$ Set NoOn $ VERIFY = F$VERIFY(F$TRNLNM("SYLOGIN_VERIFY")) X11 Setup (03/96): Executing ... M X11 Setup (03/96): Runtime Setup Done %DCL-W-UNDSYM, undefined symbol - check validity and spelling %DCL-W-PARMDEL, invalid parameter delimiter - check use of special characters \$\ $ IF "BATCH" .EQS. "BATCH" THEN EXIT $SET0600 $SET VERIFY=NOIMAGE $ASSIGN 0600:B0600OR.PUN FOR007 $ASSIGN 0600:H0600OR.HAM FOR001 $ASSIGN B0600OR.EIG FOR003 $ASSIGN POOLG:B0600O15 FOR015 $ASSIGN POOLG:B0600E16 FOR016 $ASSIGN EAV0600OP.DAT FOR066 $RUN CRAY:LEAST3007 NPAR 198 NJ 9 FIRSTJ 0.0 1 s 2 p 1 s 1 d 0 g 0 i 0 l 0 n 0 2 s 2 p 1 s 1 d 0 g 0 i 0 l 0 n 0 3 s 2 p 1 s 1 d 0 g 0 i 0 l 0 n 0 4 s 2 p 1 s 1 d 0 g 0 i 0 l 0 n 0 5 s 2 p 1 s 1 d 0 g 0 i 0 l 0 n 0 6 s 2 p 1 s 1 d 0 g 0 i 0 l 0 n 0 7 s 2 p 1 s 1 d 0 g 0 i 0 l 0 n 0 8 s 2 p 1 s 1 d 0 g 0 i 0 l 0 n 0 9 s 2 p 1 s 0 d 1 g 0 i 0 l 0 n 0 A s 2 p 1 s 0 d 1 g 0 i 0 l 0 n 0 B s 2 p 1 s 0 d 1 g 0 i 0 l 0 n 0 C s 2 p 1 s 0 d 1 g 0 i 0 l 0 n 0 D s 2 p 1 s 0 d 1 g 0 i 0 l 0 n 0 E s 2 p 1 s 0 d 1 g 0 i 0 l 0 n 0 F s 2 p 1 s 0 d 1 g 0 i 0 l 0 n 0 G s 2 p 1 s 0 d 1 g 0 i 0 l 0 n 0 H s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 I s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 J s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 K s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 L s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 M s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 N s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 O s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 P s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 Q s 2 p 1 s 0 d 0 g 1 i 0 l 0 n 0 R s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 S s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 T s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 U s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 V s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 W s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 X s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 Y s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 Z s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 a s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 b s 2 p 1 s 0 d 0 g 0 i 1 l 0 n 0 LS STATES FOR LOWEST CONFIGURATION 0.0 1(2P)3P 1 1.0 1(2P)3P 1 1.0 1(2P)1P 2 2.0 1(2P)3P 1 TOTAL 4 16 40 50 54 59 63 54 33 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 380 63 1 0 16 56 106 160 219 282 336 369 380 380 380 380 380 380 380 380 380 380 380 380 380 380 0 1 2 3 notation l>2 (Jparent-0.5) [K-0.5] i.e. 2p6g 0[3], 2p6g 0[3] 4 5 6 7 8 9 1 0 0 0 0.250 2.500 1 0.8 40 100 110 110 82 90 90 90 90 90 10 0 0 0 0 0 0 0 0 0 0 0 0 1 0.8 16 40 50 54 59 63 54 33 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6.00 2p13s 2p14s 2p15s 2p16s 2p17s 2p18s 2p19s 2p20s 2p13d 2p14d 2p15d 2p16d 2p17d 2p18d 2p19d 2p20d 2p11g 2p12g 2p13g 2p14g 2p15g 2p16g 2p17g 2p18g 2p19g 2p20g 2p10i 2p11i 2p12i 2p13i 2p14i 2p15i 2p16i 2p17i 2p18i 2p19i 2p20i SENORITY MIXING CORRECTIONS 0 0.0 -90051.616R 2p13s 3P 2p13s 3P RITZ 0 0.0 -90165.831R 2p14s 3P 2p14s 3P RITZ 0 0.0 -90234.584R 2p13d 3P 2p13d 3P RITZ 0 0.0 -90256.357R 2p15s 3P 2p15s 3P RITZ 0 0.0 -90323.987R 2p14d 3P 2p14d 3P RITZ 0 0.0 -90329.321R 2p16s 3P 2p16s 3P RITZ 0 0.0 -90388.990R 2p17s 3P 2p17s 3P RITZ 0 0.0 -90396.125R 2p15d 3P 2p15d 3P RITZ 0 0.0 -90438.408R 2p18s 3P 2p18s 3P RITZ 0 0.0 -90455.171R 2p16d 3P 2p16d 3P RITZ 0 0.0 -90479.795R 