$ 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 $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN B1100OZ.PUN FOR007 $ASSIGN C1100OZ.EIG FOR003 $ASSIGN H1100OZ.HAM FOR001 $ASSIGN EAV1100OZ.DAT FOR066 $ASSIGN POOLG:B1100O15 FOR015 $ASSIGN POOLG:B1100O16 FOR016 $RUN CRAY:LEAST3007 NPAR 267 NJ 8 FIRSTJ 0.5 1 p 6 s 0 p 1 d 0 p 0 f 0 h 0 k 0 2 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 3 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 4 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 5 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 6 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 7 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 8 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 9 p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 A p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 B p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 C p 6 s 0 p 0 d 0 p 1 f 0 h 0 k 0 D p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 E p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 F p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 G p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 H p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 I p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 J p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 K p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 L p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 M p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 N p 6 s 0 p 0 d 0 p 0 f 1 h 0 k 0 O p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 P p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 Q p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 R p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 S p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 T p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 U p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 V p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 W p 6 s 0 p 0 d 0 p 0 f 0 h 1 k 0 X p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 Y p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 Z p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 a p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 b p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 c p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 d p 6 s 0 p 0 d 0 p 0 f 0 h 0 k 1 e p 5 s 2 p 0 d 0 p 0 f 0 h 0 k 0 f p 5 s 1 p 0 d 1 p 0 f 0 h 0 k 0 g p 5 s 0 p 0 d 2 p 0 f 0 h 0 k 0 h p 5 s 0 p 2 d 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 30 39 34 26 15 11 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 169 39 1 0 30 69 103 129 144 155 162 169 169 169 169 169 169 169 169 169 169 169 169 169 169 169 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 1 0 0 0 0.300 1.500 1 1.0 40 40 50 50 40 30 20 20 10 10 10 10 10 10 0 0 0 0 0 0 0 0 0 1 1.0 30 39 34 26 15 11 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.00 2p6 3p 2p6 4p 2p6 5p 2p6 6p 2p6 7p 2p6 8p 2p6 9p 2p6 10p 2p6 11p 2p6 12p 2p6 13p 2p6 14p 2p6 4f 2p6 5f 2p6 6f 2p6 7f 2p6 8f 2p6 9f 2p6 10f 2p6 11f 2p6 12f 2p6 13f 2p6 14f 2p6 6h 2p6 7h 2p6 8h 2p6 9h 2p6 10h 2p6 11h 2p6 12h 2p6 13h 2p6 14h 2p6 8k 2p6 9k 2p6 10k 2p6 11k 2p6 12k 2p6 13k 2p6 14k 2p5 3s2 2p5 3s3d 2p5 3d2 2p5 3p2 SENORITY MIXING CORRECTIONS 0 0.5 16956.170 2p6.3p 2P 2p6.3p 2P 0 0.5 30266.99 2p6.4p 2P 2p6.4p 2P 0 0.5 35040.38 2p6.5p 2P 2p6.5p 2P 0 0.5 37296.32 2p6.6p 2P 2p6.6p 2P 0 0.5 38540.18 2p6.7p 2P 2p6.7p 2P 0 0.5 39298.35 2p6.8p 2P 2p6.8p 2P 0 0.5 39794.479R 2p6.9p 2P 2p6.9p 2P 0 0.5 40136.810 2p6.10p 2P 2p6.10p 2P 0 0.5 40382.925 2p6.11p 2P 2p6.11p 2P 0 0.5 40565.783R 2p6.12p 2P 2p6.12p 2P 0 0.5 40705.344R 2p6.13p 2P 2p6.13p 2P 0 0.5 40814.273R 2p6.14p 2P 2p6.14p 2P 0 0.5 249489. 2p5.3s2 2P 2p5.3s2 2P 1 0.5 290234. 2p5.3s(3P)3d 2P 3s3P3d 2P 0 0.5 292219.6 2p5.3s(3P)3d 4P 3s3P3d 4P 0 0.5 293133.1 2p5.3s(3P)3d 4D 3s3P3d 4D 0 0.5 295526. 2p5.3s(1P)3d 2P 3s1P3d 2P 1 0.5 1 0.5 1 0.5 1 0.5 0 0.5 312356. 2p5.3p2(1S) 2P 3p2(1S) 2P 0 -1.0 0 1.5 16973.366 2p6.3p 2P 2p6.3p 2P 0 1.5 30272.58 2p6.4p 2P 2p6.4p 2P 0 1.5 35042.85 2p6.5p 2P 2p6.5p 2P 0 1.5 37297.61 2p6.6p 2P 2p6.6p 2P 0 1.5 38540.93 2p6.7p 2P 2p6.7p 2P 0 1.5 39298.84 2p6.8p 2P 2p6.8p 2P 0 1.5 39794.810R 2p6.9p 2P 2p6.9p 2P 0 1.5 40137.043 2p6.10p 2P 2p6.10p 2P 0 1.5 40383.097 2p6.11p 2P 2p6.11p 2P 0 1.5 40565.913R 2p6.12p 2P 2p6.12p 2P 0 1.5 40705.444R 2p6.13p 2P 2p6.13p 2P 0 1.5 40814.352R 2p6.14p 2P 2p6.14p 2P 0 1.5 248170. 2p5.3s2 2P 2p5.3s2 2P 1 1.5 290489. 2p5.3s(3P)3d 2P 3s3P3d 2P 0 1.5 292090. 