G 2 3 39209.725P 39209.700 0.0 0.889 2p6.7g 2G -1.000 R(1S)2G 3 4 39734.678P 39734.700 0.0 0.889 2p6.8g 2G 1.000 S(1S)2G 4 5 40094.581P 40094.600 0.0 0.889 2p6.9g 2G -1.000 T(1S)2G 5 6 40352.015P 40352.000 0.0 0.889 2p6.10g 2G -1.000 U(1S)2G 6 7 40542.484P 40542.500 0.0 0.889 2p6.11g 2G 1.000 V(1S)2G 7 8 40687.352P 40687.400 0.0 0.889 2p6.12g 2G 1.000 W(1S)2G 8 9 40800.091P 40800.100 0.0 0.889 2p6.13g 2G -1.000 X(1S)2G 9 10 40889.546P 40889.500 0.0 0.889 2p6.14g 2G 1.000 Y(1S)2G 10 11 266586.7 266472.889 -113.8 1.430 3s3p3P 4D 0.997 h(3P)4D 11 0.047 i(3D)4D 17 -0.042 i(3P)4D 16 12 321794.803 1.423 -0.959 i(3S)4D 15 -0.202 i(3P)4D 16 -0.106 i(3D)4D 17 13 323476.699 1.002 0.879 i(3D)4G 12 0.252 i(1D)2G 18 -0.205 i(3D)4F 14 14 323716.337 1.132 -0.823 i(3D)2F 23 0.359 i(3P)2F 22 -0.304 i(1P)2F 20 15 324262.563 1.075 -0.585 i(3D)4F 14 -0.545 i(1D)2G 18 -0.405 i(3D)2G 19 16 324885.060 1.120 -0.573 i(3D)4F 14 0.438 i(1D)2G 18 0.334 i(3D)2G 19 17 325431.049 1.234 -0.588 i(3D)4D 17 -0.462 i(1D)2F 21 -0.271 i(3P)2F 22 18 325782.490 1.270 -0.667 i(3D)4D 17 0.482 i(1P)2F 20 0.372 i(3P)2F 22 19 326550.153 1.216 0.779 i(3P)4F 13 -0.389 i(3D)4F 14 -0.319 i(1D)2F 21 20 327113.681 1.419 0.928 i(3P)4D 16 -0.280 i(3D)4D 17 -0.130 i(3S)4D 15 J 3.5 21 327861.149 1.176 -0.591 i(1D)2F 21 0.531 i(1P)2F 20 -0.359 i(3P)4F 13 22 330407.299 0.975 0.647 i(3D)2G 19 -0.494 i(1D)2G 18 -0.437 i(3P)2F 22 23 331675.925 1.057 0.611 i(3P)2F 22 0.471 i(3D)2G 19 -0.340 i(1D)2G 18 11.00 J 4.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 37059.54 37059.500 0.0 1.111 2p6.5g 2G 1.000 P(1S)2G 1 2 38400.904P 38400.900 0.0 1.111 2p6.6g 2G 1.000 Q(1S)2G 2 3 39209.725P 39209.700 0.0 1.111 2p6.7g 2G -1.000 R(1S)2G 3 4 39734.678P 39734.700 0.0 1.111 2p6.8g 2G 1.000 S(1S)2G 4 5 40094.581P 40094.600 0.0 1.111 2p6.9g 2G 1.000 T(1S)2G 5 6 40352.015P 40352.000 0.0 1.111 2p6.10g 2G -1.000 U(1S)2G 6 7 40542.484P 40542.500 0.0 1.111 2p6.11g 2G 1.000 V(1S)2G 7 8 40687.352P 40687.400 0.0 1.111 2p6.12g 2G -1.000 W(1S)2G 8 9 40800.091P 40800.100 0.0 1.111 2p6.13g 2G -1.000 X(1S)2G 9 10 40889.546P 40889.500 0.0 1.111 2p6.14g 2G 1.000 Y(1S)2G 10 11 323271.093 1.174 3p3D3d 4G -0.947 i(3D)4G 11 -0.208 i(1D)2G 14 0.151 i(3D)4F 13 12 324158.794 1.272 3p3D3d 4F 0.736 i(3D)4F 13 0.424 i(3P)4F 12 0.420 i(1D)2G 14 13 325272.231 1.180 3p3D3d 4G -0.613 i(1D)2G 14 0.531 i(3D)4F 13 -0.500 i(3D)2G 15 14 326436.181 1.325 3p3D3d 4G 0.896 i(3P)4F 12 -0.393 i(3D)4F 13 -0.136 i(1D)2G 14 15 329797.263 1.111 3p3D3d 4G 0.783 i(3D)2G 15 -0.621 i(1D)2G 14 11.00 J 5.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 39209.938P 39209.900 0.0 0.923 2p6.7i 2I 1.000 Z(1S)2I 1 2 39734.824P 39734.800 0.0 0.923 2p6.8i 2I 1.000 a(1S)2I 2 3 40094.685P 40094.700 0.0 0.923 2p6.9i 2I 1.000 b(1S)2I 3 4 40352.092P 40352.100 0.0 0.923 2p6.10i 2I 1.000 c(1S)2I 4 5 40542.543P 40542.500 0.0 0.923 2p6.11i 2I 1.000 d(1S)2I 5 6 40687.397P 40687.400 0.0 0.923 2p6.12i 2I 1.000 e(1S)2I 6 7 40800.127P 40800.100 0.0 0.923 2p6.13i 2I 1.000 f(1S)2I 7 8 40889.575P 40889.600 0.0 0.923 2p6.14i 2I 1.000 g(1S)2I 8 9 323084.786 1.273 3p3D3d 4G 1.000 i(3D)4G 9 11.00 J 6.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 39209.938P 39209.900 0.0 1.077 2p6.7i 2I 1.000 Z(1S)2I 1 2 39734.824P 39734.800 0.0 1.077 2p6.8i 2I 1.000 a(1S)2I 2 3 40094.685P 40094.700 0.0 1.077 2p6.9i 2I 1.000 b(1S)2I 3 4 40352.092P 40352.100 0.0 1.077 2p6.10i 2I 1.000 c(1S)2I 4 5 40542.543P 40542.500 0.0 1.077 2p6.11i 2I 1.000 d(1S)2I 5 6 40687.397P 40687.400 0.0 1.077 2p6.12i 2I 1.000 e(1S)2I 6 7 40800.127P 40800.100 0.0 1.077 2p6.13i 2I 1.000 f(1S)2I 7 8 40889.575P 40889.600 0.0 1.077 2p6.14i 2I 1.000 g(1S)2I 8 11.00 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 2p6 3s 1 1 EAV 1948.6 78.7 0.0 1948.6 0.0 0.000 1.000 0 1880.0 0 2p6 4s 2 2 EAV 25755.9 78.2 0.0 25755.9 27099.1 0.000 1.000 0 0.0 0 2p6 5s 3 3 EAV 33206.3 78.2 0.0 33206.3 34734.9 0.000 1.000 0 0.0 0 2p6 6s 4 4 EAV 36375.2 78.2 0.0 36375.2 37958.1 0.000 1.000 0 0.0 0 2p6 7s 5 5 EAV 38013.5 78.2 0.0 38013.5 39618.2 0.000 1.000 0 0.0 0 2p6 8s 6 6 EAV 38969.4 78.2 0.0 38969.4 40584.3 0.000 1.000 0 0.0 0 2p6 9s 7 7 EAV 39575.4 78.2 0.0 39575.4 41195.9 0.000 1.000 0 0.0 0 2p6 10s 8 8 EAV 39983.7 78.2 0.0 39983.7 41607.3 0.000 1.000 0 0.0 0 2p6 11s 9 9 EAV 40271.7 78.2 0.0 40271.7 41897.2 0.000 1.000 0 0.0 0 2p6 12s 10 A EAV 40482.4 78.2 0.0 40482.4 42109.3 0.000 1.000 0 0.0 0 2p6 13s 11 B EAV 40641.3 78.2 0.0 40641.3 42269.1 0.000 1.000 0 0.0 0 2p6 14s 12 C EAV 40764.0 78.2 0.0 40764.0 42392.5 0.000 1.000 0 0.0 0 2p6 3d 13 D EAV 31533.8 55.7 0.0 31533.8 30732.4 0.000 1.000 0 0.0 0 14 D ZETA 4 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 4d 15 E EAV 34549.5 55.3 0.0 34549.5 36141.3 0.000 1.000 0 0.0 0 16 E ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 5d 17 F EAV 37037.2 55.3 0.0 37037.2 38646.2 0.000 1.000 0 0.0 0 18 F ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 6d 19 G EAV 38387.5 55.3 0.0 38387.5 40005.4 0.000 1.000 0 0.0 0 20 G ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 7d 21 H EAV 39201.1 55.3 0.0 39201.1 40823.6 0.000 1.000 0 0.0 0 22 H ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8d 23 I EAV 39728.8 55.3 0.0 39728.8 41354.0 0.000 1.000 0 0.0 0 24 I ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9d 25 J EAV 40090.4 55.3 0.0 40090.4 41717.3 0.000 1.000 0 0.0 0 26 J ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10d 27 K EAV 40349.0 55.3 0.0 40349.0 41976.8 0.000 1.000 0 0.0 0 28 K ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11d 29 L EAV 40540.1 55.3 0.0 40540.1 42168.7 0.000 1.000 0 0.0 0 30 L ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12d 31 M EAV 40685.5 55.3 0.0 40685.5 42314.6 0.000 1.000 0 0.0 0 32 M ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13d 33 N EAV 40798.7 55.3 0.0 40798.7 42428.0 0.000 1.000 0 0.0 0 34 N ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14d 35 O EAV 40888.4 55.3 0.0 40888.4 42518.0 0.000 1.000 0 0.0 0 36 O ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 5g 37 P EAV 37059.5 55.3 0.0 37059.5 38690.6 0.000 1.000 0 0.0 0 38 P ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 6g 39 Q EAV 38400.9 55.3 0.0 38400.9 40031.9 0.000 1.000 0 0.0 0 40 Q ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 7g 41 R EAV 39209.7 55.3 0.0 39209.7 