2p19s 3P 2p19s 3P RITZ 0 0.0 -90504.111R 2p17d 3P 2p17d 3P RITZ 0 0.0 -90514.803R 2p20s 3P 2p20s 3P RITZ 0 0.0 -90545.125R 2p18d 3P 2p18d 3P RITZ 0 0.0 -90579.838R 2p19d 3P 2p19d 3P RITZ 0 0.0 -90609.476R 2p20d 3P 2p20d 3P RITZ 0 1.0 -90052.902R 2p13s 3P 2p13s 3P RITZ 0 1.0 90116.0 2p13s 1P 2p13s 1P 0 1.0 -90166.858R 2p14s 3P 2p14s 3P RITZ 0 1.0 90167.98 2p13d 3D 2p13d 3D 0 1.0 90229.78 2p14s 1P 2p14s 1P 0 1.0 -90234.536R 2p13d 3P 2p13d 3P RITZ 0 1.0 90231.47 2p13d 1P 2p13d 1P 0 1.0 -90257.189R 2p15s 3P 2p15s 3P RITZ 0 1.0 90260.18 2p14d 3D 2p14d 3D 0 1.0 -90320.183R 2p15s 1P 2p15s 1P RITZ 0 1.0 -90323.981R 2p14d 3P 2p14d 3P RITZ 0 1.0 90322.33 2p14d 1P 2p14d 1P 0 1.0 -90330.004R 2p16s 3P 2p16s 3P RITZ 0 1.0 -90330.564R 2p15d 3D 2p15d 3D RITZ 0 1.0 -90389.556R 2p17s 3P 2p17s 3P RITZ 0 1.0 -90390.004R 2p16d 3D 2p16d 3D RITZ 0 1.0 -90393.048R 2p16s 1P 2p16s 1P RITZ 0 1.0 -90396.141R 2p15d 3P 2p15d 3P RITZ 0 1.0 90395.50 2p15d 1P 2p15d 1P 0 1.0 -90438.883R 2p18s 3P 2p18s 3P RITZ 0 1.0 -90439.246R 2p17d 3D 2p17d 3D RITZ 0 1.0 -90452.647R 2p17s 1P 2p17s 1P RITZ 0 1.0 -90455.198R 2p16d 3P 2p16d 3P RITZ 0 1.0 90454.40 2p16d 1P 2p16d 1P 0 1.0 -90480.198R 2p19s 3P 2p19s 3P RITZ 0 1.0 -90480.496R 2p18d 3D 2p18d 3D RITZ 0 1.0 -90502.647R 2p18s 1P 2p18s 1P RITZ 0 1.0 -90504.143R 2p17d 3P 2p17d 3P RITZ 0 1.0 90502.53 2p17d 1P 2p17d 1P 0 1.0 -90515.396R 2p19d 3D 2p19d 3D RITZ 0 1.0 -90515.147R 2p20s 3P 2p20s 3P RITZ 0 1.0 -90543.365R 2p19s 1P 2p19s 1P RITZ 0 1.0 -90545.160R 2p18d 3P 2p18d 3P RITZ 0 1.0 90544.85 2p18d 1P 2p18d 1P 0 1.0 -90545.184R 2p20d 3D 2p20d 3D RITZ 0 1.0 90579.3 2p19d 1P 2p19d 1P 0 1.0 -90578.345R 2p20s 1P 2p20s 1P RITZ 0 1.0 -90579.872R 2p19d 3P 2p19d 3P RITZ 0 1.0 -90609.509R 2p20d 3P 2p20d 3P RITZ 0 1.0 90609.6 2p20d 1P 2p20d 1P 0 2.0 89977.329P 2p11g 1[2] 2p11g 1[2] POLARIZATION 0 2.0 90109.971R 2p13s 3P 2p13s 3P RITZ 0 2.0 90122.106P 2p12g 1[2] 2p12g 1[2] POLARIZATION 0 2.0 90165.063R 2p13d 3F 2p13d 3F RITZ 0 2.0 -90161.415R 2p13d 1D 2p13d 1D RITZ 0 2.0 -90228.281R 2p13d 3D 2p13d 3D RITZ 0 2.0 -90225.233R 2p14s 3P 2p14s 3P RITZ 0 2.0 -90232.309R 2p13d 3P 2p13d 3P RITZ 0 2.0 90234.782P 2p13g 1[2] 2p13g 1[2] POLARIZATION 0 2.0 90255.717R 2p14d 3F 2p14d 3F RITZ 0 2.0 -90252.983R 2p14d 1D 2p14d 1D RITZ 0 2.0 -90316.538R 2p15s 3P 2p15s 3P RITZ 0 2.0 -90318.966R 2p14d 3D 2p14d 3D RITZ 0 2.0 -90322.198R 2p14d 3P 2p14d 3P RITZ 0 2.0 90324.190P 2p14g 1[2] 2p14g 1[2] POLARIZATION 0 2.0 90326.686R 2p15d 1D 2p15d 1D RITZ 0 2.0 -90328.784R 2p15d 3F 2p15d 3F RITZ 0 2.0 -90388.535R 2p16d 3F 2p16d 3F RITZ 0 2.0 -90386.893R 2p16d 1D 2p16d 1D RITZ 0 2.0 -90390.093R 2p16s 3P 2p16s 3P RITZ 0 2.0 -90392.059R 2p15d 3D 2p15d 3D RITZ 0 2.0 90394.691R 2p15d 3P 2p15d 3P RITZ 0 2.0 90396.323P 2p15g 1[2] 2p15g 1[2] POLARIZATION 0 2.0 -90438.021R 2p17d 3F 2p17d 3F RITZ 0 2.0 -90436.712R 2p17d 1D 2p17d 1D RITZ 0 2.0 -90449.548R 2p17s 3P 2p17s 3P RITZ 0 2.0 -90451.831R 2p16d 3D 2p16d 3D RITZ 0 2.0 90454.004R 2p16d 3P 2p16d 3P RITZ 0 2.0 90455.359P 2p16g 1[2] 2p16g 1[2] POLARIZATION 0 2.0 -90479.464R 2p18d 3F 2p18d 3F RITZ 0 2.0 -90478.404R 2p18d 1D 2p18d 1D RITZ 0 2.0 -90499.414R 2p18s 3P 2p18s 3P RITZ 0 2.0 -90501.334R 2p17d 3D 2p17d 3D RITZ 0 2.0 -90503.148R 2p17d 3P 2p17d 3P RITZ 0 2.0 90504.289P 2p17g 1[2] 2p17g 1[2] POLARIZATION 0 2.0 90514.518R 2p19d 3F 2p19d 3F RITZ 0 2.0 -90513.648R 2p19d 1D 2p19d 1D RITZ 0 2.0 -90541.162R 2p19s 3P 2p19s 3P RITZ 0 2.0 -90542.792R 2p18d 3D 2p18d 3D RITZ 0 2.0 90544.322R 2p18d 3P 2p18d 