2p5.3s(3P)3d 2D 3s3P3d 2D 0 1.5 292289.2 2p5.3s(3P)3d 4P 3s3P3d 4P 0 1.5 293010.3 2p5.3s(3P)3d 4D 3s3P3d 4D 0 1.5 293528. 2p5.3s(3P)3d 4F 3s3P3d 4F 0 1.5 295294. 2p5.3s(1P)3d 2P 3s1P3d 2P 0 1.5 295749. 2p5.3s(1P)3d 2D 3s1P3d 2D 1 1.5 1 1.5 1 1.5 1 1.5 1 1.5 1 1.5 0 1.5 310981. 2p5.3p2(1S) 2P 3p2(1S) 2P 0 -1.0 0 2.5 34586.92 2p6.4f 2F 2p6.4f 2F 0 2.5 37057.65 2p6.5f 2F 2p6.5f 2F 0 2.5 38399.79 2p6.6f 2F 2p6.6f 2F 0 2.5 39208.98 2p6.7f 2F 2p6.7f 2F 0 2.5 39734.16 2p6.8f 2F 2p6.8f 2F 0 2.5 40094.19 2p6.9f 2F 2p6.9f 2F 0 2.5 40351.761P 2p6.10f 2F 2p6.10f 2F 0 2.5 40542.293P 2p6.11f 2F 2p6.11f 2F 0 2.5 40687.203P 2p6.12f 2F 2p6.12f 2F 0 2.5 40799.974P 2p6.13f 2F 2p6.13f 2F 0 2.5 40889.452P 2p6.14f 2F 2p6.14f 2F 1 2.5 1 2.5 0 2.5 292399.4 2p5.3s(3P)3d 4D 3s3P3d 4D 0 2.5 292913.9 2p5.3s(3P)3d 4F 3s3P3d 4F 1 2.5 1 2.5 0 2.5 295740. 2p5.3s(1P)3d 2D 3s1P3d 2D 0 -1.0 0 3.5 34586.92 2p6.4f 2F 2p6.4f 2F 0 3.5 37057.65 2p6.5f 2F 2p6.5f 2F 0 3.5 38399.79 2p6.6f 2F 2p6.6f 2F 0 3.5 39208.98 2p6.7f 2F 2p6.7f 2F 0 3.5 39734.16 2p6.8f 2F 2p6.8f 2F 0 3.5 40094.19 2p6.9f 2F 2p6.9f 2F 0 3.5 40351.761P 2p6.10f 2F 2p6.10f 2F 0 3.5 40542.293P 2p6.11f 2F 2p6.11f 2F 0 3.5 40687.203P 2p6.12f 2F 2p6.12f 2F 0 3.5 40799.974P 2p6.13f 2F 2p6.13f 2F 0 3.5 40889.452P 2p6.14f 2F 2p6.14f 2F 1 3.5 0 3.5 292449.7 2p5.3s(3P)3d 4F 3s3P3d 4F 1 3.5 0 -1.0 0 4.5 38401.153P 2p6.6h 2H 2p6.6h 2H 0 4.5 39209.887P 2p6.7h 2H 2p6.7h 2H 0 4.5 39734.790P 2p6.8h 2H 2p6.8h 2H 0 4.5 40094.660P 2p6.9h 2H 2p6.9h 2H 0 4.5 40352.073P 2p6.10h 2H 2p6.10h 2H 0 4.5 40542.529P 2p6.11h 2H 2p6.11h 2H 0 4.5 40687.386P 2p6.12h 2H 2p6.12h 2H 0 4.5 40800.118P 2p6.13h 2H 2p6.13h 2H 0 4.5 40889.568P 2p6.14h 2H 2p6.14h 2H 0 4.5 292340.6 2p5.3s(3P)3d 4F 3s3P3d 4F 0 -1.0 0 5.5 38401.147P 2p6.6h 2H 2p6.6h 2H 0 5.5 39209.887P 2p6.7h 2H 2p6.7h 2H 0 5.5 39734.790P 2p6.8h 2H 2p6.8h 2H 0 5.5 40094.660P 2p6.9h 2H 2p6.9h 2H 0 5.5 40352.073P 2p6.10h 2H 2p6.10h 2H 0 5.5 40542.529P 2p6.11h 2H 2p6.11h 2H 0 5.5 40687.386P 2p6.12h 2H 2p6.12h 2H 0 5.5 40800.118P 2p6.13h 2H 2p6.13h 2H 0 5.5 40889.568P 2p6.14h 2H 2p6.14h 2H 0 -1.0 0 6.5 39734.837P 2p6.8k 2K 2p6.8k 2K 0 6.5 40094.694P 2p6.9k 2K 2p6.9k 2K 0 6.5 40352.098P 2p6.10k 2K 2p6.10k 2K 0 6.5 40542.548P 2p6.11k 2K 2p6.11k 2K 0 6.5 40687.401P 2p6.12k 2K 2p6.12k 2K 0 6.5 40800.130P 2p6.13k 2K 2p6.13k 2K 0 6.5 40889.578P 2p6.14k 2K 2p6.14k 2K 0 7.5 39734.837P 2p6.8k 2K 2p6.8k 2K 0 7.5 40094.694P 2p6.9k 2K 2p6.9k 2K 0 7.5 40352.098P 2p6.10k 2K 2p6.10k 2K 0 7.5 40542.548P 2p6.11k 2K 2p6.11k 2K 0 7.5 40687.401P 2p6.12k 2K 2p6.12k 2K 0 7.5 40800.130P 2p6.13k 2K 2p6.13k 2K 0 7.5 40889.578P 2p6.14k 2K 2p6.14k 2K 267 42.4 51 LEAST SQUARES 1 1 EAV 18583.8 30.0 17146.9 1.000 0 0.0 0 2p6 3p 2 1 ZETA 3 10.3 40.0 14.6 1.000 0 0.0 0 3 2 EAV 30275.3 30.0 31467.3 1.000 0 0.0 0 2p6 4p 4 2 ZETA 5 3.7 40.0 4.9 1.000 0 0.0 0 5 3 EAV 35044.0 30.0 36483.9 1.000 0 0.0 0 2p6 5p 6 3 ZETA 5 1.6 40.0 2.2 1.000 0 0.0 0 7 4 EAV 37298.2 30.0 38828.6 1.000 0 0.0 0 2p6 6p 8 4 ZETA 5 0.9 40.0 1.2 1.000 0 0.0 0 9 5 EAV 38541.3 30.0 40112.8 1.000 0 0.0 0 2p6 7p 10 5 ZETA 5 0.5 40.0 0.7 1.000 0 0.0 0 11 6 EAV 39299.1 30.0 40891.9 1.000 0 0.0 0 2p6 8p 12 6 ZETA 5 0.3 0.0 0.5 FIXEDHF 0.700 0 0.0 0 13 7 EAV 39795.0 30.0 41400.0 1.000 0 0.0 0 2p6 9p 14 7 ZETA 5 0.2 0.0 0.3 FIXEDHF 0.700 0 0.0 0 15 8 EAV 40137.1 30.0 41749.8 1.000 0 0.0 0 2p6 10p 16 8 ZETA 5 0.1 0.0 0.2 FIXEDHF 0.700 0 0.0 0 17 9 EAV 40383.2 30.0 42000.6 1.000 0 0.0 0 2p6 11p 18 9 ZETA 5 0.1 0.0 0.2 FIXEDHF 0.700 0 0.0 0 19 A EAV 40566.0 30.0 42186.7 1.000 0 0.0 0 2p6 12p 20 A ZETA 5 0.1 0.0 0.1 FIXEDHF 0.700 0 0.0 0 21 B EAV 40705.5 30.0 42328.4 1.000 0 0.0 0 2p6 13p 22 B ZETA 5 0.1 0.0 0.1 FIXEDHF 0.700 0 0.0 0 23 C EAV 40814.4 30.0 42438.9 1.000 0 0.0 0 2p6 14p 24 C ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 25 D EAV 34587.1 30.0 36217.9 1.000 0 0.0 0 2p6 4f 26 D ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 27 E EAV 37057.7 30.0 38687.9 1.000 0 0.0 0 2p6 5f 28 E ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 29 F EAV 38399.8 30.0 40030.1 1.000 0 0.0 0 2p6 6f 30 F ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 31 G EAV 39209.0 30.0 40839.3 1.000 0 0.0 0 2p6 7f 32 G ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 33 H EAV 39734.2 30.0 41364.7 1.000 0 0.0 0 2p6 8f 34 H ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 35 I EAV 40094.2 30.0 41724.8 1.000 0 0.0 0 2p6 9f 36 I ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 37 J EAV 40351.8 30.0 41982.3 1.000 0 0.0 0 2p6 10f 38 J ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 39 K EAV 40542.3 30.0 42172.8 1.000 0 0.0 0 2p6 11f 40 K ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 L EAV 40687.2 30.0 42317.7 1.000 0 0.0 0 2p6 12f 42 L ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 M EAV 40800.0 30.0 42430.6 1.000 0 0.0 0 2p6 13f 44 M ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 N EAV 40889.5 30.0 42520.1 1.000 0 0.0 0 2p6 14f 46 N ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 O EAV 38401.2 30.0 40031.9 1.000 0 0.0 0 2p6 6h 48 O ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 P EAV 39209.9 30.0 40840.6 1.000 0 0.0 0 2p6 7h 50 P ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 Q EAV 39734.8 30.0 41365.6 1.000 0 0.0 0 2p6 8h 52 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 R EAV 40094.7 30.0 41725.4 1.000 0 0.0 0 2p6 9h 54 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 S EAV 40352.1 30.0 41982.8 1.000 0 0.0 0 2p6 10h 56 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 T EAV 40542.5 30.0 42173.3 1.000 0 0.0 0 2p6 11h 58 T ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 U EAV 40687.4 30.0 42318.2 1.000 0 0.0 0 2p6 12h 60 U ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 V EAV 40800.1 30.0 42430.9 1.000 0 0.0 0 2p6 13h 62 V ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 W EAV 40889.6 30.0 42520.4 1.000 0 0.0 0 2p6 14h 64 W ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 X EAV 39734.8 30.0 41365.5 1.000 0 0.0 0 2p6 8k 66 X ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 Y EAV 40094.7 30.0 41725.4 1.000 0 0.0 0 2p6 9k 68 Y ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 69 Z EAV 40352.1 30.0 41982.8 1.000 0 0.0 0 2p6 10k 70 Z ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 71 a EAV 40542.5 30.0 42173.2 1.000 0 0.0 0 2p6 11k 72 a ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 73 b EAV 40687.4 30.0 42318.1 1.000 0 0.0 0 2p6 12k 74 b ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 75 c EAV 40800.1 30.0 42430.8 1.000 0 0.0 0 2p6 13k 76 c ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 77 d EAV 40889.6 30.0 42520.3 1.000 0 0.0 0 2p6 14k 78 d ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 79 e EAV 252001.8 32.0 244626.0 1.000 0 7000.0 0 2p5 3s2 80 e ZETA 1 932.9 0.0 932.9 FIXEDHF 1.000 0 0.0 0 81 f EAV 293723.3 12.0 286851.1 1.000 0 7000.0 0 2p5 3s3d 82 f ZETA 1 901.1 26.0 936.1 1.000 0 0.0 0 83 f ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 84 f F2(14) 876.0 108.0 617.6 0.800 0 0.0 0 85 f G1(12) 4410.2 56.0 5962.2 0.800 0 0.0 0 86 f G1(14) 64.3 0.0 80.4 FIXEDHF 0.800 0 0.0 0 87 f G3(14) 35.6 0.0 44.5 FIXEDHF 0.800 0 0.0 0 88 f G2(24) 1399.2 196.0 3243.8 0.800 0 0.0 0 89 g EAV 355574.8 0.0 348574.8 FIXEDHF 1.000 0 7000.0 0 2p5 3d2 90 g F2(44) 11878.0 0.0 14847.5 FIXEDHF 0.800 0 0.0 0 91 g F4(44) 7559.1 0.0 9448.9 FIXEDHF 0.800 0 0.0 0 92 g ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 93 g BETA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 94 g t(d 2) 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 95 g ZETA 1 942.5 0.0 942.5 FIXEDHF 1.000 0 0.0 0 96 g ZETA 4 0.2 0.0 0.2 FIXEDHF 1.000 0 0.0 0 97 g F2(14) 1544.8 0.0 1931.0 FIXEDHF 0.800 0 0.0 0 98 g G1(14) 378.6 0.0 473.3 FIXEDHF 0.800 0 0.0 0 99 g G3(14) 210.7 0.0 263.4 FIXEDHF 0.800 0 0.0 0 100 h EAV 303173.7 34.0 295306.7 1.000 0 7000.0 0 2p5 3p2 101 h F2(33) 18080.2 0.0 22600.3 FIXEDHF 0.800 0 0.0 0 102 h ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 103 h ZETA 1 935.4 0.0 935.4 FIXEDHF 1.000 0 0.0 0 104 h ZETA 3 34.8 0.0 34.8 FIXEDHF 1.000 0 0.0 0 105 h F2(13) 5760.4 0.0 7200.5 FIXEDHF 0.800 0 0.0 0 106 h G0(13) 3331.0 0.0 4163.8 FIXEDHF 0.800 0 0.0 0 107 h G2(13) 2471.9 0.0 3089.9 FIXEDHF 0.800 0 0.0 0 108 1e 1D1322 -2050.1 0.0 -2562.6 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s2 109 1f 1D1324 -1387.9 0.0 -1734.9 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3s3d 110 1f 1E1324 -671.9 0.0 -839.9 FIXEDHF 0.800 0 0.0 0 111 1g 1D1344 -1134.2 0.0 -1417.8 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3d2 112 1g 3D1344 -356.0 0.0 -445.0 FIXEDHF 0.800 0 0.0 0 113 1h 0D1113 2883.6 0.0 3604.5 FIXEDHF 0.800 0 0.0 0 2p6 3p -2p5 3p2 114 1h 2D1113 12039.8 0.0 15049.8 FIXEDHF 0.800 0 0.0 0 115 1h 0D1333 127.8 0.0 159.8 FIXEDHF 0.800 0 0.0 0 116 1h 2D1333 -854.6 0.0 -1068.3 FIXEDHF 0.800 0 0.0 0 117 2e 1D1522 -991.9 0.0 -1239.9 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s2 118 2f 1D1524 -247.4 0.0 -309.2 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3s3d 119 2f 1E1524 -353.8 0.0 -442.2 FIXEDHF 0.800 0 0.0 0 120 2g 1D1544 -377.0 0.0 -471.3 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3d2 121 2g 3D1544 -169.9 0.0 -212.4 FIXEDHF 0.800 