40840.5 0.000 1.000 0 0.0 0 42 R ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8g 43 S EAV 39734.7 55.3 0.0 39734.7 41365.6 0.000 1.000 0 0.0 0 44 S ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9g 45 T EAV 40094.6 55.3 0.0 40094.6 41725.3 0.000 1.000 0 0.0 0 46 T ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10g 47 U EAV 40352.0 55.3 0.0 40352.0 41982.7 0.000 1.000 0 0.0 0 48 U ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11g 49 V EAV 40542.5 55.3 0.0 40542.5 42173.2 0.000 1.000 0 0.0 0 50 V ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12g 51 W EAV 40687.4 55.3 0.0 40687.4 42318.1 0.000 1.000 0 0.0 0 52 W ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13g 53 X EAV 40800.1 55.3 0.0 40800.1 42430.9 0.000 1.000 0 0.0 0 54 X ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14g 55 Y EAV 40889.5 55.3 0.0 40889.5 42520.3 0.000 1.000 0 0.0 0 56 Y ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 7i 57 Z EAV 39209.9 55.3 0.0 39209.9 40840.7 0.000 1.000 0 1630.8 0 58 Z ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8i 59 a EAV 39734.8 55.3 0.0 39734.8 41365.5 0.000 1.000 0 1630.8 0 60 a ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9i 61 b EAV 40094.7 55.3 0.0 40094.7 41725.4 0.000 1.000 0 1630.8 0 62 b ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10i 63 c EAV 40352.1 55.3 0.0 40352.1 41982.9 0.000 1.000 0 1630.8 0 64 c ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11i 65 d EAV 40542.5 55.3 0.0 40542.5 42173.3 0.000 1.000 0 1630.8 0 66 d ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12i 67 e EAV 40687.4 55.3 0.0 40687.4 42318.1 0.000 1.000 0 1630.8 0 68 e ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13i 69 f EAV 40800.1 55.3 0.0 40800.1 42430.9 0.000 1.000 0 1630.8 0 70 f ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14i 71 g EAV 40889.6 55.3 0.0 40889.6 42520.3 0.000 1.000 0 1630.8 0 72 g ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p5 3s3p 73 h EAV 272225.3 19.2 0.0 272225.3 263624.5 0.000 1.000 0 9000.0 0 74 h ZETA 1 933.7 0.0 0.0 933.7 933.7 1.000 FIXEDHF 1.000 0 0.0 0 75 h ZETA 3 31.1 0.0 0.0 31.1 31.1 1.000 FIXEDHF 1.000 0 0.0 0 76 h F2(13) 7991.1 110.4 0.0 7991.1 6580.6 1.214 0.800 0 0.0 0 77 h G1(12) 3675.8 104.4 0.0 3675.8 5200.4 0.707 0.800 0 0.0 0 78 h G0(13) 1840.0 49.5 0.0 1840.0 3880.9 0.474 0.800 0 0.0 0 79 h G2(13) 2975.0 228.2 0.0 2975.0 2821.8 1.054 0.800 0 0.0 0 80 h G1(23) 21297.2 75.9 0.0 21297.2 29533.1 0.721 0.800 0 0.0 0 2p5 3p3d 81 i EAV 326849.0 0.0 0.0 326849.0 317849.0 0.000 FIXEDHF 1.000 0 9000.0 0 82 i ZETA 1 937.5 0.0 0.0 937.5 937.5 1.000 FIXEDHF 1.000 0 0.0 0 83 i ZETA 3 49.8 0.0 0.0 49.8 49.8 1.000 FIXEDHF 1.000 0 0.0 0 84 i ZETA 4 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 85 i F2(13) 7763.7 0.0 0.0 7763.7 9704.6 0.800 FIXEDHF 0.800 0 0.0 0 86 i F2(14) 693.0 0.0 0.0 693.0 866.2 0.800 FIXEDHF 0.800 0 0.0 0 87 i F2(34) 7824.6 0.0 0.0 7824.6 9780.7 0.800 FIXEDHF 0.800 0 0.0 0 88 i G0(13) 4620.2 0.0 0.0 4620.2 5775.2 0.800 FIXEDHF 0.800 0 0.0 0 89 i G2(13) 3479.8 0.0 0.0 3479.8 4349.7 0.800 FIXEDHF 0.800 0 0.0 0 90 i G1(14) 114.7 0.0 0.0 114.7 143.4 0.800 FIXEDHF 0.800 0 0.0 0 91 i G3(14) 63.7 0.0 0.0 63.7 79.6 0.800 FIXEDHF 0.800 0 0.0 0 92 i G1(34) 7625.9 0.0 0.0 7625.9 9532.4 0.800 FIXEDHF 0.800 0 0.0 0 93 i G3(34) 4472.9 0.0 0.0 4472.9 5591.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3s3p 94 1h 0D1113 2804.6 0.0 0.0 2804.6 3505.7 0.800 FIXEDHF 0.800 0 0.0 0 95 1h 2D1113 11686.5 0.0 0.0 11686.5 14608.1 0.800 FIXEDHF 0.800 0 0.0 0 96 1h 1D1223 -3150.9 0.0 0.0 -3150.9 -3938.6 0.800 FIXEDHF 0.800 0 0.0 0 97 1h 0E1223 -436.9 0.0 0.0 -436.9 -546.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3p3d 98 1i 2D1234 -935.0 0.0 0.0 -935.0 -1168.7 0.800 FIXEDHF 0.800 0 0.0 0 99 1i 1E1234 -1386.1 0.0 0.0 -1386.1 -1732.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3s3p 100 2h 1D1523 -697.8 0.0 0.0 -697.8 -872.2 0.800 FIXEDHF 0.800 0 0.0 0 101 2h 0E1523 686.8 0.0 0.0 686.8 858.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3p3d 102 2i 2D1534 -167.8 0.0 0.0 -167.8 -209.8 0.800 FIXEDHF 0.800 0 0.0 0 103 2i 1E1534 -440.0 0.0 0.0 -440.0 -550.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3s3p 104 3h 1D1523 -359.8 0.0 0.0 -359.8 -449.8 0.800 FIXEDHF 0.800 0 0.0 0 105 3h 0E1523 410.4 0.0 0.0 410.4 513.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3p3d 106 3i 2D1534 -97.7 0.0 0.0 -97.7 -122.1 0.800 FIXEDHF 0.800 0 0.0 0 107 3i 1E1534 -244.0 0.0 0.0 -244.0 -305.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3s3p 108 4h 1D1523 -230.4 0.0 0.0 -230.4 -288.0 0.800 FIXEDHF 0.800 0 0.0 0 109 4h 0E1523 281.2 0.0 0.0 281.2 351.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3p3d 110 4i 2D1534 -64.7 0.0 0.0 -64.7 -80.9 0.800 FIXEDHF 0.800 0 0.0 0 111 4i 1E1534 -161.8 0.0 0.0 -161.8 -202.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3s3p 112 5h 1D1523 -164.2 0.0 0.0 -164.2 -205.3 0.800 FIXEDHF 0.800 0 0.0 0 113 5h 0E1523 208.2 0.0 0.0 208.2 260.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3p3d 114 5i 2D1534 -47.0 0.0 0.0 -47.0 -58.7 0.800 FIXEDHF 0.800 0 0.0 0 115 5i 1E1534 -117.8 0.0 0.0 -117.8 -147.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3s3p 116 6h 1D1523 -124.8 0.0 0.0 -124.8 -156.0 0.800 FIXEDHF 0.800 0 0.0 0 117 6h 0E1523 162.2 0.0 0.0 162.2 202.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3p3d 118 6i 2D1534 -36.1 0.0 0.0 -36.1 -45.1 0.800 FIXEDHF 0.800 0 0.0 0 119 6i 1E1534 -90.7 0.0 0.0 -90.7 -113.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3s3p 120 7h 1D1523 -99.0 0.0 0.0 -99.0 -123.8 0.800 FIXEDHF 0.800 0 0.0 0 121 7h 0E1523 131.0 0.0 0.0 131.0 163.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3p3d 122 7i 2D1534 -28.8 0.0 0.0 -28.8 -36.0 0.800 FIXEDHF 0.800 0 0.0 0 123 7i 1E1534 -72.7 0.0 0.0 -72.7 -90.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3s3p 124 8h 1D1523 -81.1 0.0 0.0 -81.1 -101.4 0.800 FIXEDHF 0.800 0 0.0 0 125 8h 0E1523 108.6 0.0 0.0 108.6 135.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3p3d 126 8i 2D1534 -23.8 0.0 0.0 -23.8 -29.7 0.800 FIXEDHF 0.800 0 0.0 0 127 8i 1E1534 -60.0 0.0 0.0 -60.0 -75.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3s3p 128 9h 1D1523 -68.0 0.0 0.0 -68.0 -85.0 0.800 FIXEDHF 0.800 0 0.0 0 129 9h 0E1523 92.0 0.0 0.0 92.0 115.