3P RITZ 0 2.0 -90544.431R 2p20d 3F 2p20d 3F RITZ 0 2.0 -90543.708R 2p20d 1D 2p20d 1D RITZ 0 2.0 90545.293P 2p18g 1[2] 2p18g 1[2] POLARIZATION 0 2.0 90576.463R 2p20s 3P 2p20s 3P RITZ 0 2.0 -90577.858R 2p19d 3D 2p19d 3D RITZ 0 2.0 -90579.160R 2p19d 3P 2p19d 3P RITZ 0 2.0 90579.995P 2p19g 1[2] 2p19g 1[2] POLARIZATION 0 2.0 -90607.781R 2p20d 3D 2p20d 3D RITZ 0 2.0 90608.898R 2p20d 3P 2p20d 3P RITZ 0 2.0 90609.624P 2p20g 1[2] 2p20g 1[2] POLARIZATION 0 3.0 89913.103P 2p11g 0[3] 2p11g 0[3] POLARIZATION 0 3.0 89976.400P 2p11g 1[3] 2p11g 1[3] POLARIZATION 0 3.0 89977.330P 2p11g 1[2] 2p11g 1[2] POLARIZATION 0 3.0 90058.039P 2p12g 0[3] 2p12g 0[3] POLARIZATION 0 3.0 90121.389P 2p12g 1[3] 2p12g 1[3] POLARIZATION 0 3.0 90122.107P 2p12g 1[2] 2p12g 1[2] POLARIZATION 0 3.0 90165.61 2p13d 3F 2p13d 3F 0 3.0 90170.827P 2p13g 0[3] 2p13g 0[3] POLARIZATION 0 3.0 90228.366R 2p13d 3D 2p13d 3D RITZ 0 3.0 90230.79 2p13d 1F 2p13d 1F 0 3.0 90234.217P 2p13g 1[3] 2p13g 1[3] POLARIZATION 0 3.0 90234.783P 2p13g 1[2] 2p13g 1[2] POLARIZATION 0 3.0 90255.51 2p14d 3F 2p14d 3F 0 3.0 90260.318P 2p14g 0[3] 2p14g 0[3] POLARIZATION 0 3.0 90319.027R 2p14d 3D 2p14d 3D RITZ 0 3.0 90320.43 2p14d 1F 2p14d 1F 0 3.0 90323.737P 2p14g 1[3] 2p14g 1[3] POLARIZATION 0 3.0 90324.191P 2p14g 1[2] 2p14g 1[2] POLARIZATION 0 3.0 90329.52 2p15d 3F 2p15d 3F 0 3.0 90332.511P 2p15g 0[3] 2p15g 0[3] POLARIZATION 0 3.0 90389.0 2p16d 3F 2p16d 3F 0 3.0 90391.595P 2p16g 0[3] 2p16g 0[3] POLARIZATION 0 3.0 90392.104R 2p15d 3D 2p15d 3D RITZ 0 3.0 90393.99 2p15d 1F 2p15d 1F 0 3.0 90395.954P 2p15g 1[3] 2p15g 1[3] POLARIZATION 0 3.0 90396.323P 2p15g 1[2] 2p15g 1[2] POLARIZATION 0 3.0 90438.05 2p17d 3F 2p17d 3F 0 3.0 90440.561P 2p17g 0[3] 2p17g 0[3] POLARIZATION 0 3.0 90451.866R 2p16d 3D 2p16d 3D RITZ 0 3.0 90453.16 2p16d 1F 2p16d 1F 0 3.0 90455.055P 2p16g 1[3] 2p16g 1[3] POLARIZATION 0 3.0 90455.360P 2p16g 1[2] 2p16g 1[2] POLARIZATION 0 3.0 90479.39 2p18d 3F 2p18d 3F 0 3.0 90481.594P 2p18g 0[3] 2p18g 0[3] POLARIZATION 0 3.0 90501.361R 2p17d 3D 2p17d 3D RITZ 0 3.0 90502.34 2p17d 1F 2p17d 1F 0 3.0 90504.035P 2p17g 1[3] 2p17g 1[3] POLARIZATION 0 3.0 90504.289P 2p17g 1[2] 2p17g 1[2] POLARIZATION 0 3.0 90514.21 2p19d 3F 2p19d 3F 0 3.0 90516.320P 2p19g 0[3] 2p19g 0[3] POLARIZATION 0 3.0 90542.814R 2p18d 3D 2p18d 3D RITZ 0 3.0 90543.97 2p18d 1F 2p18d 1F 0 3.0 90545.6 2p20d 3F 2p20d 3F 0 3.0 90545.079P 2p18g 1[3] 2p18g 1[3] POLARIZATION 0 3.0 90545.293P 2p18g 1[2] 2p18g 1[2] POLARIZATION 0 3.0 90545.967P 2p20g 0[3] 2p20g 0[3] POLARIZATION 0 3.0 90577.875R 2p19d 3D 2p19d 3D RITZ 0 3.0 90578.67 2p19d 1F 2p19d 1F 0 3.0 90579.813P 2p19g 1[3] 2p19g 1[3] POLARIZATION 0 3.0 90579.995P 2p19g 1[2] 2p19g 1[2] POLARIZATION 0 3.0 90607.795R 2p20d 3D 2p20d 3D RITZ 0 3.0 90609.68 2p20d 1F 2p20d 1F 0 3.0 90609.468P 2p20g 1[3] 2p20g 1[3] POLARIZATION 0 3.0 90609.624P 2p20g 1[2] 2p20g 1[2] POLARIZATION 0 4.0 89786.777P 2p10i 1[4] 2p10i 1[4] POLARIZATION 0 4.0 89913.104P 2p11g 0[3] 2p11g 0[3] POLARIZATION 0 4.0 89913.108P 2p11g 0[4] 2p11g 0[4] POLARIZATION 0 4.0 89976.066P 2p11g 1[4] 2p11g 1[4] POLARIZATION 0 4.0 89976.401P 2p11g 1[3] 2p11g 1[3] POLARIZATION 0 4.0 89977.172P 2p11i 1[4] 2p11i 1[4] POLARIZATION 0 4.0 90058.039P 2p12g 0[3] 2p12g 0[3] POLARIZATION 0 4.0 90058.041P 2p12g 0[4] 2p12g 0[4] POLARIZATION 0 4.0 90121.132P 2p12g 1[4] 2p12g 1[4] POLARIZATION 0 4.0 90121.389P 2p12g 1[3] 2p12g 1[3] POLARIZATION 0 4.0 90121.987P 2p12i 1[4] 2p12i 1[4] POLARIZATION 0 4.0 90170.827P 2p13g 0[3] 2p13g 