0 0.0 0 122 2h 0D1533 444.6 0.0 555.8 FIXEDHF 0.800 0 0.0 0 2p6 4p -2p5 3p2 123 2h 2D1533 -396.0 0.0 -495.0 FIXEDHF 0.800 0 0.0 0 124 3e 1D1522 -625.2 0.0 -781.5 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s2 125 3f 1D1524 -159.2 0.0 -199.0 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3s3d 126 3f 1E1524 -229.4 0.0 -286.8 FIXEDHF 0.800 0 0.0 0 127 3g 1D1544 -224.5 0.0 -280.6 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3d2 128 3g 3D1544 -107.4 0.0 -134.2 FIXEDHF 0.800 0 0.0 0 129 3h 0D1533 286.8 0.0 358.5 FIXEDHF 0.800 0 0.0 0 2p6 5p -2p5 3p2 130 3h 2D1533 -245.7 0.0 -307.1 FIXEDHF 0.800 0 0.0 0 131 4e 1D1522 -442.6 0.0 -553.3 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s2 132 4f 1D1524 -111.3 0.0 -139.1 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3s3d 133 4f 1E1524 -164.7 0.0 -205.9 FIXEDHF 0.800 0 0.0 0 134 4g 1D1544 -155.0 0.0 -193.8 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3d2 135 4g 3D1544 -76.2 0.0 -95.2 FIXEDHF 0.800 0 0.0 0 136 4h 0D1533 205.8 0.0 257.2 FIXEDHF 0.800 0 0.0 0 2p6 6p -2p5 3p2 137 4h 2D1533 -172.6 0.0 -215.7 FIXEDHF 0.800 0 0.0 0 138 5e 1D1522 -335.4 0.0 -419.2 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s2 139 5f 1D1524 -83.4 0.0 -104.3 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3s3d 140 5f 1E1524 -125.8 0.0 -157.3 FIXEDHF 0.800 0 0.0 0 141 5g 1D1544 -115.9 0.0 -144.9 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3d2 142 5g 3D1544 -57.8 0.0 -72.2 FIXEDHF 0.800 0 0.0 0 143 5h 0D1533 157.2 0.0 196.5 FIXEDHF 0.800 0 0.0 0 2p6 7p -2p5 3p2 144 5h 2D1533 -130.1 0.0 -162.6 FIXEDHF 0.800 0 0.0 0 145 6e 1D1522 -265.7 0.0 -332.1 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s2 146 6f 1D1524 -65.6 0.0 -82.0 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3s3d 147 6f 1E1524 -100.2 0.0 -125.2 FIXEDHF 0.800 0 0.0 0 148 6g 1D1544 -91.0 0.0 -113.8 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3d2 149 6g 3D1544 -45.8 0.0 -57.3 FIXEDHF 0.800 0 0.0 0 150 6h 0D1533 125.2 0.0 156.5 FIXEDHF 0.800 0 0.0 0 2p6 8p -2p5 3p2 151 6h 2D1533 -102.7 0.0 -128.4 FIXEDHF 0.800 0 0.0 0 152 7e 1D1522 -217.3 0.0 -271.6 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s2 153 7f 1D1524 -53.4 0.0 -66.7 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3s3d 154 7f 1E1524 -82.2 0.0 -102.8 FIXEDHF 0.800 0 0.0 0 155 7g 1D1544 -74.0 0.0 -92.5 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3d2 156 7g 3D1544 -37.5 0.0 -46.9 FIXEDHF 0.800 0 0.0 0 157 7h 0D1533 102.9 0.0 128.6 FIXEDHF 0.800 0 0.0 0 2p6 9p -2p5 3p2 158 7h 2D1533 -83.8 0.0 -104.8 FIXEDHF 0.800 0 0.0 0 159 8e 1D1522 -182.1 0.0 -227.6 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s2 160 8f 1D1524 -44.6 0.0 -55.7 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3s3d 161 8f 1E1524 -69.1 0.0 -86.4 FIXEDHF 0.800 0 0.0 0 162 8g 1D1544 -61.8 0.0 -77.2 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3d2 163 8g 3D1544 -31.4 0.0 -39.3 FIXEDHF 0.800 0 0.0 0 164 8h 0D1533 86.5 0.0 108.1 FIXEDHF 0.800 0 0.0 0 2p6 10p -2p5 3p2 165 8h 2D1533 -70.1 0.0 -87.6 FIXEDHF 0.800 0 0.0 0 166 9e 1D1522 -155.5 0.0 -194.4 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s2 167 9f 1D1524 -37.9 0.0 -47.4 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3s3d 168 9f 1E1524 -59.1 0.0 -73.9 FIXEDHF 0.800 0 0.0 0 169 9g 1D1544 -52.6 0.0 -65.7 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3d2 170 9g 3D1544 -26.9 0.0 -33.6 FIXEDHF 0.800 0 0.0 0 171 9h 0D1533 74.0 0.0 92.5 FIXEDHF 0.800 0 0.0 0 2p6 11p -2p5 3p2 172 9h 2D1533 -59.8 0.0 -74.7 FIXEDHF 0.800 0 0.0 0 173 Ae 1D1522 -134.8 0.0 -168.5 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s2 174 Af 1D1524 -32.7 0.0 -40.9 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3s3d 175 Af 1E1524 -51.4 0.0 -64.2 FIXEDHF 0.800 0 0.0 0 176 Ag 1D1544 -45.4 0.0 -56.8 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3d2 177 Ag 3D1544 -23.3 0.0 -29.1 FIXEDHF 0.800 0 0.0 0 178 Ah 0D1533 64.3 0.0 80.4 FIXEDHF 0.800 0 0.0 0 2p6 12p -2p5 3p2 179 Ah 2D1533 -51.8 0.0 -64.7 FIXEDHF 0.800 0 0.0 0 180 Be 1D1522 -118.3 0.0 -147.9 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s2 181 Bf 1D1524 -28.6 0.0 -35.8 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3s3d 182 Bf 1E1524 -45.2 0.0 -56.5 FIXEDHF 0.800 0 0.0 0 183 Bg 1D1544 -39.8 0.0 -49.8 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3d2 184 Bg 3D1544 -20.5 0.0 -25.6 FIXEDHF 0.800 0 0.0 0 185 Bh 0D1533 56.6 0.0 70.7 FIXEDHF 0.800 0 0.0 0 2p6 13p -2p5 3p2 186 Bh 2D1533 -45.4 0.0 -56.8 FIXEDHF 0.800 0 0.0 0 187 Ce 1D1522 -105.0 0.0 -131.3 