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3p3d 130 9i 2D1534 -20.0 0.0 0.0 -20.0 -25.0 0.800 FIXEDHF 0.800 0 0.0 0 131 9i 1E1534 -50.6 0.0 0.0 -50.6 -63.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3s3p 132 Ah 1D1523 -58.1 0.0 0.0 -58.1 -72.6 0.800 FIXEDHF 0.800 0 0.0 0 133 Ah 0E1523 79.2 0.0 0.0 79.2 99.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3p3d 134 Ai 2D1534 -17.1 0.0 0.0 -17.1 -21.4 0.800 FIXEDHF 0.800 0 0.0 0 135 Ai 1E1534 -43.4 0.0 0.0 -43.4 -54.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3s3p 136 Bh 1D1523 -50.3 0.0 0.0 -50.3 -62.9 0.800 FIXEDHF 0.800 0 0.0 0 137 Bh 0E1523 69.1 0.0 0.0 69.1 86.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3p3d 138 Bi 2D1534 -14.9 0.0 0.0 -14.9 -18.6 0.800 FIXEDHF 0.800 0 0.0 0 139 Bi 1E1534 -37.8 0.0 0.0 -37.8 -47.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3s3p 140 Ch 1D1523 -44.2 0.0 0.0 -44.2 -55.2 0.800 FIXEDHF 0.800 0 0.0 0 141 Ch 0E1523 61.0 0.0 0.0 61.0 76.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3p3d 142 Ci 2D1534 -13.0 0.0 0.0 -13.0 -16.3 0.800 FIXEDHF 0.800 0 0.0 0 143 Ci 1E1534 -33.3 0.0 0.0 -33.3 -41.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3s3p 144 Dh 1D1423 -1098.2 0.0 0.0 -1098.2 -1372.7 0.800 FIXEDHF 0.800 0 0.0 0 145 Dh 2E1423 -415.6 0.0 0.0 -415.6 -519.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3p3d 146 Di 0D1113 3376.5 0.0 0.0 3376.5 4220.6 0.800 FIXEDHF 0.800 0 0.0 0 147 Di 2D1113 14110.2 0.0 0.0 14110.2 17637.8 0.800 FIXEDHF 0.800 0 0.0 0 148 Di 0D1434 -30.2 0.0 0.0 -30.2 -37.8 0.800 FIXEDHF 0.800 0 0.0 0 149 Di 2D1434 -338.0 0.0 0.0 -338.0 -422.5 0.800 FIXEDHF 0.800 0 0.0 0 150 Di 1E1434 -348.5 0.0 0.0 -348.5 -435.6 0.800 FIXEDHF 0.800 0 0.0 0 151 Di 3E1434 -124.0 0.0 0.0 -124.0 -155.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3s3p 152 Eh 1D1623 -736.0 0.0 0.0 -736.0 -920.0 0.800 FIXEDHF 0.800 0 0.0 0 153 Eh 2E1623 -306.2 0.0 0.0 -306.2 -382.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3p3d 154 Ei 0D1634 106.8 0.0 0.0 106.8 133.5 0.800 FIXEDHF 0.800 0 0.0 0 155 Ei 2D1634 -206.4 0.0 0.0 -206.4 -258.0 0.800 FIXEDHF 0.800 0 0.0 0 156 Ei 1E1634 -244.6 0.0 0.0 -244.6 -305.7 0.800 FIXEDHF 0.800 0 0.0 0 157 Ei 3E1634 -91.1 0.0 0.0 -91.1 -113.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3s3p 158 Fh 1D1623 -531.0 0.0 0.0 -531.0 -663.8 0.800 FIXEDHF 0.800 0 0.0 0 159 Fh 2E1623 -229.8 0.0 0.0 -229.8 -287.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3p3d 160 Fi 0D1634 67.0 0.0 0.0 67.0 83.7 0.800 FIXEDHF 0.800 0 0.0 0 161 Fi 2D1634 -144.8 0.0 0.0 -144.8 -181.0 0.800 FIXEDHF 0.800 0 0.0 0 162 Fi 1E1634 -179.7 0.0 0.0 -179.7 -224.6 0.800 FIXEDHF 0.800 0 0.0 0 163 Fi 3E1634 -68.3 0.0 0.0 -68.3 -85.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3s3p 164 Gh 1D1623 -405.6 0.0 0.0 -405.6 -507.0 0.800 FIXEDHF 0.800 0 0.0 0 165 Gh 2E1623 -179.3 0.0 0.0 -179.3 -224.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3p3d 166 Gi 0D1634 48.0 0.0 0.0 48.0 60.0 0.800 FIXEDHF 0.800 0 0.0 0 167 Gi 2D1634 -109.1 0.0 0.0 -109.1 -136.4 0.800 FIXEDHF 0.800 0 0.0 0 168 Gi 1E1634 -138.5 0.0 0.0 -138.5 -173.1 0.800 FIXEDHF 0.800 0 0.0 0 169 Gi 3E1634 -53.3 0.0 0.0 -53.3 -66.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3s3p 170 Hh 1D1623 -322.7 0.0 0.0 -322.7 -403.4 0.800 FIXEDHF 0.800 0 0.0 0 171 Hh 2E1623 -144.5 0.0 0.0 -144.5 -180.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3p3d 172 Hi 0D1634 36.9 0.0 0.0 36.9 46.1 0.800 FIXEDHF 0.800 0 0.0 0 173 Hi 2D1634 -86.2 0.0 0.0 -86.2 -107.7 0.800 FIXEDHF 0.800 0 0.0 0 174 Hi 1E1634 -110.8 0.0 0.0 -110.8 -138.5 0.800 FIXEDHF 0.800 0 0.0 0 175 Hi 3E1634 -42.9 0.0 0.0 -42.9 -53.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3s3p 176 Ih 1D1623 -264.6 0.0 0.0 -264.6 -330.8 0.800 FIXEDHF 0.800 0 0.0 0 177 Ih 2E1623 -119.5 0.0 0.0 -119.5 -149.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3p3d 178 Ii 0D1634 29.6 0.0 0.0 29.6 37.0 0.800 FIXEDHF 0.800 0 0.0 0 179 Ii 2D1634 -70.3 0.0 0.0 -70.3 -87.9 0.800 FIXEDHF 0.800 0 0.0 0 180 Ii 1E1634 -91.2 0.0 0.0 -91.2 -114.0 0.800 FIXEDHF 0.800 0 0.0 0 181 Ii 3E1634 -35.4 0.0 0.0 -35.4 -44.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3s3p 182 Jh 1D1623 -222.2 0.0 0.0 -222.2 -277.7 0.800 FIXEDHF 0.800 0 0.0 0 183 Jh 2E1623 -100.9 0.0 0.0 -100.9 -126.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3p3d 184 Ji 0D1634 24.5 0.0 0.0 24.5 30.6 0.800 FIXEDHF 0.800 0 0.0 0 185 Ji 2D1634 -58.8 0.0 0.0 -58.8 -73.5 0.800 FIXEDHF 0.800 0 0.0 0 186 Ji 1E1634 -76.7 0.0 0.0 -76.7 -95.9 0.800 FIXEDHF 0.800 0 0.0 0 187 Ji 3E1634 -29.9 0.0 0.0 -29.9 -37.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3s3p 188 Kh 1D1623 -190.0 0.0 0.0 -190.0 -237.5 0.800 FIXEDHF 0.800 0 0.0 0 189 Kh 2E1623 -86.6 0.0 0.0 -86.6 -108.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3p3d 190 Ki 0D1634 20.7 0.0 0.0 20.7 25.9 0.800 FIXEDHF 0.800 0 0.0 0 191 Ki 2D1634 -50.2 0.0 0.0 -50.2 -62.7 0.800 FIXEDHF 0.800 0 0.0 0 192 Ki 1E1634 -65.7 0.0 0.0 -65.7 -82.1 0.800 FIXEDHF 0.800 0 0.0 0 193 Ki 3E1634 -25.7 0.0 0.0 -25.7 -32.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3s3p 194 Lh 1D1623 -164.9 0.0 0.0 -164.9 -206.1 0.800 FIXEDHF 0.800 0 0.0 0 195 Lh 2E1623 -75.4 0.0 0.0 -75.4 -94.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3p3d 196 Li 0D1634 17.8 0.0 0.0 17.8 22.3 0.800 FIXEDHF 0.800 0 0.0 0 197 Li 2D1634 -43.4 0.0 0.0 -43.4 -54.3 0.800 FIXEDHF 0.800 0 0.0 0 198 Li 1E1634 -57.1 0.0 0.0 -57.1 -71.4 0.800 FIXEDHF 0.800 0 0.0 0 199 Li 3E1634 -22.4 0.0 0.0 -22.4 -28.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3s3p 200 Mh 1D1623 -144.9 0.0 0.0 -144.9 -181.1 0.800 FIXEDHF 0.800 0 0.0 0 201 Mh 2E1623 -66.5 0.0 0.0 -66.5 -83.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3p3d 202 Mi 0D1634 15.6 0.0 0.0 15.6 19.5 0.800 FIXEDHF 0.800 0 0.0 0 203 Mi 2D1634 -38.2 0.0 0.0 -38.2 -47.7 0.800 FIXEDHF 0.800 0 0.0 0 204 Mi 1E1634 -50.2 0.0 0.0 -50.2 -62.8 0.800 FIXEDHF 0.800 0 0.0 0 205 Mi 3E1634 -19.7 0.0 0.0 -19.7 -24.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3s3p 206 Nh 1D1623 -128.6 0.0 0.0 -128.6 -160.8 0.800 FIXEDHF 0.800 0 0.0 0 207 Nh 2E1623 -59.1 0.0 0.0 -59.1 -73.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3p3d 208 Ni 0D1634 13.8 0.0 0.0 13.8 17.3 0.800 FIXEDHF 0.800 0 0.0 0 209 Ni 2D1634 -33.8 0.0 0.0 -33.8 -42.3 0.800 FIXEDHF 0.800 0 0.0 0 210 Ni 1E1634 -44.6 0.0 0.0 -44.6 -55.8 0.800 FIXEDHF 0.800 0 0.0 0 211 Ni 3E1634 -17.5 0.0 0.0 -17.5 -21.