0[3] POLARIZATION 0 4.0 90170.828P 2p13g 0[4] 2p13g 0[4] POLARIZATION 0 4.0 90226.883R 2p13d 3F 2p13d 3F RITZ 0 4.0 90234.015P 2p13g 1[4] 2p13g 1[4] POLARIZATION 0 4.0 90234.217P 2p13g 1[3] 2p13g 1[3] POLARIZATION 0 4.0 90234.689P 2p13i 1[4] 2p13i 1[4] POLARIZATION 0 4.0 90260.318P 2p14g 0[3] 2p14g 0[3] POLARIZATION 0 4.0 90260.318P 2p14g 0[4] 2p14g 0[4] POLARIZATION 0 4.0 90317.848R 2p14d 3F 2p14d 3F RITZ 0 4.0 90323.576P 2p14g 1[4] 2p14g 1[4] POLARIZATION 0 4.0 90323.737P 2p14g 1[3] 2p14g 1[3] POLARIZATION 0 4.0 90324.117P 2p14i 1[4] 2p14i 1[4] POLARIZATION 0 4.0 90332.512P 2p15g 0[3] 2p15g 0[3] POLARIZATION 0 4.0 90332.512P 2p15g 0[4] 2p15g 0[4] POLARIZATION 0 4.0 90391.150R 2p15d 3F 2p15d 3F RITZ 0 4.0 90391.595P 2p16g 0[3] 2p16g 0[3] POLARIZATION 0 4.0 90391.596P 2p16g 0[4] 2p16g 0[4] POLARIZATION 0 4.0 90395.823P 2p15g 1[4] 2p15g 1[4] POLARIZATION 0 4.0 90395.954P 2p15g 1[3] 2p15g 1[3] POLARIZATION 0 4.0 90396.264P 2p15i 1[4] 2p15i 1[4] POLARIZATION 0 4.0 90440.561P 2p17g 0[3] 2p17g 0[3] POLARIZATION 0 4.0 90440.562P 2p17g 0[4] 2p17g 0[4] POLARIZATION 0 4.0 90451.083R 2p16d 3F 2p16d 3F RITZ 0 4.0 90454.948P 2p16g 1[4] 2p16g 1[4] POLARIZATION 0 4.0 90455.055P 2p16g 1[3] 2p16g 1[3] POLARIZATION 0 4.0 90455.311P 2p16i 1[4] 2p16i 1[4] POLARIZATION 0 4.0 90481.594P 2p18g 0[3] 2p18g 0[3] POLARIZATION 0 4.0 90481.594P 2p18g 0[4] 2p18g 0[4] POLARIZATION 0 4.0 90500.711R 2p17d 3F 2p17d 3F RITZ 0 4.0 90503.946P 2p17g 1[4] 2p17g 1[4] POLARIZATION 0 4.0 90504.035P 2p17g 1[3] 2p17g 1[3] POLARIZATION 0 4.0 90504.249P 2p17i 1[4] 2p17i 1[4] POLARIZATION 0 4.0 90516.320P 2p19g 0[3] 2p19g 0[3] POLARIZATION 0 4.0 90516.320P 2p19g 0[4] 2p19g 0[4] POLARIZATION 0 4.0 90542.268R 2p18d 3F 2p18d 3F RITZ 0 4.0 90545.004P 2p18g 1[4] 2p18g 1[4] POLARIZATION 0 4.0 90545.079P 2p18g 1[3] 2p18g 1[3] POLARIZATION 0 4.0 90545.259P 2p18i 1[4] 2p18i 1[4] POLARIZATION 0 4.0 90545.967P 2p20g 0[3] 2p20g 0[3] POLARIZATION 0 4.0 90545.967P 2p20g 0[4] 2p20g 0[4] POLARIZATION 0 4.0 90577.412R 2p19d 3F 2p19d 3F RITZ 0 4.0 90579.749P 2p19g 1[4] 2p19g 1[4] POLARIZATION 0 4.0 90579.813P 2p19g 1[3] 2p19g 1[3] POLARIZATION 0 4.0 90579.967P 2p19i 1[4] 2p19i 1[4] POLARIZATION 0 4.0 90607.400R 2p20d 3F 2p20d 3F RITZ 0 4.0 90609.413P 2p20g 1[4] 2p20g 1[4] POLARIZATION 0 4.0 90609.468P 2p20g 1[3] 2p20g 1[3] POLARIZATION 0 4.0 90609.600P 2p20i 1[4] 2p20i 1[4] POLARIZATION 0 5.0 89722.968P 2p10i 0[5] 2p10i 0[5] POLARIZATION 0 5.0 89786.367P 2p10i 1[4] 2p10i 1[4] POLARIZATION 0 5.0 89786.777P 2p10i 1[5] 2p10i 1[5] POLARIZATION 0 5.0 89913.109P 2p11g 0[4] 2p11g 0[4] POLARIZATION 0 5.0 89913.429P 2p11i 0[5] 2p11i 0[5] POLARIZATION 0 5.0 89976.067P 2p11g 1[4] 2p11g 1[4] POLARIZATION 0 5.0 89976.863P 2p11i 1[4] 2p11i 1[4] POLARIZATION 0 5.0 89977.000P 2p11g 1[5] 2p11g 1[5] POLARIZATION 0 5.0 89977.173P 2p11i 1[5] 2p11i 1[5] POLARIZATION 0 5.0 90058.042P 2p12g 0[4] 2p12g 0[4] POLARIZATION 0 5.0 90058.290P 2p12i 0[5] 2p12i 0[5] POLARIZATION 0 5.0 90121.133P 2p12g 1[4] 2p12g 1[4] POLARIZATION 0 5.0 90121.749P 2p12i 1[4] 2p12i 1[4] POLARIZATION 0 5.0 90121.853P 2p12g 1[5] 2p12g 1[5] POLARIZATION 0 5.0 90121.987P 2p12i 1[5] 2p12i 1[5] POLARIZATION 0 5.0 90170.829P 2p13g 0[4] 2p13g 0[4] POLARIZATION 0 5.0 90171.025P 2p13i 0[5] 2p13i 0[5] POLARIZATION 0 5.0 90234.016P 2p13g 1[4] 2p13g 1[4] POLARIZATION 0 5.0 90234.502P 2p13i 1[4] 2p13i 1[4] POLARIZATION 0 5.0 90234.583P 2p13g 1[5] 2p13g 1[5] POLARIZATION 0 5.0 90234.689P 2p13i 1[5] 2p13i 1[5] POLARIZATION 0 5.0 90260.319P 