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s2 188 Cf 1D1524 -25.4 0.0 -31.7 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3s3d 189 Cf 1E1524 -40.2 0.0 -50.2 FIXEDHF 0.800 0 0.0 0 190 Cg 1D1544 -35.3 0.0 -44.1 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3d2 191 Cg 3D1544 -18.2 0.0 -22.7 FIXEDHF 0.800 0 0.0 0 192 Ch 0D1533 50.2 0.0 62.8 FIXEDHF 0.800 0 0.0 0 2p6 14p -2p5 3p2 193 Ch 2D1533 -40.2 0.0 -50.3 FIXEDHF 0.800 0 0.0 0 194 Df 1D1624 329.8 0.0 412.2 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3s3d 195 Df 3E1624 10.2 0.0 12.7 FIXEDHF 0.800 0 0.0 0 196 Dg 1D1644 162.7 0.0 203.4 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3d2 197 Dg 3D1644 24.2 0.0 30.2 FIXEDHF 0.800 0 0.0 0 198 Dh 2D1633 67.1 0.0 83.9 FIXEDHF 0.800 0 0.0 0 2p6 4f -2p5 3p2 199 Ef 1D1624 236.4 0.0 295.5 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3s3d 200 Ef 3E1624 9.2 0.0 11.5 FIXEDHF 0.800 0 0.0 0 201 Eg 1D1644 129.5 0.0 161.9 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3d2 202 Eg 3D1644 21.0 0.0 26.2 FIXEDHF 0.800 0 0.0 0 203 Eh 2D1633 59.0 0.0 73.7 FIXEDHF 0.800 0 0.0 0 2p6 5f -2p5 3p2 204 Ff 1D1624 178.5 0.0 223.1 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3s3d 205 Ff 3E1624 7.8 0.0 9.7 FIXEDHF 0.800 0 0.0 0 206 Fg 1D1644 102.4 0.0 128.0 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3d2 207 Fg 3D1644 17.3 0.0 21.6 FIXEDHF 0.800 0 0.0 0 208 Fh 2D1633 48.9 0.0 61.1 FIXEDHF 0.800 0 0.0 0 2p6 6f -2p5 3p2 209 Gf 1D1624 140.7 0.0 175.9 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3s3d 210 Gf 3E1624 6.5 0.0 8.1 FIXEDHF 0.800 0 0.0 0 211 Gg 1D1644 82.8 0.0 103.5 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3d2 212 Gg 3D1644 14.3 0.0 17.9 FIXEDHF 0.800 0 0.0 0 213 Gh 2D1633 40.6 0.0 50.8 FIXEDHF 0.800 0 0.0 0 2p6 7f -2p5 3p2 214 Hf 1D1624 114.7 0.0 143.4 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3s3d 215 Hf 3E1624 5.5 0.0 6.9 FIXEDHF 0.800 0 0.0 0 216 Hg 1D1644 68.6 0.0 85.7 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3d2 217 Hg 3D1644 12.1 0.0 15.1 FIXEDHF 0.800 0 0.0 0 218 Hh 2D1633 34.2 0.0 42.8 FIXEDHF 0.800 0 0.0 0 2p6 8f -2p5 3p2 219 If 1D1624 95.8 0.0 119.8 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3s3d 220 If 3E1624 4.7 0.0 5.9 FIXEDHF 0.800 0 0.0 0 221 Ig 1D1644 57.8 0.0 72.3 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3d2 222 Ig 3D1644 10.2 0.0 12.8 FIXEDHF 0.800 0 0.0 0 223 Ih 2D1633 29.2 0.0 36.5 FIXEDHF 0.800 0 0.0 0 2p6 9f -2p5 3p2 224 Jf 1D1624 81.6 0.0 102.0 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3s3d 225 Jf 3E1624 4.1 0.0 5.1 FIXEDHF 0.800 0 0.0 0 226 Jg 1D1644 49.6 0.0 62.0 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3d2 227 Jg 3D1644 8.9 0.0 11.1 FIXEDHF 0.800 0 0.0 0 228 Jh 2D1633 25.3 0.0 31.6 FIXEDHF 0.800 0 0.0 0 2p6 10f -2p5 3p2 229 Kf 1D1624 70.6 0.0 88.3 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3s3d 230 Kf 3E1624 3.6 0.0 4.5 FIXEDHF 0.800 0 0.0 0 231 Kg 1D1644 43.2 0.0 54.0 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3d2 232 Kg 3D1644 7.8 0.0 9.7 FIXEDHF 0.800 0 0.0 0 233 Kh 2D1633 22.1 0.0 27.6 FIXEDHF 0.800 0 0.0 0 2p6 11f -2p5 3p2 234 Lf 1D1624 61.9 0.0 77.4 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3s3d 235 Lf 3E1624 3.2 0.0 4.0 FIXEDHF 0.800 0 0.0 0 236 Lg 1D1644 38.0 0.0 47.5 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3d2 237 Lg 3D1644 6.9 0.0 8.6 FIXEDHF 0.800 0 0.0 0 238 Lh 2D1633 19.5 0.0 24.4 FIXEDHF 0.800 0 0.0 0 2p6 12f -2p5 3p2 239 Mf 1D1624 54.9 0.0 68.6 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3s3d 240 Mf 3E1624 2.9 0.0 3.6 FIXEDHF 0.800 0 0.0 0 241 Mg 1D1644 33.8 0.0 42.2 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3d2 242 Mg 3D1644 6.1 0.0 7.6 FIXEDHF 0.800 0 0.0 0 243 Mh 2D1633 17.4 0.0 21.8 FIXEDHF 0.800 0 0.0 0 2p6 13f -2p5 3p2 244 Nf 1D1624 49.0 0.0 61.3 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3s3d 245 Nf 3E1624 2.6 0.0 3.2 FIXEDHF 0.800 0 0.0 0 246 Ng 1D1644 30.2 0.0 37.8 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3d2 247 Ng 3D1644 5.5 0.0 6.9 FIXEDHF 0.800 0 0.0 0 248 Nh 2D1633 15.7 0.0 19.6 FIXEDHF 0.800 0 0.0 0 2p6 14f -2p5 3p2 249 Og 3D1744 0.3 0.0 0.4 FIXEDHF 0.800 0 0.0 0 2p6 6h -2p5 3d2 250 Pg 3D1744 0.3 0.0 0.4 FIXEDHF 0.800 0 0.0 0 2p6 7h -2p5 3d2 251 Qg 3D1744 0.3 0.0 0.4 FIXEDHF 0.800 0 0.0 0 2p6 8h -2p5 3d2 252 Rg 3D1744 0.3 0.0 0.4 FIXEDHF 0.800 0 0.0 0 2p6 9h -2p5 3d2 253 Sg 3D1744 0.3 0.0 0.4 FIXEDHF 0.800 0 0.0 0 2p6 10h -2p5 3d2 254 Tg 3D1744 0.2 0.0 0.3 FIXEDHF 0.800 0 0.0 0 2p6 11h -2p5 3d2 255 Ug 3D1744 0.2 0.0 0.3 FIXEDHF 0.800 0 0.0 0 2p6 12h -2p5 3d2 256 Vg 3D1744 0.2 0.0 