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3s3p 212 Oh 1D1623 -115.2 0.0 0.0 -115.2 -144.0 0.800 FIXEDHF 0.800 0 0.0 0 213 Oh 2E1623 -53.0 0.0 0.0 -53.0 -66.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3p3d 214 Oi 0D1634 12.3 0.0 0.0 12.3 15.4 0.800 FIXEDHF 0.800 0 0.0 0 215 Oi 2D1634 -30.2 0.0 0.0 -30.2 -37.8 0.800 FIXEDHF 0.800 0 0.0 0 216 Oi 1E1634 -40.0 0.0 0.0 -40.0 -50.0 0.800 FIXEDHF 0.800 0 0.0 0 217 Oi 3E1634 -15.8 0.0 0.0 -15.8 -19.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5g -2p5 3p3d 218 Pi 2D1734 -16.4 0.0 0.0 -16.4 -20.5 0.800 FIXEDHF 0.800 0 0.0 0 219 Pi 3E1734 -1.3 0.0 0.0 -1.3 -1.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6g -2p5 3p3d 220 Qi 2D1734 -15.7 0.0 0.0 -15.7 -19.6 0.800 FIXEDHF 0.800 0 0.0 0 221 Qi 3E1734 -1.3 0.0 0.0 -1.3 -1.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7g -2p5 3p3d 222 Ri 2D1734 -13.8 0.0 0.0 -13.8 -17.2 0.800 FIXEDHF 0.800 0 0.0 0 223 Ri 3E1734 -1.2 0.0 0.0 -1.2 -1.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8g -2p5 3p3d 224 Si 2D1734 -11.9 0.0 0.0 -11.9 -14.9 0.800 FIXEDHF 0.800 0 0.0 0 225 Si 3E1734 -1.0 0.0 0.0 -1.0 -1.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9g -2p5 3p3d 226 Ti 2D1734 -10.3 0.0 0.0 -10.3 -12.9 0.800 FIXEDHF 0.800 0 0.0 0 227 Ti 3E1734 -1.0 0.0 0.0 -1.0 -1.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10g -2p5 3p3d 228 Ui 2D1734 -9.0 0.0 0.0 -9.0 -11.3 0.800 FIXEDHF 0.800 0 0.0 0 229 Ui 3E1734 -0.8 0.0 0.0 -0.8 -1.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11g -2p5 3p3d 230 Vi 2D1734 -7.9 0.0 0.0 -7.9 -9.9 0.800 FIXEDHF 0.800 0 0.0 0 231 Vi 3E1734 -0.7 0.0 0.0 -0.7 -0.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12g -2p5 3p3d 232 Wi 2D1734 -7.0 0.0 0.0 -7.0 -8.8 0.800 FIXEDHF 0.800 0 0.0 0 233 Wi 3E1734 -0.6 0.0 0.0 -0.6 -0.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13g -2p5 3p3d 234 Xi 2D1734 -6.3 0.0 0.0 -6.3 -7.9 0.800 FIXEDHF 0.800 0 0.0 0 235 Xi 3E1734 -0.6 0.0 0.0 -0.6 -0.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14g -2p5 3p3d 236 Yi 2D1734 -5.7 0.0 0.0 -5.7 -7.1 0.800 FIXEDHF 0.800 0 0.0 0 237 Yi 3E1734 -0.6 0.0 0.0 -0.6 -0.7 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s3p -2p5 3p3d 238 hi 2D1214 1513.1 0.0 0.0 1513.1 1891.4 0.800 FIXEDHF 0.800 0 0.0 0 239 hi 1E1214 -37.9 0.0 0.0 -37.9 -47.4 0.800 FIXEDHF 0.800 0 0.0 0 240 hi 1D2334 14285.4 0.0 0.0 14285.4 17856.8 0.800 FIXEDHF 0.800 0 0.0 0 241 hi 2E2334 8799.8 0.0 0.0 8799.8 10999.8 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 78.2 48 FREE ITERATION 1 11.00 J 0.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0.000 -0.009 0.0 2.002 2p6.3s 2S 0.996 1(2S)2S 1 0.067 h(3P)2S 18 0.050 h(1P)2S 17 2 25739.999 25739.999 0.0 2.002 2p6.4s 2S -1.000 2(1S)2S 2 3 33200.673 33200.673 0.0 2.002 2p6.5s 2S 1.000 3(1S)2S 3 4 36372.618 36372.618 0.0 2.002 2p6.6s 2S 1.000 4(1S)2S 4 5 38012.042 38012.042 0.0 2.002 2p6.7s 2S -1.000 5(1S)2S 5 6 38968.51 38968.510 0.0 2.002 2p6.8s 2S -1.000 6(1S)2S 6 7 39574.85 39574.850 0.0 2.002 2p6.9s 2S -1.000 7(1S)2S 7 8 39983.27 39983.270 0.0 2.002 2p6.10s 2S -1.000 8(1S)2S 8 9 40271.396 40271.396 0.0 2.002 2p6.11s 2S 1.000 9(1S)2S 9 10 40482.236 40482.236 0.0 2.002 2p6.12s 2S -1.000 A(1S)2S 10 11 40641.148R 40641.148 0.0 2.002 2p6.13s 2S 1.000 B(1S)2S 11 12 40763.884R 40763.884 0.0 2.002 2p6.14s 2S -1.000 C(1S)2S 12 13 267576.0 267495.769 -80.2 0.058 3s3p3P 4D -0.975 h(3P)4D 13 0.140 h(1P)2P 15 0.123 h(3P)4P 14 14 269086.5 269177.811 91.3 2.587 3s3p3P 4P 0.974 h(3P)4P 14 0.141 h(3P)4D 13 -0.126 h(1P)2S 17 15 270582. 270533.339 -48.7 0.685 3s3p3P 2P -0.799 h(1P)2P 15 -0.559 h(3P)2P 16 -0.153 h(3P)4D 13 16 273236. 273244.966 9.0 2.004 3s3p3P 2S -0.980 h(1P)2S 17 -0.136 h(3P)4P 14 -0.101 i(1D)2S 28 17 282332. 282320.435 -11.6 1.043 3s3p1P 2P 0.683 h(3P)2P 16 -0.521 h(3P)2S 18 -0.474 h(1P)2P 15 18 280778. 283590.222 1.627 3s3p1P 2S 0.834 h(3P)2S 18 0.424 h(3P)2P 16 -0.302 h(1P)2P 15 19 321459.928 -0.001 -0.938 i(3S)4D 19 -0.319 i(3P)4D 20 -0.127 i(3D)4D 21 20 324417.677 0.665 -0.705 i(3P)2P 26 -0.555 i(3D)2P 27 0.404 i(1P)2P 24 11.00 J 1.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 29172.887 29172.890 0.0 0.800 2p6.3d 2D 0.996 D(2D)2D 1 -0.085 i(1S)2D 28 2 34548.764 34548.747 0.0 0.800 2p6.4d 2D 1.000 E(1S)2D 2 3 37036.772 37036.762 0.0 0.800 2p6.5d 2D 1.000 F(1S)2D 3 4 38387.268 38387.262 0.0 0.800 2p6.6d 2D -1.000 G(1S)2D 4 5 39200.93 39200.930 0.0 0.800 2p6.7d 2D 1.000 H(1S)2D 5 6 39728.70 39728.700 0.0 0.800 2p6.8d 2D 1.000 I(1S)2D 6 7 40090.31 40090.310 0.0 0.800 2p6.9d 2D -1.000 J(1S)2D 7 8 40348.918 40348.917 0.0 0.800 2p6.10d 2D -1.000 K(1S)2D 8 9 40540.095R 40540.094 0.0 0.800 2p6.11d 2D -1.000 L(1S)2D 9 10 40685.509R 40685.509 0.0 0.800 2p6.12d 2D 1.000 M(1S)2D 10 11 40798.644R 40798.643 0.0 0.800 2p6.13d 2D -1.000 N(1S)2D 11 12 40888.387R 40888.387 0.0 0.800 2p6.14d 2D 1.000 O(1S)2D 12 13 263745.3 263935.231 189.9 1.998 3s3p3P 4S 0.991 h(3P)4S 15 -0.095 h(3P)4P 14 0.075 i(3D)4S 27 14 267282.3 267195.792 -86.5 1.206 3s3p3P 4D -0.961 h(3P)4D 13 0.171 h(3P)4P 14 -0.147 h(1P)2D 16 15 268897.4 268961.495 64.1 1.585 3s3p3P 4P -0.893 h(3P)4P 14 -0.311 h(1P)2D 16 -0.194 h(3P)2D 17 16 269726. 269739.801 13.8 0.944 3s3p3P 2D 0.763 h(1P)2D 16 0.480 h(3P)2D 17 -0.357 h(3P)4P 14 17 270877. 270847.450 -29.6 1.339 3s3p3P 2P -0.786 h(1P)2P 18 -0.558 h(3P)2P 19 0.179 h(3P)4P 14 18 281019. 281125.939 106.9 0.945 3s3p1P 2P 0.709 h(3P)2D 17 -0.449 h(1P)2D 16 -0.415 h(3P)2P 19 19 282076. 282294.198 218.2 1.189 3s3p1P 2D -0.683 h(3P)2P 19 0.484 h(1P)2P 18 -0.435 h(3P)2D 17 20 321522.116 1.195 -0.940 i(3S)4D 22 -0.298 i(3P)4D 23 -0.123 i(3D)4D 24 J 1.5 21 322488.923 0.824 0.795 i(3S)2D 31 -0.476 i(3D)2D 33 0.224 i(1D)2D 30 22 324543.223 0.474 -0.777 i(3D)4F 21 -0.498 i(3P)4F 20 0.194 i(1P)2D 29 23 325202.694 1.288 -0.663 i(3P)2P 36 -0.567 i(3D)2P 37 0.371 i(1P)2P 34 24 325517.606 1.341 -0.738 i(3D)4D 24 0.477 i(3D)4P 26 -0.286 i(3P)4D 23 25 325893.799 1.699 0.620 i(3D)4P 26 -0.602 i(3D)4S 27 0.348 i(3D)4D 24 26 326259.723 0.833 -0.513 i(3D)2D 33 -0.439 i(1D)2D 30 -0.408 i(1P)2D 29 27 326386.318 1.732 -0.700 i(3D)4S 27 -0.485 i(3D)4P 26 -0.240 i(3P)4P 25 28 327112.323 1.312 0.618 i(1D)2P 35 -0.414 i(3P)4P 25 0.368 i(1P)2P 34 29 327169.619 0.818 0.484 i(3P)4D 23 0.426 i(1P)2D 29 -0.413 i(3P)4F 20 30 327416.025 0.664 0.610 i(3P)4F 20 -0.383 i(3D)4F 21 0.376 i(1P)2D 29 11.00 J 2.