2p14g 0[4] 2p14g 0[4] POLARIZATION 0 5.0 90260.476P 2p14i 0[5] 2p14i 0[5] POLARIZATION 0 5.0 90323.577P 2p14g 1[4] 2p14g 1[4] POLARIZATION 0 5.0 90323.967P 2p14i 1[4] 2p14i 1[4] POLARIZATION 0 5.0 90324.031P 2p14g 1[5] 2p14g 1[5] POLARIZATION 0 5.0 90324.117P 2p14i 1[5] 2p14i 1[5] POLARIZATION 0 5.0 90332.513P 2p15g 0[4] 2p15g 0[4] POLARIZATION 0 5.0 90332.641P 2p15i 0[5] 2p15i 0[5] POLARIZATION 0 5.0 90391.596P 2p16g 0[4] 2p16g 0[4] POLARIZATION 0 5.0 90391.702P 2p16i 0[5] 2p16i 0[5] POLARIZATION 0 5.0 90395.824P 2p15g 1[4] 2p15g 1[4] POLARIZATION 0 5.0 90396.142P 2p15i 1[4] 2p15i 1[4] POLARIZATION 0 5.0 90396.193P 2p15g 1[5] 2p15g 1[5] POLARIZATION 0 5.0 90396.264P 2p15i 1[5] 2p15i 1[5] POLARIZATION 0 5.0 90440.562P 2p17g 0[4] 2p17g 0[4] POLARIZATION 0 5.0 90440.650P 2p17i 0[5] 2p17i 0[5] POLARIZATION 0 5.0 90454.948P 2p16g 1[4] 2p16g 1[4] POLARIZATION 0 5.0 90455.210P 2p16i 1[4] 2p16i 1[4] POLARIZATION 0 5.0 90455.253P 2p16g 1[5] 2p16g 1[5] POLARIZATION 0 5.0 90455.311P 2p16i 1[5] 2p16i 1[5] POLARIZATION 0 5.0 90481.594P 2p18g 0[4] 2p18g 0[4] POLARIZATION 0 5.0 90481.669P 2p18i 0[5] 2p18i 0[5] POLARIZATION 0 5.0 90503.946P 2p17g 1[4] 2p17g 1[4] POLARIZATION 0 5.0 90504.165P 2p17i 1[4] 2p17i 1[4] POLARIZATION 0 5.0 90504.200P 2p17g 1[5] 2p17g 1[5] POLARIZATION 0 5.0 90504.249P 2p17i 1[5] 2p17i 1[5] POLARIZATION 0 5.0 90516.320P 2p19g 0[4] 2p19g 0[4] POLARIZATION 0 5.0 90516.383P 2p19i 0[5] 2p19i 0[5] POLARIZATION 0 5.0 90545.004P 2p18g 1[4] 2p18g 1[4] POLARIZATION 0 5.0 90545.189P 2p18i 1[5] 2p18i 1[5] POLARIZATION 0 5.0 90545.218P 2p18g 1[5] 2p18g 1[5] POLARIZATION 0 5.0 90545.259P 2p18i 1[5] 2p18i 1[5] POLARIZATION 0 5.0 90545.967P 2p20g 0[4] 2p20g 0[4] POLARIZATION 0 5.0 90546.022P 2p20i 0[5] 2p20i 0[5] POLARIZATION 0 5.0 90579.749P 2p19g 1[4] 2p19g 1[4] POLARIZATION 0 5.0 90579.907P 2p19i 1[4] 2p19i 1[4] POLARIZATION 0 5.0 90579.931P 2p19g 1[5] 2p19g 1[5] POLARIZATION 0 5.0 90579.967P 2p19i 1[5] 2p19i 1[5] POLARIZATION 0 5.0 90609.413P 2p20g 1[4] 2p20g 1[4] POLARIZATION 0 5.0 90609.548P 2p20i 1[4] 2p20i 1[4] POLARIZATION 0 5.0 90609.569P 2p20g 1[5] 2p20g 1[5] POLARIZATION 0 5.0 90609.600P 2p20i 1[5] 2p20i 1[5] POLARIZATION 0 6.0 89722.968P 2p10i 0[5] 2p10i 0[5] POLARIZATION 0 6.0 89722.969P 2p10i 0[6] 2p10i 0[6] POLARIZATION 0 6.0 89786.269P 2p10i 1[5] 2p10i 1[5] POLARIZATION 0 6.0 89786.367P 2p10i 1[6] 2p10i 1[6] POLARIZATION 0 6.0 89913.429P 2p11i 0[5] 2p11i 0[5] POLARIZATION 0 6.0 89913.430P 2p11i 0[6] 2p11i 0[6] POLARIZATION 0 6.0 89976.790P 2p11i 1[5] 2p11i 1[5] POLARIZATION 0 6.0 89976.864P 2p11i 1[6] 2p11i 1[6] POLARIZATION 0 6.0 89977.000P 2p11g 1[5] 2p11g 1[5] POLARIZATION 0 6.0 90058.290P 2p12i 0[5] 2p12i 0[5] POLARIZATION 0 6.0 90058.290P 2p12i 0[6] 2p12i 0[6] POLARIZATION 0 6.0 90121.693P 2p12i 1[5] 2p12i 1[5] POLARIZATION 0 6.0 90121.749P 2p12i 1[6] 2p12i 1[6] POLARIZATION 0 6.0 90121.853P 2p12g 1[5] 2p12g 1[5] POLARIZATION 0 6.0 90171.025P 2p13i 0[5] 2p13i 0[5] POLARIZATION 0 6.0 90171.025P 2p13i 0[6] 2p13i 0[6] POLARIZATION 0 6.0 90234.458P 2p13i 1[5] 2p13i 1[5] POLARIZATION 0 6.0 90234.502P 2p13i 1[6] 2p13i 1[6] POLARIZATION 0 6.0 90234.583P 2p13g 1[5] 2p13g 1[5] POLARIZATION 0 6.0 90260.476P 2p14i 0[5] 2p14i 0[5] POLARIZATION 0 6.0 90260.476P 2p14i 0[6] 2p14i 0[6] POLARIZATION 0 6.0 90323.931P 2p14i 1[5] 2p14i 1[5] POLARIZATION 0 6.0 90323.967P 2p14i 1[6] 2p14i 1[6] POLARIZATION 0 6.0 90324.031P 2p14g 1[5] 2p14g 1[5] POLARIZATION 0 6.0 90332.641P 2p15i 0[5] 2p15i 0[5] POLARIZATION 0 