0.3 FIXEDHF 0.800 0 0.0 0 2p6 13h -2p5 3d2 257 Wg 3D1744 0.2 0.0 0.3 FIXEDHF 0.800 0 0.0 0 2p6 14h -2p5 3d2 258 ef 2D1214 1175.3 0.0 1469.1 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3s3d 259 ef 1E1214 -19.3 0.0 -24.1 FIXEDHF 0.800 0 0.0 0 260 eg 2D2244 9895.3 0.0 12369.1 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3d2 261 eh 1D2233 25324.0 0.0 31655.0 FIXEDHF 0.800 0 0.0 0 2p5 3s2 -2p5 3p2 262 fg 2D1214 2531.2 0.0 3164.0 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3d2 263 fg 1E1214 -96.7 0.0 -120.9 FIXEDHF 0.800 0 0.0 0 264 fg 2D2444 5646.1 0.0 7057.6 FIXEDHF 0.800 0 0.0 0 265 fh 1D2433 11172.4 0.0 13965.5 FIXEDHF 0.800 0 0.0 0 2p5 3s3d -2p5 3p2 266 gh 1D4433 16134.1 0.0 20167.6 FIXEDHF 0.800 0 0.0 0 2p5 3d2 -2p5 3p2 267 gh 3D4433 9398.0 0.0 11747.5 FIXEDHF 0.800 0 0.0 0 11.00 J 0.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 16956.170 16956.213 0.0 0.666 2p6.3p 2P 0.997 1(2P)2P 1 0.057 h(3P)2P 27 0.042 h(1D)2P 28 2 30266.99 30267.037 0.0 0.666 2p6.4p 2P 1.000 2(1S)2P 2 3 35040.38 35040.452 0.1 0.666 2p6.5p 2P 1.000 3(1S)2P 3 4 37296.32 37296.291 0.0 0.666 2p6.6p 2P 1.000 4(1S)2P 4 5 38540.18 38540.209 0.0 0.666 2p6.7p 2P -1.000 5(1S)2P 5 6 39298.35 39298.375 0.0 0.666 2p6.8p 2P -1.000 6(1S)2P 6 7 39794.479R 39794.537 0.1 0.666 2p6.9p 2P -1.000 7(1S)2P 7 8 40136.810 40136.781 0.0 0.666 2p6.10p 2P -1.000 8(1S)2P 8 9 40382.925 40382.929 0.0 0.666 2p6.11p 2P 1.000 9(1S)2P 9 10 40565.783R 40565.831 0.0 0.666 2p6.12p 2P 1.000 A(1S)2P 10 11 40705.344R 40705.354 0.0 0.666 2p6.13p 2P -1.000 B(1S)2P 11 12 40814.273R 40814.240 0.0 0.666 2p6.14p 2P -1.000 C(1S)2P 12 13 249489. 249528.814 39.8 0.666 2p5.3s2 2P -0.975 e(2P)2P 13 -0.222 h(1S)2P 29 14 290234. 290734.118 0.665 3s3P3d 2P -0.886 f(3P)2P 17 0.372 h(1D)2P 28 0.209 f(1P)2P 16 15 292219.6 292232.034 12.4 2.554 3s3P3d 4P 0.978 f(3P)4P 15 -0.208 f(3P)4D 14 16 293133.1 293108.441 -24.7 0.151 3s3P3d 4D -0.939 f(3P)4D 14 0.275 f(1P)2P 16 -0.192 f(3P)4P 15 17 295526. 295527.756 1.8 0.631 3s1P3d 2P 0.896 f(1P)2P 16 0.307 f(3P)2P 17 0.266 f(3P)4D 14 18 298140.501 2.613 -0.972 h(3P)4P 26 0.184 h(3P)2S 30 0.106 h(3P)4D 25 19 299917.150 0.050 0.976 h(3P)4D 25 -0.118 h(3P)2P 27 0.102 h(3P)4P 26 20 301420.930 1.933 -0.946 h(3P)2S 30 -0.177 h(3P)4P 26 -0.170 h(3P)2P 27 J 0.5 21 302045.586 0.740 0.648 h(3P)2P 27 -0.564 h(1D)2P 28 -0.299 f(3P)2P 17 22 312356. 312164.925 -191.1 0.666 3p2(1S) 2P 0.828 h(1S)2P 29 -0.403 h(1D)2P 28 -0.235 h(3P)2P 27 23 318266.569 0.666 0.655 h(3P)2P 27 0.565 h(1D)2P 28 0.440 h(1S)2P 29 24 353425.011 -0.002 -0.995 g(3F)4D 18 -0.093 g(3P)4D 19 25 356259.806 0.750 -0.784 g(1D)2P 22 0.523 g(3P)2P 21 0.236 g(3P)4P 20 26 356528.193 2.138 0.773 g(3P)4P 20 -0.459 g(3P)2S 24 0.372 g(1D)2P 22 27 356821.161 0.854 0.678 g(3P)2P 21 0.473 g(1D)2P 22 0.382 g(3P)2S 24 28 357930.060 0.632 -0.814 g(3P)4D 19 -0.375 g(3P)2S 24 -0.335 g(3P)4P 20 29 358045.939 1.628 -0.702 g(3P)2S 24 -0.437 g(3P)4P 20 0.410 g(3P)2P 21 30 365728.013 0.666 -0.970 g(1S)2P 23 0.230 h(1S)2P 29 -0.068 e(2P)2P 13 30 VECTORS WRITTEN TO UNIT 3 11.00 J 1.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 16973.366 16973.313 -0.1 1.334 2p6.3p 2P 0.997 1(2P)2P 1 0.057 h(3P)2P 37 0.042 h(1D)2P 38 2 30272.58 30272.588 0.0 1.334 2p6.4p 2P 1.000 2(1S)2P 2 3 35042.85 35042.853 0.0 1.334 2p6.5p 2P 1.000 3(1S)2P 3 4 37297.61 37297.641 0.0 1.334 2p6.6p 2P 1.000 4(1S)2P 4 5 38540.93 38540.960 0.0 1.334 2p6.7p 2P -1.000 5(1S)2P 5 6 39298.84 39298.900 0.1 1.334 2p6.8p 2P 1.000 6(1S)2P 6 7 39794.810R 39794.852 0.0 1.334 2p6.9p 2P -1.000 7(1S)2P 7 8 40137.043 40136.991 -0.1 1.334 2p6.10p 2P -1.000 8(1S)2P 8 9 40383.097 40383.139 0.0 1.334 2p6.11p 2P 1.000 9(1S)2P 9 10 40565.913R 40565.936 0.0 1.334 2p6.12p 2P 1.000 A(1S)2P 10 11 40705.444R 40705.459 0.0 1.334 2p6.13p 2P -1.000 B(1S)2P 11 12 40814.352R 40814.390 0.0 1.334 2p6.14p 2P 1.000 C(1S)2P 12 13 248170. 248129.627 -40.4 1.334 2p5.3s2 2P -0.975 e(2P)2P 13 -0.222 h(1S)2P 39 14 290489. 290886.467 1.148 3s3P3d 2P -0.718 f(3P)2P 20 0.533 f(3P)2D 18 0.298 h(1D)2P 38 15 292090. 292091.831 1.8 0.980 3s3P3d 2D -0.748 f(3P)2D 18 -0.543 f(3P)2P 20 0.272 h(1D)2D 36 16 292289.2 292301.357 12.2 1.623 3s3P3d 4P 0.896 f(3P)4P 16 -0.432 f(3P)4D 15 0.089 f(3P)4F 14 17 293010.3 293004.072 -6.2 0.967 3s3P3d 4D 0.655 f(3P)4D 15 -0.607 f(3P)4F 14 0.366 f(3P)4P 16 18 293528. 293528.495 0.5 0.764 3s3P3d 4F -0.751 f(3P)4F 14 -0.577 f(3P)4D 15 -0.196 f(3P)4P 16 19 295294. 295270.790 -23.2 1.232 3s1P3d 2P -0.839 f(1P)2P 19 -0.396 f(1P)2D 17 -0.202 f(3P)2P 20 20 295749. 