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 29172.837 29172.837 0.0 1.200 2p6.3d 2D 0.996 D(2D)2D 1 -0.085 i(1S)2D 29 2 34548.729 34548.746 0.0 1.200 2p6.4d 2D 1.000 E(1S)2D 2 3 37036.752 37036.762 0.0 1.200 2p6.5d 2D 1.000 F(1S)2D 3 4 38387.255 38387.261 0.0 1.200 2p6.6d 2D 1.000 G(1S)2D 4 5 39200.93 39200.930 0.0 1.200 2p6.7d 2D 1.000 H(1S)2D 5 6 39728.70 39728.700 0.0 1.200 2p6.8d 2D -1.000 I(1S)2D 6 7 40090.31 40090.310 0.0 1.200 2p6.9d 2D 1.000 J(1S)2D 7 8 40348.915 40348.916 0.0 1.200 2p6.10d 2D 1.000 K(1S)2D 8 9 40540.093R 40540.094 0.0 1.200 2p6.11d 2D 1.000 L(1S)2D 9 10 40685.509R 40685.509 0.0 1.200 2p6.12d 2D -1.000 M(1S)2D 10 11 40798.642R 40798.643 0.0 1.200 2p6.13d 2D 1.000 N(1S)2D 11 12 40888.386R 40888.386 0.0 1.200 2p6.14d 2D -1.000 O(1S)2D 12 13 266933.9 266837.947 -96.0 1.374 3s3p3P 4D 0.970 h(3P)4D 13 -0.164 h(3P)4P 14 0.137 h(1P)2D 15 14 268513.9 268573.601 59.7 1.563 3s3p3P 4P -0.946 h(3P)4P 14 -0.251 h(1P)2D 15 -0.158 h(3P)2D 16 15 270196. 270224.745 28.7 1.237 3s3p3P 2D 0.790 h(1P)2D 15 0.507 h(3P)2D 16 -0.270 h(3P)4P 14 16 280596. 280281.481 -314.5 1.200 3s3p1P 2D 0.827 h(3P)2D 16 -0.532 h(1P)2D 15 -0.108 i(3P)2D 33 17 321629.025 1.366 -0.944 i(3S)4D 20 -0.260 i(3P)4D 21 -0.116 i(3D)4D 22 18 322256.723 1.188 -0.782 i(3S)2D 32 0.491 i(3D)2D 34 -0.239 i(1D)2D 31 19 323754.723 0.664 0.861 i(3D)4G 17 -0.261 i(3D)4F 19 -0.247 i(1P)2F 25 20 324626.233 1.021 0.767 i(3D)4F 19 0.423 i(3P)4F 18 0.283 i(3D)4G 17 J 2.5 21 324719.288 0.850 -0.837 i(3D)2F 28 -0.336 i(1P)2F 25 -0.288 i(3D)4G 17 22 325489.702 1.410 -0.734 i(3D)4D 22 0.499 i(3D)4P 24 -0.240 i(3P)4D 21 23 325581.990 0.878 0.578 i(1D)2F 26 0.509 i(3P)2F 27 0.407 i(1P)2F 25 24 326043.375 1.414 0.706 i(3D)4P 24 0.446 i(3D)4D 22 0.288 i(1D)2D 31 25 326233.177 1.251 -0.472 i(1P)2D 30 -0.442 i(3D)2D 34 0.437 i(3D)4P 24 26 326709.171 0.961 -0.633 i(3P)4F 18 0.490 i(1D)2F 26 -0.423 i(1P)2F 25 27 327179.504 1.305 0.755 i(3P)4D 21 0.408 i(1P)2D 30 -0.257 i(3D)4D 22 28 327609.345 0.983 0.503 i(3P)4F 18 0.494 i(1D)2F 26 -0.443 i(1P)2F 25 29 327906.837 1.400 0.697 i(3P)4P 23 -0.438 i(3D)2D 34 -0.327 i(3S)2D 32 30 328376.615 1.371 -0.543 i(3P)4P 23 -0.420 i(3P)4D 21 0.408 i(1P)2D 30 31 328531.628 1.251 -0.734 i(1D)2D 31 0.392 i(3S)2D 32 0.381 i(3P)4P 23 32 331419.094 0.921 0.678 i(3P)2F 27 -0.381 i(1P)2F 25 0.358 i(3D)2F 28 33 332440.314 1.144 -0.747 i(3P)2D 33 0.438 i(1P)2D 30 -0.302 i(3P)2F 27 34 353123.526 1.200 -0.992 i(1S)2D 29 -0.085 D(2D)2D 1 0.052 i(3D)2D 34 11.00 J 3.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 37059.54 37059.540 0.0 0.889 2p6.5g 2G 1.000 P(1S)2G 1 2 38400.900P 38400.902 0.0 0.889 2p6.6g 2G 1.000 Q(1S)2G 2 3 39209.725P 39209.725 0.0 0.889 2p6.7g 2G -1.000 R(1S)2G 3 4 39734.678P 39734.678 0.0 0.889 2p6.8g 2G 1.000 S(1S)2G 4 5 40094.581P 40094.581 0.0 0.889 2p6.9g 2G -1.000 T(1S)2G 5 6 40352.015P 40352.015 0.0 0.889 2p6.10g 2G -1.000 U(1S)2G 6 7 40542.484P 40542.484 0.0 0.889 2p6.11g 2G 1.000 V(1S)2G 7 8 40687.352P 40687.352 0.0 0.889 2p6.12g 2G 1.000 W(1S)2G 8 9 40800.091P 40800.091 0.0 0.889 2p6.13g 2G -1.000 X(1S)2G 9 10 40889.546P 40889.546 0.0 0.889 2p6.14g 2G 1.000 Y(1S)2G 10 11 266586.7 266472.855 -113.8 1.430 3s3p3P 4D 0.997 h(3P)4D 11 0.047 i(3D)4D 17 -0.042 i(3P)4D 16 12 321794.803 1.423 -0.959 i(3S)4D 15 -0.202 i(3P)4D 16 -0.106 i(3D)4D 17 13 323476.699 1.002 0.879 i(3D)4G 12 0.252 i(1D)2G 18 -0.205 i(3D)4F 14 14 323716.337 1.132 -0.823 i(3D)2F 23 0.359 i(3P)2F 22 -0.304 i(1P)2F 20 15 324262.563 1.075 -0.585 i(3D)4F 14 -0.545 i(1D)2G 18 -0.405 i(3D)2G 19 16 324885.060 1.120 -0.573 i(3D)4F 14 0.438 i(1D)2G 18 0.334 i(3D)2G 19 17 325431.049 1.234 -0.588 i(3D)4D 17 -0.462 i(1D)2F 21 -0.271 i(3P)2F 22 18 325782.490 1.270 -0.667 i(3D)4D 17 0.482 i(1P)2F 20 0.372 i(3P)2F 22 19 326550.153 1.216 0.779 i(3P)4F 13 -0.389 i(3D)4F 14 -0.319 i(1D)2F 21 20 327113.681 1.419 0.928 i(3P)4D 16 -0.280 i(3D)4D 17 -0.130 i(3S)4D 15 J 3.5 21 327861.149 1.176 -0.591 i(1D)2F 21 0.531 i(1P)2F 20 -0.359 i(3P)4F 13 22 330407.299 0.975 0.647 i(3D)2G 19 -0.494 i(1D)2G 18 -0.437 i(3P)2F 22 23 331675.925 1.057 0.611 i(3P)2F 22 0.471 i(3D)2G 19 -0.340 i(1D)2G 18 11.00 J 4.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 37059.54 37059.540 0.0 1.111 2p6.5g 2G 1.000 P(1S)2G 1 2 38400.904P 38400.902 0.0 1.111 2p6.6g 2G 1.000 Q(1S)2G 2 3 39209.725P 39209.725 0.0 1.111 2p6.7g 2G -1.000 R(1S)2G 3 4 39734.678P 39734.678 0.0 1.111 2p6.8g 2G 1.000 S(1S)2G 4 5 40094.581P 40094.581 0.0 1.111 2p6.9g 2G 1.000 T(1S)2G 5 6 40352.015P 40352.015 0.0 1.111 2p6.10g 2G -1.000 U(1S)2G 6 7 40542.484P 40542.484 0.0 1.111 2p6.11g 2G 1.000 V(1S)2G 7 8 40687.352P 40687.352 0.0 1.111 2p6.12g 2G -1.000 W(1S)2G 8 9 40800.091P 40800.091 0.0 1.111 2p6.13g 2G -1.000 X(1S)2G 9 10 40889.546P 40889.546 0.0 1.111 2p6.14g 2G 1.000 Y(1S)2G 10 11 323271.093 1.174 3p3D3d 4G -0.947 i(3D)4G 11 -0.208 i(1D)2G 14 0.151 i(3D)4F 13 12 324158.794 1.272 3p3D3d 4F 0.736 i(3D)4F 13 0.424 i(3P)4F 12 0.420 i(1D)2G 14 13 325272.231 1.180 3p3D3d 4G -0.613 i(1D)2G 14 0.531 i(3D)4F 13 -0.500 i(3D)2G 15 14 326436.181 1.325 3p3D3d 4G 0.896 i(3P)4F 12 -0.393 i(3D)4F 13 -0.136 i(1D)2G 14 15 329797.263 1.111 3p3D3d 4G 0.783 i(3D)2G 15 -0.621 i(1D)2G 14 11.00 J 5.