6.0 90332.641P 2p15i 0[6] 2p15i 0[6] POLARIZATION 0 6.0 90391.702P 2p16i 0[5] 2p16i 0[5] POLARIZATION 0 6.0 90391.702P 2p16i 0[6] 2p16i 0[6] POLARIZATION 0 6.0 90396.113P 2p15i 1[5] 2p15i 1[5] POLARIZATION 0 6.0 90396.142P 2p15i 1[6] 2p15i 1[6] POLARIZATION 0 6.0 90396.193P 2p15g 1[5] 2p15g 1[5] POLARIZATION 0 6.0 90440.650P 2p17i 0[5] 2p17i 0[5] POLARIZATION 0 6.0 90440.650P 2p17i 0[6] 2p17i 0[6] POLARIZATION 0 6.0 90455.187P 2p16i 1[5] 2p16i 1[5] POLARIZATION 0 6.0 90455.210P 2p16i 1[6] 2p16i 1[6] POLARIZATION 0 6.0 90455.252P 2p16g 1[5] 2p16g 1[5] POLARIZATION 0 6.0 90481.669P 2p18i 0[5] 2p18i 0[5] POLARIZATION 0 6.0 90481.669P 2p18i 0[6] 2p18i 0[6] POLARIZATION 0 6.0 90504.145P 2p17i 1[5] 2p17i 1[5] POLARIZATION 0 6.0 90504.165P 2p17i 1[6] 2p17i 1[6] POLARIZATION 0 6.0 90504.200P 2p17g 1[5] 2p17g 1[5] POLARIZATION 0 6.0 90516.383P 2p19i 0[5] 2p19i 0[5] POLARIZATION 0 6.0 90516.383P 2p19i 0[6] 2p19i 0[6] POLARIZATION 0 6.0 90545.172P 2p18i 1[5] 2p18i 1[5] POLARIZATION 0 6.0 90545.189P 2p18i 1[6] 2p18i 1[6] POLARIZATION 0 6.0 90545.218P 2p18g 1[5] 2p18g 1[5] POLARIZATION 0 6.0 90546.022P 2p20i 0[5] 2p20i 0[5] POLARIZATION 0 6.0 90546.022P 2p20i 0[6] 2p20i 0[6] POLARIZATION 0 6.0 90579.892P 2p19i 1[5] 2p19i 1[5] POLARIZATION 0 6.0 90579.907P 2p19i 1[6] 2p19i 1[6] POLARIZATION 0 6.0 90579.931P 2p19g 1[5] 2p19g 1[5] POLARIZATION 0 6.0 90609.536P 2p20i 1[5] 2p20i 1[5] POLARIZATION 0 6.0 90609.548P 2p20i 1[6] 2p20i 1[6] POLARIZATION 0 6.0 90609.569P 2p20g 1[5] 2p20g 1[5] POLARIZATION 0 7.0 89722.969P 2p10i 0[7] 2p10i 0[7] POLARIZATION 0 7.0 89786.269P 2p10i 1[6] 2p10i 1[6] POLARIZATION 0 7.0 89786.679P 2p10i 1[7] 2p10i 1[7] POLARIZATION 0 7.0 89913.430P 2p11i 0[7] 2p11i 0[7] POLARIZATION 0 7.0 89976.790P 2p11i 1[6] 2p11i 1[6] POLARIZATION 0 7.0 89977.099P 2p11i 1[7] 2p11i 1[7] POLARIZATION 0 7.0 90058.290P 2p12i 0[7] 2p12i 0[7] POLARIZATION 0 7.0 90121.693P 2p12i 1[6] 2p12i 1[6] POLARIZATION 0 7.0 90121.931P 2p12i 1[7] 2p12i 1[7] POLARIZATION 0 7.0 90171.025P 2p13i 0[7] 2p13i 0[7] POLARIZATION 0 7.0 90234.458P 2p13i 1[6] 2p13i 1[6] POLARIZATION 0 7.0 90234.645P 2p13i 1[7] 2p13i 1[7] POLARIZATION 0 7.0 90260.476P 2p14i 0[7] 2p14i 0[7] POLARIZATION 0 7.0 90323.931P 2p14i 1[6] 2p14i 1[6] POLARIZATION 0 7.0 90324.081P 2p14i 1[7] 2p14i 1[7] POLARIZATION 0 7.0 90332.641P 2p15i 0[7] 2p15i 0[7] POLARIZATION 0 7.0 90391.702P 2p16i 0[7] 2p16i 0[7] POLARIZATION 0 7.0 90396.113P 2p15i 1[6] 2p15i 1[6] POLARIZATION 0 7.0 90396.235P 2p15i 1[7] 2p15i 1[7] POLARIZATION 0 7.0 90440.650P 2p17i 0[7] 2p17i 0[7] POLARIZATION 0 7.0 90455.187P 2p16i 1[6] 2p16i 1[6] POLARIZATION 0 7.0 90455.287P 2p16i 1[7] 2p16i 1[7] POLARIZATION 0 7.0 90481.669P 2p18i 0[7] 2p18i 0[7] POLARIZATION 0 7.0 90504.145P 2p17i 1[6] 2p17i 1[6] POLARIZATION 0 7.0 90504.229P 2p17i 1[7] 2p17i 1[7] POLARIZATION 0 7.0 90516.383P 2p19i 0[7] 2p19i 0[7] POLARIZATION 0 7.0 90545.172P 2p18i 1[7] 2p18i 1[7] POLARIZATION 0 7.0 90545.242P 2p18i 1[7] 2p18i 1[7] POLARIZATION 0 7.0 90546.022P 2p20i 0[7] 2p20i 0[7] POLARIZATION 0 7.0 90579.892P 2p19i 1[6] 2p19i 1[6] POLARIZATION 0 7.0 90579.953P 2p19i 1[7] 2p19i 1[7] POLARIZATION 0 7.0 90609.536P 2p20i 1[6] 2p20i 1[6] POLARIZATION 0 7.0 90609.588P 2p20i 1[7] 2p20i 1[7] POLARIZATION 0 8.0 89786.680P 2p10i 1[7] 2p10i 1[7] POLARIZATION 0 8.0 89977.099P 2p11i 1[7] 2p11i 1[7] POLARIZATION 0 8.0 90121.931P 2p12i 1[7] 2p12i 1[7] POLARIZATION 0 8.0 90234.645P 2p13i 1[7] 2p13i 1[7] POLARIZATION 0 8.0 90324.081P 2p14i 1[7] 2p14i 