295729.337 -19.7 0.887 3s1P3d 2D 0.849 f(1P)2D 17 -0.359 f(1P)2P 19 0.225 f(3P)2D 18 J 1.5 21 297906.580 1.722 -0.968 h(3P)4P 33 0.172 h(3P)4D 32 0.138 h(3P)4S 34 22 299491.749 1.112 -0.851 h(3P)4D 32 -0.495 h(3P)2D 35 -0.132 h(3P)4P 33 23 300589.094 0.929 -0.849 h(3P)2D 35 0.467 h(3P)4D 32 -0.129 h(3P)4S 34 24 301320.798 1.918 0.931 h(3P)4S 34 0.204 h(3P)2P 37 -0.145 h(1D)2P 38 25 302458.810 1.386 0.643 h(3P)2P 37 -0.541 h(1D)2P 38 -0.297 f(3P)2P 20 26 307621.626 0.808 -0.906 h(1D)2D 36 -0.310 f(3P)2D 18 0.224 f(1P)2D 17 27 310981. 311173.810 192.8 1.331 3p2(1S) 2P -0.862 h(1S)2P 39 0.363 h(1D)2P 38 -0.215 g(1S)2P 31 28 318451.581 1.333 0.671 h(3P)2P 37 0.609 h(1D)2P 38 0.348 h(1S)2P 39 29 353453.647 1.144 0.954 g(3F)4D 22 -0.247 g(3F)4F 21 -0.136 g(3F)2D 26 30 353777.789 0.591 -0.728 g(3F)4F 21 0.677 g(3F)2D 26 -0.091 g(3F)4D 22 31 355148.137 0.666 0.709 g(3F)2D 26 0.638 g(3F)4F 21 0.259 g(3F)4D 22 32 356251.312 1.307 -0.519 g(3P)4P 24 0.507 g(1D)2P 30 -0.482 g(1D)2D 28 33 356382.812 1.409 -0.666 g(3P)4P 24 0.496 g(1D)2D 28 -0.418 g(1D)2P 30 34 356632.461 0.889 -0.871 g(3P)2D 27 -0.460 g(3P)4D 23 0.105 g(3F)2D 26 35 356820.431 1.533 -0.677 g(3P)2P 29 -0.589 g(3P)4S 25 0.287 g(1D)2D 28 36 357758.840 1.154 0.689 g(1D)2P 30 0.626 g(1D)2D 28 0.251 g(3P)4S 25 37 357921.183 1.295 -0.748 g(3P)4D 23 0.407 g(3P)2D 27 -0.362 g(3P)4P 24 38 358159.126 1.616 -0.637 g(3P)4S 25 0.575 g(3P)2P 29 -0.298 g(3P)4P 24 39 364320.621 1.334 -0.969 g(1S)2P 31 0.229 h(1S)2P 39 -0.068 e(2P)2P 13 39 VECTORS WRITTEN TO UNIT 3 11.00 J 2.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 34586.92 34586.950 0.0 0.857 2p6.4f 2F 1.000 D(1S)2F 1 2 37057.65 37057.618 0.0 0.857 2p6.5f 2F -1.000 E(1S)2F 2 3 38399.79 38399.752 0.0 0.857 2p6.6f 2F -1.000 F(1S)2F 3 4 39208.98 39208.970 0.0 0.857 2p6.7f 2F 1.000 G(1S)2F 4 5 39734.16 39734.180 0.0 0.857 2p6.8f 2F 1.000 H(1S)2F 5 6 40094.19 40094.186 0.0 0.857 2p6.9f 2F -1.000 I(1S)2F 6 7 40351.761P 40351.790 0.0 0.857 2p6.10f 2F 1.000 J(1S)2F 7 8 40542.293P 40542.292 0.0 0.857 2p6.11f 2F -1.000 K(1S)2F 8 9 40687.203P 40687.194 0.0 0.857 2p6.12f 2F -1.000 L(1S)2F 9 10 40799.974P 40799.995 0.0 0.857 2p6.13f 2F 1.000 M(1S)2F 10 11 40889.452P 40889.496 0.0 0.857 2p6.14f 2F -1.000 N(1S)2F 11 12 290969.511 1.071 0.710 f(3P)2D 18 -0.554 f(3P)2F 16 -0.286 h(1D)2D 34 13 291968.281 0.995 0.724 f(3P)2F 16 0.571 f(3P)2D 18 -0.290 h(1D)2F 32 14 292399.4 292407.805 8.4 1.438 3s3P3d 4D -0.674 f(3P)4D 13 0.665 f(3P)4P 14 0.316 f(3P)4F 12 15 292913.9 292907.201 -6.7 1.226 3s3P3d 4F 0.765 f(3P)4F 12 -0.558 f(3P)4P 14 -0.206 f(1P)2D 17 16 293529.858 1.303 -0.693 f(3P)4D 13 -0.507 f(3P)4F 12 -0.449 f(3P)4P 14 17 295279.926 0.905 0.893 f(1P)2F 15 0.282 f(1P)2D 17 0.188 f(3P)2F 16 18 295740. 295784.356 44.4 1.180 3s1P3d 2D 0.885 f(1P)2D 17 -0.259 f(1P)2F 15 0.258 f(3P)2D 18 19 297585.256 1.591 -0.976 h(3P)4P 31 0.177 h(3P)4D 30 -0.091 g(3P)4P 23 20 299168.711 1.352 0.913 h(3P)4D 30 0.373 h(3P)2D 33 0.134 h(3P)4P 31 J 2.5 21 301037.423 1.230 -0.917 h(3P)2D 33 0.355 h(3P)4D 30 0.141 h(3P)4P 31 22 306312.184 0.954 -0.760 h(1D)2F 32 0.486 h(1D)2D 34 -0.289 f(3P)2F 16 23 307594.067 1.103 0.772 h(1D)2D 34 0.480 h(1D)2F 32 0.265 f(3P)2D 18 24 353503.854 1.296 0.873 g(3F)4D 21 -0.420 g(3F)4F 20 -0.183 g(3F)2D 27 25 353723.349 0.860 0.568 g(3F)2F 24 -0.542 g(3F)4G 19 0.528 g(3F)4F 20 26 353833.040 1.058 0.742 g(3F)2D 27 0.510 g(3F)2F 24 -0.357 g(3F)4F 20 27 355009.102 0.752 -0.766 g(3F)4G 19 -0.453 g(3F)4F 20 -0.370 g(3F)2F 24 28 355097.039 1.064 -0.523 g(3F)2D 27 0.507 g(3F)2F 24 -0.457 g(3F)4F 20 29 356172.831 1.564 -0.938 g(3P)4P 23 0.236 g(3P)4D 22 -0.204 g(3P)2D 28 30 356222.475 1.069 0.755 g(1D)2D 29 -0.478 g(1D)2F 26 -0.404 g(1G)2F 25 31 356525.069 0.930 0.885 g(1G)2F 25 0.438 g(1D)2D 29 -0.082 g(3P)4D 22 32 356601.400 1.292 0.727 g(3P)4D 22 0.649 g(3P)2D 28 -0.126 g(3F)4D 21 33 357721.050 0.927 -0.867 g(1D)2F 26 -0.446 g(1D)2D 29 0.183 g(1G)2F 25 34 357939.896 1.305 0.715 g(3P)2D 28 -0.613 g(3P)4D 22 -0.311 g(3P)4P 23 34 VECTORS WRITTEN TO UNIT 3 11.00 J 3.