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 39209.938P 39209.938 0.0 0.923 2p6.7i 2I 1.000 Z(1S)2I 1 2 39734.824P 39734.824 0.0 0.923 2p6.8i 2I 1.000 a(1S)2I 2 3 40094.685P 40094.685 0.0 0.923 2p6.9i 2I 1.000 b(1S)2I 3 4 40352.092P 40352.092 0.0 0.923 2p6.10i 2I 1.000 c(1S)2I 4 5 40542.543P 40542.543 0.0 0.923 2p6.11i 2I 1.000 d(1S)2I 5 6 40687.397P 40687.397 0.0 0.923 2p6.12i 2I 1.000 e(1S)2I 6 7 40800.127P 40800.127 0.0 0.923 2p6.13i 2I 1.000 f(1S)2I 7 8 40889.575P 40889.575 0.0 0.923 2p6.14i 2I 1.000 g(1S)2I 8 9 323084.786 1.273 3p3D3d 4G 1.000 i(3D)4G 9 11.00 J 6.5 1 2p6 3s 2 2p6 4s 3 2p6 5s 4 2p6 6s 5 2p6 7s 6 2p6 8s 7 2p6 9s 8 2p6 10s 9 2p6 11s A 2p6 12s B 2p6 13s C 2p6 14s D 2p6 3d E 2p6 4d F 2p6 5d G 2p6 6d H 2p6 7d I 2p6 8d J 2p6 9d K 2p6 10d L 2p6 11d M 2p6 12d N 2p6 13d O 2p6 14d P 2p6 5g Q 2p6 6g R 2p6 7g S 2p6 8g T 2p6 9g U 2p6 10g V 2p6 11g W 2p6 12g X 2p6 13g Y 2p6 14g Z 2p6 7i a 2p6 8i b 2p6 9i c 2p6 10i d 2p6 11i e 2p6 12i f 2p6 13i g 2p6 14i h 2p5 3s3p i 2p5 3p3d OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 39209.938P 39209.938 0.0 1.077 2p6.7i 2I 1.000 Z(1S)2I 1 2 39734.824P 39734.824 0.0 1.077 2p6.8i 2I 1.000 a(1S)2I 2 3 40094.685P 40094.685 0.0 1.077 2p6.9i 2I 1.000 b(1S)2I 3 4 40352.092P 40352.092 0.0 1.077 2p6.10i 2I 1.000 c(1S)2I 4 5 40542.543P 40542.543 0.0 1.077 2p6.11i 2I 1.000 d(1S)2I 5 6 40687.397P 40687.397 0.0 1.077 2p6.12i 2I 1.000 e(1S)2I 6 7 40800.127P 40800.127 0.0 1.077 2p6.13i 2I 1.000 f(1S)2I 7 8 40889.575P 40889.575 0.0 1.077 2p6.14i 2I 1.000 g(1S)2I 8 11.00 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 2p6 3s 1 1 EAV 1948.6 78.7 0.0 1948.6 0.0 0.000 1.000 0 1880.0 0 2p6 4s 2 2 EAV 25755.9 78.2 0.0 25755.9 27099.1 0.000 1.000 0 0.0 0 2p6 5s 3 3 EAV 33206.3 78.2 0.0 33206.3 34734.9 0.000 1.000 0 0.0 0 2p6 6s 4 4 EAV 36375.2 78.2 0.0 36375.2 37958.1 0.000 1.000 0 0.0 0 2p6 7s 5 5 EAV 38013.5 78.2 0.0 38013.5 39618.2 0.000 1.000 0 0.0 0 2p6 8s 6 6 EAV 38969.4 78.2 0.0 38969.4 40584.3 0.000 1.000 0 0.0 0 2p6 9s 7 7 EAV 39575.4 78.2 0.0 39575.4 41195.9 0.000 1.000 0 0.0 0 2p6 10s 8 8 EAV 39983.7 78.2 0.0 39983.7 41607.3 0.000 1.000 0 0.0 0 2p6 11s 9 9 EAV 40271.7 78.2 0.0 40271.7 41897.2 0.000 1.000 0 0.0 0 2p6 12s 10 A EAV 40482.4 78.2 0.0 40482.4 42109.3 0.000 1.000 0 0.0 0 2p6 13s 11 B EAV 40641.3 78.2 0.0 40641.3 42269.1 0.000 1.000 0 0.0 0 2p6 14s 12 C EAV 40764.0 78.2 0.0 40764.0 42392.5 0.000 1.000 0 0.0 0 2p6 3d 13 D EAV 31533.8 55.7 0.0 31533.8 30732.4 0.000 1.000 0 0.0 0 14 D ZETA 4 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 4d 15 E EAV 34549.5 55.3 0.0 34549.5 36141.3 0.000 1.000 0 0.0 0 16 E ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 5d 17 F EAV 37037.2 55.3 0.0 37037.2 38646.2 0.000 1.000 0 0.0 0 18 F ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 6d 19 G EAV 38387.5 55.3 0.0 38387.5 40005.4 0.000 1.000 0 0.0 0 20 G ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 7d 21 H EAV 39201.1 55.3 0.0 39201.1 40823.6 0.000 1.000 0 0.0 0 22 H ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8d 23 I EAV 39728.8 55.3 0.0 39728.8 41354.0 0.000 1.000 0 0.0 0 24 I ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9d 25 J EAV 40090.4 55.3 0.0 40090.4 41717.3 0.000 1.000 0 0.0 0 26 J ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10d 27 K EAV 40349.0 55.3 0.0 40349.0 41976.8 0.000 1.000 0 0.0 0 28 K ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11d 29 L EAV 40540.1 55.3 0.0 40540.1 42168.7 0.000 1.000 0 0.0 0 30 L ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12d 31 M EAV 40685.5 55.3 0.0 40685.5 42314.6 0.000 1.000 0 0.0 0 32 M ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13d 33 N EAV 40798.7 55.3 0.0 40798.7 42428.0 0.000 1.000 0 0.0 0 34 N ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14d 35 O EAV 40888.4 55.3 0.0 40888.4 42518.0 0.000 1.000 0 0.0 0 36 O ZETA 6 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 5g 37 P EAV 37059.5 55.3 0.0 37059.5 38690.6 0.000 1.000 0 0.0 0 38 P ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 6g 39 Q EAV 38400.9 55.3 0.0 38400.9 40031.9 0.000 1.000 0 0.0 0 40 Q ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 7g 41 R EAV 39209.7 55.3 0.0 39209.7 40840.5 0.000 1.000 0 0.0 0 42 R ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8g 43 S EAV 39734.7 55.3 0.0 39734.7 41365.6 0.000 1.000 0 0.0 0 44 S ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9g 45 T EAV 40094.6 55.3 0.0 40094.6 41725.3 0.000 1.000 0 0.0 0 46 T ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10g 47 U EAV 40352.0 55.3 0.0 40352.0 41982.7 0.000 1.000 0 0.0 0 48 U ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11g 49 V EAV 40542.5 55.3 0.0 40542.5 42173.2 0.000 1.000 0 0.0 0 50 V ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12g 51 W EAV 40687.4 55.3 0.0 40687.4 42318.1 0.000 1.000 0 0.0 0 52 W ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13g 53 X EAV 40800.1 55.3 0.0 40800.1 42430.9 0.000 1.000 0 0.0 0 54 X ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14g 55 Y EAV 40889.5 55.3 0.0 40889.5 42520.3 0.000 1.000 0 0.0 0 56 Y ZETA 7 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 7i 57 Z EAV 39209.9 55.3 0.0 39209.9 40840.7 0.000 1.000 0 1630.8 0 58 Z ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 8i 59 a EAV 39734.8 55.3 0.0 39734.8 41365.5 0.000 1.000 0 1630.8 0 60 a ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 9i 61 b EAV 40094.7 55.3 0.0 40094.7 41725.4 0.000 1.000 0 1630.8 0 62 b ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 10i 63 c EAV 40352.1 55.3 0.0 40352.1 41982.9 0.000 1.000 0 1630.8 0 64 c ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 11i 65 d EAV 40542.5 55.3 0.0 40542.5 42173.3 0.000 1.000 0 1630.8 0 66 d ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 12i 67 e EAV 40687.4 55.3 0.0 40687.4 42318.1 0.000 1.000 0 1630.8 0 68 e ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 13i 69 f EAV 40800.1 55.3 0.0 40800.1 42430.9 0.000 1.000 0 1630.8 0 70 f ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p6 14i 71 g EAV 40889.6 55.3 0.0 40889.6 42520.3 0.000 1.000 0 1630.8 0 72 g ZETA 8 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.0 0 2p5 3s3p 73 h EAV 272225.3 19.2 0.0 272225.3 263624.5 0.000 1.000 0 9000.0 0 74 h ZETA 1 933.7 0.0 0.0 933.7 933.7 1.000 FIXEDHF 1.000 0 0.0 0 75 h ZETA 3 31.1 0.0 0.0 31.1 31.1 1.000 FIXEDHF 1.000 0 0.0 0 76 h F2(13) 7991.1 110.4 0.0 7991.1 6580.6 1.214 0.800 0 0.0 0 77 h G1(12) 3675.8 104.4 0.0 3675.8 5200.4 0.707 0.800 0 0.0 0 78 h G0(13) 1840.0 49.5 0.0 1840.0 3880.9 0.474 0.800 0 0.0 0 79 h G2(13) 2975.0 228.2 0.0 2975.0 2821.8 1.054 0.800 0 0.0 0 80 h G1(23) 21297.2 75.9 0.0 21297.2 29533.1 0.721 0.800 0 0.0 0 2p5 3p3d 81 i EAV 326849.0 0.0 0.0 326849.0 317849.0 0.000 FIXEDHF 1.000 0 9000.0 0 82 i ZETA 1 937.5 0.0 0.0 937.5 937.5 1.000 FIXEDHF 1.000 0 0.0 0 83 i ZETA 3 49.8 0.0 0.0 49.8 49.8 1.000 FIXEDHF 1.000 0 0.0 0 84 i ZETA 4 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.0 0 85 i F2(13) 7763.7 0.0 0.0 7763.7 9704.6 0.800 FIXEDHF 0.800 0 0.0 0 86 i F2(14) 693.0 0.0 0.0 693.0 866.2 0.800 FIXEDHF 0.800 0 0.0 0 87 i F2(34) 7824.6 0.0 0.0 7824.6 9780.7 0.800 FIXEDHF 0.800 0 0.0 0 88 i G0(13) 4620.2 0.0 0.0 4620.2 5775.2 0.800 FIXEDHF 0.800 0 0.0 0 89 i G2(13) 3479.8 0.0 0.0 3479.8 4349.7 0.800 FIXEDHF 0.800 0 0.0 0 90 i G1(14) 114.7 0.0 0.0 114.7 143.4 0.800 FIXEDHF 0.800 0 0.0 0 91 i G3(14) 63.7 0.0 0.0 63.7 79.6 0.800 FIXEDHF 0.800 0 0.0 0 92 i G1(34) 7625.9 0.0 0.0 7625.9 9532.4 0.800 FIXEDHF 0.800 0 0.0 0 93 i G3(34) 4472.9 0.0 0.0 4472.9 5591.