1[7] POLARIZATION 0 8.0 90396.235P 2p15i 1[7] 2p15i 1[7] POLARIZATION 0 8.0 90455.287P 2p16i 1[7] 2p16i 1[7] POLARIZATION 0 8.0 90504.229P 2p17i 1[7] 2p17i 1[7] POLARIZATION 0 8.0 90545.242P 2p18i 1[7] 2p18i 1[7] POLARIZATION 0 8.0 90579.953P 2p19i 1[7] 2p19i 1[7] POLARIZATION 0 8.0 90609.588P 2p20i 1[7] 2p20i 1[7] POLARIZATION 198 20.7 145 LEAST SQUARES 1 1 EAV 0.0 0.0 90091.7 FIXEDHF 1.000 0 0.0 0 2p13s 2 1 ZETA 2 0.0 0.0 42.3 STARTHF 1.000 0 0.0 0 2p13s 3 1 G1(23) 0.0 0.0 11.9 STARTHF 0.500 0 0.0 0 2p13s 4 2 EAV 0.0 0.0 90206.3 FIXEDHF 1.000 0 0.0 0 2p14s 5 2 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p14s 6 2 G1(23) 0.0 0.0 9.4 FIXEDHF 0.500 0 0.0 0 2p14s 7 3 EAV 0.0 0.0 90297.1 FIXEDHF 1.000 0 0.0 0 2p15s 8 3 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p15s 9 3 G1(23) 0.0 0.0 7.5 FIXEDHF 0.500 0 0.0 0 2p15s 10 4 EAV 0.0 0.0 90370.4 FIXEDHF 1.000 0 0.0 0 2p16s 11 4 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p16s 12 4 G1(23) 0.0 0.0 6.1 FIXEDHF 0.500 0 0.0 0 2p16s 13 5 EAV 0.0 0.0 90430.2 FIXEDHF 1.000 0 0.0 0 2p17s 14 5 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p17s 15 5 G1(23) 0.0 0.0 5.0 FIXEDHF 0.500 0 0.0 0 2p17s 16 6 EAV 0.0 0.0 90479.8 FIXEDHF 1.000 0 0.0 0 2p18s 17 6 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p18s 18 6 G1(23) 0.0 0.0 4.2 FIXEDHF 0.500 0 0.0 0 2p18s 19 7 EAV 0.0 0.0 90521.3 FIXEDHF 1.000 0 0.0 0 2p19s 20 7 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p19s 21 7 G1(23) 0.0 0.0 3.5 FIXEDHF 0.500 0 0.0 0 2p19s 22 8 EAV 0.0 0.0 90556.5 FIXEDHF 1.000 0 0.0 0 2p20s 23 8 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p20s 24 8 G1(23) 0.0 0.0 3.0 FIXEDHF 0.500 0 0.0 0 2p20s 25 9 EAV 0.0 0.0 90207.9 FIXEDHF 1.000 0 0.0 0 2p13d 26 9 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p13d 27 9 ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p13d 28 9 F2(24) 0.0 0.0 23.3 FIXEDHF 0.900 0 0.0 0 2p13d 29 9 G1(24) 0.0 0.0 11.5 FIXEDHF 0.535 0 0.0 0 2p13d 30 9 G3(24) 0.0 0.0 6.5 FIXEDHF 0.560 0 0.0 0 2p13d 31 A EAV 0.0 0.0 90298.4 FIXEDHF 1.000 0 0.0 0 2p14d 32 A ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p14d 33 A ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p14d 34 A F2(24) 0.0 0.0 18.8 FIXEDHF 0.350 0 0.0 0 2p14d 35 A G1(24) 0.0 0.0 9.3 FIXEDHF 0.535 0 0.0 0 2p14d 36 A G3(24) 0.0 0.0 5.3 FIXEDHF 0.560 0 0.0 0 2p14d 37 B EAV 0.0 0.0 90371.4 FIXEDHF 1.000 0 0.0 0 2p15d 38 B ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p15d 39 B ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p15d 40 B F2(24) 0.0 0.0 15.3 FIXEDHF 0.350 0 0.0 0 2p15d 41 B G1(24) 0.0 0.0 7.7 FIXEDHF 0.535 0 0.0 0 2p15d 42 B G3(24) 0.0 0.0 4.4 FIXEDHF 0.560 0 0.0 0 2p15d 43 C EAV 0.0 0.0 90431.0 FIXEDHF 1.000 0 0.0 0 2p16d 44 C ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p16d 45 C ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p16d 46 C F2(24) 0.0 0.0 12.7 FIXEDHF 0.350 0 0.0 0 2p16d 47 C G1(24) 0.0 0.0 6.4 FIXEDHF 0.535 0 0.0 0 2p16d 48 C G3(24) 0.0 0.0 3.6 FIXEDHF 0.560 0 0.0 0 2p16d 49 D EAV 0.0 0.0 90480.5 FIXEDHF 1.000 0 0.0 0 2p17d 50 D ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p17d 51 D ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p17d 52 D F2(24) 0.0 0.0 10.6 FIXEDHF 0.350 0 0.0 0 2p17d 53 D G1(24) 0.0 0.0 5.3 FIXEDHF 0.535 0 0.0 0 2p17d 54 D G3(24) 0.0 0.0 3.0 FIXEDHF 0.560 0 0.0 0 2p17d 55 E EAV 0.0 0.0 90521.9 FIXEDHF 1.000 0 0.0 0 2p18d 56 E ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p18d 