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 34586.92 34586.950 0.0 1.143 2p6.4f 2F 1.000 D(1S)2F 1 2 37057.65 37057.618 0.0 1.143 2p6.5f 2F 1.000 E(1S)2F 2 3 38399.79 38399.752 0.0 1.143 2p6.6f 2F 1.000 F(1S)2F 3 4 39208.98 39208.970 0.0 1.143 2p6.7f 2F 1.000 G(1S)2F 4 5 39734.16 39734.180 0.0 1.143 2p6.8f 2F -1.000 H(1S)2F 5 6 40094.19 40094.186 0.0 1.143 2p6.9f 2F -1.000 I(1S)2F 6 7 40351.761P 40351.790 0.0 1.143 2p6.10f 2F 1.000 J(1S)2F 7 8 40542.293P 40542.292 0.0 1.143 2p6.11f 2F -1.000 K(1S)2F 8 9 40687.203P 40687.194 0.0 1.143 2p6.12f 2F 1.000 L(1S)2F 9 10 40799.974P 40799.995 0.0 1.143 2p6.13f 2F 1.000 M(1S)2F 10 11 40889.452P 40889.496 0.0 1.143 2p6.14f 2F -1.000 N(1S)2F 11 12 290666.729 1.144 0.889 f(3P)2F 15 -0.397 h(1D)2F 26 -0.215 f(1P)2F 14 13 292449.7 292450.304 0.6 1.320 3s3P3d 4F -0.758 f(3P)4F 12 0.651 f(3P)4D 13 -0.040 f(1P)2F 14 14 293032.083 1.336 -0.738 f(3P)4D 13 -0.620 f(3P)4F 12 -0.258 f(1P)2F 14 15 295597.317 1.155 0.905 f(1P)2F 14 0.303 f(3P)2F 15 -0.196 f(3P)4F 12 16 298831.308 1.430 -0.996 h(3P)4D 25 -0.094 g(3P)4D 19 17 305595.442 1.143 -0.898 h(1D)2F 26 -0.340 f(3P)2F 15 0.256 f(1P)2F 14 18 353572.455 1.141 -0.512 g(3F)4G 16 0.508 g(3F)4F 17 -0.490 g(3F)4D 18 19 353588.075 1.104 0.652 g(3F)2G 20 -0.503 g(3F)4D 18 0.375 g(3F)4F 17 20 353724.497 1.123 0.642 g(3F)2F 22 0.450 g(3F)4F 17 0.404 g(3F)2G 20 J 3.5 21 354972.617 1.206 -0.629 g(3F)4F 17 -0.502 g(3F)4D 18 -0.447 g(3F)4G 16 22 355048.512 1.111 -0.667 g(3F)2F 22 -0.536 g(3F)4G 16 0.372 g(3F)4D 18 23 356189.178 1.139 0.942 g(1D)2F 24 0.287 g(1G)2F 23 -0.131 g(1G)2G 21 24 356558.832 1.429 0.976 g(3P)4D 19 -0.184 g(3F)4D 18 -0.092 h(3P)4D 25 25 356871.310 1.051 0.734 g(1G)2F 23 -0.603 g(1G)2G 21 -0.305 g(1D)2F 24 26 358261.679 0.986 -0.787 g(1G)2G 21 -0.611 g(1G)2F 23 0.077 g(1D)2F 24 26 VECTORS WRITTEN TO UNIT 3 11.00 J 4.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 38401.153P 38401.200 0.0 0.909 2p6.6h 2H 1.000 O(1S)2H 1 2 39209.887P 39209.900 0.0 0.909 2p6.7h 2H 1.000 P(1S)2H 2 3 39734.790P 39734.800 0.0 0.909 2p6.8h 2H -1.000 Q(1S)2H 3 4 40094.660P 40094.700 0.0 0.909 2p6.9h 2H 1.000 R(1S)2H 4 5 40352.073P 40352.100 0.0 0.909 2p6.10h 2H 1.000 S(1S)2H 5 6 40542.529P 40542.500 0.0 0.909 2p6.11h 2H 1.000 T(1S)2H 6 7 40687.386P 40687.400 0.0 0.909 2p6.12h 2H 1.000 U(1S)2H 7 8 40800.118P 40800.100 0.0 0.909 2p6.13h 2H -1.000 V(1S)2H 8 9 40889.568P 40889.600 0.0 0.909 2p6.14h 2H -1.000 W(1S)2H 9 10 292340.6 292338.603 -2.0 1.334 3s3P3d 4F -1.000 f(3P)4F 10 11 353546.945 1.160 -0.839 g(3F)4G 11 -0.517 g(3F)2G 14 0.169 g(3F)4F 12 12 353667.426 1.266 0.829 g(3F)4F 12 0.535 g(3F)2G 14 -0.163 g(3F)4G 11 13 355019.452 1.191 -0.668 g(3F)2G 14 0.533 g(3F)4F 12 0.519 g(3F)4G 11 14 356897.525 1.013 -0.715 g(1G)2G 15 0.699 g(1G)2H 13 15 358148.205 1.008 -0.715 g(1G)2H 13 -0.699 g(1G)2G 15 15 VECTORS WRITTEN TO UNIT 3 11.00 J 5.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 38401.147P 38401.200 0.1 1.091 2p6.6h 2H 1.000 O(1S)2H 1 2 39209.887P 39209.900 0.0 1.091 2p6.7h 2H 1.000 P(1S)2H 2 3 39734.790P 39734.800 0.0 1.091 2p6.8h 2H 1.000 Q(1S)2H 3 4 40094.660P 40094.700 0.0 1.091 2p6.9h 2H 1.000 R(1S)2H 4 5 40352.073P 40352.100 0.0 1.091 2p6.10h 2H 1.000 S(1S)2H 5 6 40542.529P 40542.500 0.0 1.091 2p6.11h 2H 1.000 T(1S)2H 6 7 40687.386P 40687.400 0.0 1.091 2p6.12h 2H -1.000 U(1S)2H 7 8 40800.118P 40800.100 0.0 1.091 2p6.13h 2H -1.000 V(1S)2H 8 9 40889.568P 40889.600 0.0 1.091 2p6.14h 2H -1.000 W(1S)2H 9 10 353514.684 1.273 -1.000 g(3F)4G 10 11 356500.983 1.091 -1.000 g(1G)2H 11 11 VECTORS WRITTEN TO UNIT 3 11.00 J 6.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 39734.837P 39734.800 0.0 0.933 2p6.8k 2K 1.000 X(1S)2K 1 2 40094.694P 40094.700 0.0 0.933 2p6.9k 2K 1.000 Y(1S)2K 2 3 40352.098P 40352.100 0.0 0.933 2p6.10k 2K 1.000 Z(1S)2K 3 4 40542.548P 40542.500 0.0 0.933 2p6.11k 2K 1.000 a(1S)2K 4 5 40687.401P 40687.400 0.0 0.933 2p6.12k 2K 1.000 b(1S)2K 5 6 40800.130P 40800.100 0.0 0.933 2p6.13k 2K 1.000 c(1S)2K 6 7 40889.578P 40889.600 0.0 0.933 2p6.14k 2K 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 11.00 J 7.5 1 2p6 3p 2 2p6 4p 3 2p6 5p 4 2p6 6p 5 2p6 7p 6 2p6 8p 7 2p6 9p 8 2p6 10p 9 2p6 11p A 2p6 12p B 2p6 13p C 2p6 14p D 2p6 4f E 2p6 5f F 2p6 6f G 2p6 7f H 2p6 8f I 2p6 9f J 2p6 10f K 2p6 11f L 2p6 12f M 2p6 13f N 2p6 14f O 2p6 6h P 2p6 7h Q 2p6 8h R 2p6 9h S 2p6 10h T 2p6 11h U 2p6 12h V 2p6 13h W 2p6 14h X 2p6 8k Y 2p6 9k Z 2p6 10k a 2p6 11k b 2p6 12k c 2p6 13k d 2p6 14k e 2p5 3s2 f 2p5 3s3d g 2p5 3d2 h 2p5 3p2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 39734.837P 39734.800 0.0 1.067 2p6.8k 2K 1.000 X(1S)2K 1 2 40094.694P 40094.700 0.0 1.067 2p6.9k 2K 1.000 Y(1S)2K 2 3 40352.098P 40352.100 0.0 1.067 2p6.10k 2K 1.000 Z(1S)2K 3 4 40542.548P 40542.500 0.0 1.067 2p6.11k 2K 1.000 a(1S)2K 4 5 40687.401P 40687.400 0.0 1.067 2p6.12k 2K 1.000 b(1S)2K 5 6 40800.130P 40800.100 0.0 1.067 2p6.13k 2K 1.000 c(1S)2K 6 7 40889.578P 40889.600 0.0 1.067 2p6.14k 2K 1.000 d(1S)2K 7 7 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 8-SEP-2012 11:36:02.63 Accounting information: Buffered I/O count: 154 Peak working set size: 9424 Direct I/O count: 262 Peak virtual size: 322592 Page faults: 2068 Mounted volumes: 0 Charged CPU time: 0 00:00:00.22 Elapsed time: 0 00:00:02.23