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3s3p 94 1h 0D1113 2804.6 0.0 0.0 2804.6 3505.7 0.800 FIXEDHF 0.800 0 0.0 0 95 1h 2D1113 11686.5 0.0 0.0 11686.5 14608.1 0.800 FIXEDHF 0.800 0 0.0 0 96 1h 1D1223 -3150.9 0.0 0.0 -3150.9 -3938.6 0.800 FIXEDHF 0.800 0 0.0 0 97 1h 0E1223 -436.9 0.0 0.0 -436.9 -546.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3s -2p5 3p3d 98 1i 2D1234 -935.0 0.0 0.0 -935.0 -1168.7 0.800 FIXEDHF 0.800 0 0.0 0 99 1i 1E1234 -1386.1 0.0 0.0 -1386.1 -1732.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3s3p 100 2h 1D1523 -697.8 0.0 0.0 -697.8 -872.2 0.800 FIXEDHF 0.800 0 0.0 0 101 2h 0E1523 686.8 0.0 0.0 686.8 858.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4s -2p5 3p3d 102 2i 2D1534 -167.8 0.0 0.0 -167.8 -209.8 0.800 FIXEDHF 0.800 0 0.0 0 103 2i 1E1534 -440.0 0.0 0.0 -440.0 -550.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3s3p 104 3h 1D1523 -359.8 0.0 0.0 -359.8 -449.8 0.800 FIXEDHF 0.800 0 0.0 0 105 3h 0E1523 410.4 0.0 0.0 410.4 513.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5s -2p5 3p3d 106 3i 2D1534 -97.7 0.0 0.0 -97.7 -122.1 0.800 FIXEDHF 0.800 0 0.0 0 107 3i 1E1534 -244.0 0.0 0.0 -244.0 -305.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3s3p 108 4h 1D1523 -230.4 0.0 0.0 -230.4 -288.0 0.800 FIXEDHF 0.800 0 0.0 0 109 4h 0E1523 281.2 0.0 0.0 281.2 351.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6s -2p5 3p3d 110 4i 2D1534 -64.7 0.0 0.0 -64.7 -80.9 0.800 FIXEDHF 0.800 0 0.0 0 111 4i 1E1534 -161.8 0.0 0.0 -161.8 -202.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3s3p 112 5h 1D1523 -164.2 0.0 0.0 -164.2 -205.3 0.800 FIXEDHF 0.800 0 0.0 0 113 5h 0E1523 208.2 0.0 0.0 208.2 260.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7s -2p5 3p3d 114 5i 2D1534 -47.0 0.0 0.0 -47.0 -58.7 0.800 FIXEDHF 0.800 0 0.0 0 115 5i 1E1534 -117.8 0.0 0.0 -117.8 -147.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3s3p 116 6h 1D1523 -124.8 0.0 0.0 -124.8 -156.0 0.800 FIXEDHF 0.800 0 0.0 0 117 6h 0E1523 162.2 0.0 0.0 162.2 202.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8s -2p5 3p3d 118 6i 2D1534 -36.1 0.0 0.0 -36.1 -45.1 0.800 FIXEDHF 0.800 0 0.0 0 119 6i 1E1534 -90.7 0.0 0.0 -90.7 -113.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3s3p 120 7h 1D1523 -99.0 0.0 0.0 -99.0 -123.8 0.800 FIXEDHF 0.800 0 0.0 0 121 7h 0E1523 131.0 0.0 0.0 131.0 163.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9s -2p5 3p3d 122 7i 2D1534 -28.8 0.0 0.0 -28.8 -36.0 0.800 FIXEDHF 0.800 0 0.0 0 123 7i 1E1534 -72.7 0.0 0.0 -72.7 -90.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3s3p 124 8h 1D1523 -81.1 0.0 0.0 -81.1 -101.4 0.800 FIXEDHF 0.800 0 0.0 0 125 8h 0E1523 108.6 0.0 0.0 108.6 135.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10s -2p5 3p3d 126 8i 2D1534 -23.8 0.0 0.0 -23.8 -29.7 0.800 FIXEDHF 0.800 0 0.0 0 127 8i 1E1534 -60.0 0.0 0.0 -60.0 -75.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3s3p 128 9h 1D1523 -68.0 0.0 0.0 -68.0 -85.0 0.800 FIXEDHF 0.800 0 0.0 0 129 9h 0E1523 92.0 0.0 0.0 92.0 115.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11s -2p5 3p3d 130 9i 2D1534 -20.0 0.0 0.0 -20.0 -25.0 0.800 FIXEDHF 0.800 0 0.0 0 131 9i 1E1534 -50.6 0.0 0.0 -50.6 -63.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3s3p 132 Ah 1D1523 -58.1 0.0 0.0 -58.1 -72.6 0.800 FIXEDHF 0.800 0 0.0 0 133 Ah 0E1523 79.2 0.0 0.0 79.2 99.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12s -2p5 3p3d 134 Ai 2D1534 -17.1 0.0 0.0 -17.1 -21.4 0.800 FIXEDHF 0.800 0 0.0 0 135 Ai 1E1534 -43.4 0.0 0.0 -43.4 -54.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3s3p 136 Bh 1D1523 -50.3 0.0 0.0 -50.3 -62.9 0.800 FIXEDHF 0.800 0 0.0 0 137 Bh 0E1523 69.1 0.0 0.0 69.1 86.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13s -2p5 3p3d 138 Bi 2D1534 -14.9 0.0 0.0 -14.9 -18.6 0.800 FIXEDHF 0.800 0 0.0 0 139 Bi 1E1534 -37.8 0.0 0.0 -37.8 -47.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3s3p 140 Ch 1D1523 -44.2 0.0 0.0 -44.2 -55.2 0.800 FIXEDHF 0.800 0 0.0 0 141 Ch 0E1523 61.0 0.0 0.0 61.0 76.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14s -2p5 3p3d 142 Ci 2D1534 -13.0 0.0 0.0 -13.0 -16.3 0.800 FIXEDHF 0.800 0 0.0 0 143 Ci 1E1534 -33.3 0.0 0.0 -33.3 -41.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3s3p 144 Dh 1D1423 -1098.2 0.0 0.0 -1098.2 -1372.7 0.800 FIXEDHF 0.800 0 0.0 0 145 Dh 2E1423 -415.6 0.0 0.0 -415.6 -519.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 3d -2p5 3p3d 146 Di 0D1113 3376.5 0.0 0.0 3376.5 4220.6 0.800 FIXEDHF 0.800 0 0.0 0 147 Di 2D1113 14110.2 0.0 0.0 14110.2 17637.8 0.800 FIXEDHF 0.800 0 0.0 0 148 Di 0D1434 -30.2 0.0 0.0 -30.2 -37.8 0.800 FIXEDHF 0.800 0 0.0 0 149 Di 2D1434 -338.0 0.0 0.0 -338.0 -422.5 0.800 FIXEDHF 0.800 0 0.0 0 150 Di 1E1434 -348.5 0.0 0.0 -348.5 -435.6 0.800 FIXEDHF 0.800 0 0.0 0 151 Di 3E1434 -124.0 0.0 0.0 -124.0 -155.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3s3p 152 Eh 1D1623 -736.0 0.0 0.0 -736.0 -920.0 0.800 FIXEDHF 0.800 0 0.0 0 153 Eh 2E1623 -306.2 0.0 0.0 -306.2 -382.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 4d -2p5 3p3d 154 Ei 0D1634 106.8 0.0 0.0 106.8 133.5 0.800 FIXEDHF 0.800 0 0.0 0 155 Ei 2D1634 -206.4 0.0 0.0 -206.4 -258.0 0.800 FIXEDHF 0.800 0 0.0 0 156 Ei 1E1634 -244.6 0.0 0.0 -244.6 -305.7 0.800 FIXEDHF 0.800 0 0.0 0 157 Ei 3E1634 -91.1 0.0 0.0 -91.1 -113.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3s3p 158 Fh 1D1623 -531.0 0.0 0.0 -531.0 -663.8 0.800 FIXEDHF 0.800 0 0.0 0 159 Fh 2E1623 -229.8 0.0 0.0 -229.8 -287.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5d -2p5 3p3d 160 Fi 0D1634 67.0 0.0 0.0 67.0 83.7 0.800 FIXEDHF 0.800 0 0.0 0 161 Fi 2D1634 -144.8 0.0 0.0 -144.8 -181.0 0.800 FIXEDHF 0.800 0 0.0 0 162 Fi 1E1634 -179.7 0.0 0.0 -179.7 -224.6 0.800 FIXEDHF 0.800 0 0.0 0 163 Fi 3E1634 -68.3 0.0 0.0 -68.3 -85.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3s3p 164 Gh 1D1623 -405.6 0.0 0.0 -405.6 -507.0 0.800 FIXEDHF 0.800 0 0.0 0 165 Gh 2E1623 -179.3 0.0 0.0 -179.3 -224.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6d -2p5 3p3d 166 Gi 0D1634 48.0 0.0 0.0 48.0 60.0 0.800 FIXEDHF 0.800 0 0.0 0 167 Gi 2D1634 -109.1 0.0 0.0 -109.1 -136.4 0.800 FIXEDHF 0.800 0 0.0 0 168 Gi 1E1634 -138.5 0.0 0.0 -138.5 -173.1 0.800 FIXEDHF 0.800 0 0.0 0 169 Gi 3E1634 -53.3 0.0 0.0 -53.3 -66.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3s3p 170 Hh 1D1623 -322.7 0.0 0.0 -322.7 -403.4 0.800 FIXEDHF 0.800 0 0.0 0 171 Hh 2E1623 -144.5 0.0 0.0 -144.5 -180.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7d -2p5 3p3d 172 Hi 0D1634 36.9 0.0 0.0 36.9 46.1 0.800 FIXEDHF 0.800 0 0.0 0 173 Hi 2D1634 -86.2 0.0 0.0 -86.2 -107.7 0.800 FIXEDHF 0.800 0 0.0 0 174 Hi 1E1634 -110.8 0.0 0.0 -110.8 -138.5 0.800 FIXEDHF 0.800 0 0.0 0 175 Hi 3E1634 -42.9 0.0 0.0 -42.9 -53.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3s3p 176 Ih 1D1623 -264.6 0.0 0.0 -264.6 -330.8 0.800 FIXEDHF 0.800 0 0.0 0 177 Ih 2E1623 -119.5 0.0 0.0 -119.5 -149.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8d -2p5 3p3d 178 Ii 0D1634 29.6 0.0 0.0 29.6 37.0 0.800 FIXEDHF 0.800 0 0.0 0 179 Ii 2D1634 -70.3 0.0 0.0 -70.3 -87.9 0.800 FIXEDHF 0.800 0 0.0 0 180 Ii 1E1634 -91.2 0.0 0.0 -91.2 -114.0 0.800 FIXEDHF 0.800 0 0.0 0 181 Ii 3E1634 -35.4 0.0 0.0 -35.4 -44.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3s3p 182 Jh 1D1623 -222.2 0.0 0.0 -222.2 -277.7 0.800 FIXEDHF 0.800 0 0.0 0 183 Jh 2E1623 -100.9 0.0 0.0 -100.9 -126.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9d -2p5 3p3d 184 Ji 0D1634 24.5 0.0 0.0 24.5 30.6 0.800 FIXEDHF 0.800 0 0.0 0 185 Ji 2D1634 -58.8 0.0 0.0 -58.8 -73.5 0.800 FIXEDHF 0.800 0 0.0 0 186 Ji 1E1634 -76.7 0.0 0.0 -76.7 -95.9 0.800 FIXEDHF 0.800 0 0.0 0 187 Ji 3E1634 -29.9 0.0 0.0 -29.9 -37.4 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3s3p 188 Kh 1D1623 -190.0 0.0 0.0 -190.0 -237.5 0.800 FIXEDHF 0.800 0 0.0 0 189 Kh 2E1623 -86.6 0.0 0.0 -86.6 -108.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10d -2p5 3p3d 190 Ki 0D1634 20.7 0.0 0.0 20.7 25.9 0.800 FIXEDHF 0.800 0 0.0 0 191 Ki 2D1634 -50.2 0.0 0.0 -50.2 -62.7 0.800 FIXEDHF 0.800 0 0.0 0 192 Ki 1E1634 -65.7 0.0 0.0 -65.7 -82.1 0.800 FIXEDHF 0.800 0 0.0 0 193 Ki 3E1634 -25.7 0.0 0.0 -25.7 -32.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3s3p 194 Lh 1D1623 -164.9 0.0 0.0 -164.9 -206.1 0.800 FIXEDHF 0.800 0 0.0 0 195 Lh 2E1623 -75.4 0.0 0.0 -75.4 -94.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11d -2p5 3p3d 196 Li 0D1634 17.8 0.0 0.0 17.8 22.3 0.800 FIXEDHF 0.800 0 0.0 0 197 Li 2D1634 -43.4 0.0 0.0 -43.4 -54.3 0.800 FIXEDHF 0.800 0 0.0 0 198 Li 1E1634 -57.1 0.0 0.0 -57.1 -71.4 0.800 FIXEDHF 0.800 0 0.0 0 199 Li 3E1634 -22.4 0.0 0.0 -22.4 -28.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3s3p 200 Mh 1D1623 -144.9 0.0 0.0 -144.9 -181.1 0.800 FIXEDHF 0.800 0 0.0 0 201 Mh 2E1623 -66.5 0.0 0.0 -66.5 -83.1 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12d -2p5 3p3d 202 Mi 0D1634 15.6 0.0 0.0 15.6 19.5 0.800 FIXEDHF 0.800 0 0.0 0 203 Mi 2D1634 -38.2 0.0 0.0 -38.2 -47.7 0.800 FIXEDHF 0.800 0 0.0 0 204 Mi 1E1634 -50.2 0.0 0.0 -50.2 -62.8 0.800 FIXEDHF 0.800 0 0.0 0 205 Mi 3E1634 -19.7 0.0 0.0 -19.7 -24.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3s3p 206 Nh 1D1623 -128.6 0.0 0.0 -128.6 -160.8 0.800 FIXEDHF 0.800 0 0.0 0 207 Nh 2E1623 -59.1 0.0 0.0 -59.1 -73.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13d -2p5 3p3d 208 Ni 0D1634 13.8 0.0 0.0 13.8 17.3 0.800 FIXEDHF 0.800 0 0.0 0 209 Ni 2D1634 -33.8 0.0 0.0 -33.8 -42.3 0.800 FIXEDHF 0.800 0 0.0 0 210 Ni 1E1634 -44.6 0.0 0.0 -44.6 -55.8 0.800 FIXEDHF 0.800 0 0.0 0 211 Ni 3E1634 -17.5 0.0 0.0 -17.5 -21.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3s3p 212 Oh 1D1623 -115.2 0.0 0.0 -115.2 -144.0 0.800 FIXEDHF 0.800 0 0.0 0 213 Oh 2E1623 -53.0 0.0 0.0 -53.0 -66.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14d -2p5 3p3d 214 Oi 0D1634 12.3 0.0 0.0 12.3 15.4 0.800 FIXEDHF 0.800 0 0.0 0 215 Oi 2D1634 -30.2 0.0 0.0 -30.2 -37.8 0.800 FIXEDHF 0.800 0 0.0 0 216 Oi 1E1634 -40.0 0.0 0.0 -40.0 -50.0 0.800 FIXEDHF 0.800 0 0.0 0 217 Oi 3E1634 -15.8 0.0 0.0 -15.8 -19.7 0.800 FIXEDHF 0.800 0 0.0 0 2p6 5g -2p5 3p3d 218 Pi 2D1734 -16.4 0.0 0.0 -16.4 -20.5 0.800 FIXEDHF 0.800 0 0.0 0 219 Pi 3E1734 -1.3 0.0 0.0 -1.3 -1.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 6g -2p5 3p3d 220 Qi 2D1734 -15.7 0.0 0.0 -15.7 -19.6 0.800 FIXEDHF 0.800 0 0.0 0 221 Qi 3E1734 -1.3 0.0 0.0 -1.3 -1.6 0.800 FIXEDHF 0.800 0 0.0 0 2p6 7g -2p5 3p3d 222 Ri 2D1734 -13.8 0.0 0.0 -13.8 -17.2 0.800 FIXEDHF 0.800 0 0.0 0 223 Ri 3E1734 -1.2 0.0 0.0 -1.2 -1.5 0.800 FIXEDHF 0.800 0 0.0 0 2p6 8g -2p5 3p3d 224 Si 2D1734 -11.9 0.0 0.0 -11.9 -14.9 0.800 FIXEDHF 0.800 0 0.0 0 225 Si 3E1734 -1.0 0.0 0.0 -1.0 -1.3 0.800 FIXEDHF 0.800 0 0.0 0 2p6 9g -2p5 3p3d 226 Ti 2D1734 -10.3 0.0 0.0 -10.3 -12.9 0.800 FIXEDHF 0.800 0 0.0 0 227 Ti 3E1734 -1.0 0.0 0.0 -1.0 -1.2 0.800 FIXEDHF 0.800 0 0.0 0 2p6 10g -2p5 3p3d 228 Ui 2D1734 -9.0 0.0 0.0 -9.0 -11.3 0.800 FIXEDHF 0.800 0 0.0 0 229 Ui 3E1734 -0.8 0.0 0.0 -0.8 -1.0 0.800 FIXEDHF 0.800 0 0.0 0 2p6 11g -2p5 3p3d 230 Vi 2D1734 -7.9 0.0 0.0 -7.9 -9.9 0.800 FIXEDHF 0.800 0 0.0 0 231 Vi 3E1734 -0.7 0.0 0.0 -0.7 -0.9 0.800 FIXEDHF 0.800 0 0.0 0 2p6 12g -2p5 3p3d 232 Wi 2D1734 -7.0 0.0 0.0 -7.0 -8.8 0.800 FIXEDHF 0.800 0 0.0 0 233 Wi 3E1734 -0.6 0.0 0.0 -0.6 -0.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 13g -2p5 3p3d 234 Xi 2D1734 -6.3 0.0 0.0 -6.3 -7.9 0.800 FIXEDHF 0.800 0 0.0 0 235 Xi 3E1734 -0.6 0.0 0.0 -0.6 -0.8 0.800 FIXEDHF 0.800 0 0.0 0 2p6 14g -2p5 3p3d 236 Yi 2D1734 -5.7 0.0 0.0 -5.7 -7.1 0.800 FIXEDHF 0.800 0 0.0 0 237 Yi 3E1734 -0.6 0.0 0.0 -0.6 -0.7 0.800 FIXEDHF 0.800 0 0.0 0 2p5 3s3p -2p5 3p3d 238 hi 2D1214 1513.1 0.0 0.0 1513.1 1891.4 0.800 FIXEDHF 0.800 0 0.0 0 239 hi 1E1214 -37.9 0.0 0.0 -37.9 -47.4 0.800 FIXEDHF 0.800 0 0.0 0 240 hi 1D2334 14285.4 0.0 0.0 14285.4 17856.8 0.800 FIXEDHF 0.800 0 0.0 0 241 hi 2E2334 8799.8 0.0 0.0 8799.8 10999.8 0.800 FIXEDHF 0.800 0 0.0 0 STANDARD DEVIATION 78.2 48 FREE ITERATION 2 KURUCZ job terminated at 11-SEP-2012 11:30:22.20 Accounting information: Buffered I/O count: 190 Peak working set size: 9776 Direct I/O count: 486 Peak virtual size: 322592 Page faults: 2090 Mounted volumes: 0 Charged CPU time: 0 00:00:00.32 Elapsed time: 0 00:00:05.13