57 E ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p18d 58 E F2(24) 0.0 0.0 9.0 FIXEDHF 0.350 0 0.0 0 2p18d 59 E G1(24) 0.0 0.0 4.5 FIXEDHF 0.535 0 0.0 0 2p18d 60 E G3(24) 0.0 0.0 2.6 FIXEDHF 0.560 0 0.0 0 2p18d 61 F EAV 0.0 0.0 90556.9 FIXEDHF 1.000 0 0.0 0 2p19d 62 F ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p19d 63 F ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p19d 64 F F2(24) 0.0 0.0 7.6 FIXEDHF 0.350 0 0.0 0 2p19d 65 F G1(24) 0.0 0.0 3.9 FIXEDHF 0.535 0 0.0 0 2p19d 66 F G3(24) 0.0 0.0 2.2 FIXEDHF 0.560 0 0.0 0 2p19d 67 G EAV 0.0 0.0 90586.8 FIXEDHF 1.000 0 0.0 0 2p20d 68 G ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p20d 69 G ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p20d 70 G F2(24) 0.0 0.0 6.6 FIXEDHF 0.350 0 0.0 0 2p20d 71 G G1(24) 0.0 0.0 3.3 FIXEDHF 0.535 0 0.0 0 2p20d 72 G G3(24) 0.0 0.0 1.9 FIXEDHF 0.560 0 0.0 0 2p20d 73 H EAV 0.0 0.0 89955.5 FIXEDHF 1.000 0 0.0 0 2p11g 74 H ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p11g 75 H ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p11g 76 H F2(25) 0.0 0.0 4.7 FIXEDHF 0.900 0 0.0 0 2p11g 77 H G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p11g 78 H G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p11g 79 I EAV 0.0 0.0 90100.4 FIXEDHF 1.000 0 0.0 0 2p12g 80 I ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p12g 81 I ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p12g 82 I F2(25) 0.0 0.0 3.6 FIXEDHF 0.900 0 0.0 0 2p12g 83 I G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p12g 84 I G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p12g 85 J EAV 0.0 0.0 90213.2 FIXEDHF 1.000 0 0.0 0 2p13g 86 J ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p13g 87 J ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p13g 88 J F2(25) 0.0 0.0 2.8 FIXEDHF 0.900 0 0.0 0 2p13g 89 J G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p13g 90 J G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p13g 91 K EAV 0.0 0.0 90302.7 FIXEDHF 1.000 0 0.0 0 2p14g 92 K ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p14g 93 K ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p14g 94 K F2(25) 0.0 0.0 2.3 FIXEDHF 0.900 0 0.0 0 2p14g 95 K G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p14g 96 K G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p14g 97 L EAV 0.0 0.0 90374.9 FIXEDHF 1.000 0 0.0 0 2p15g 98 L ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p15g 99 L ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p15g 100 L F2(25) 0.0 0.0 1.9 FIXEDHF 0.900 0 0.0 0 2p15g 101 L G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p15g 102 L G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p15g 103 M EAV 0.0 0.0 90434.0 FIXEDHF 1.000 0 0.0 0 2p16g 104 M ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p16g 105 M ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p16g 106 M F2(25) 0.0 0.0 1.5 FIXEDHF 0.900 0 0.0 0 2p16g 107 M G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p16g 108 M G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p16g 109 N EAV 0.0 0.0 90482.9 FIXEDHF 1.000 0 0.0 0 2p17g 110 N ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p17g 111 N ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p17g 112 N F2(25) 0.0 0.0 1.3 FIXEDHF 0.900 0 0.0 0 2p17g 113 N G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p17g 114 N G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p17g 115 O EAV 0.0 0.0 90524.0 FIXEDHF 1.000 0 0.0 0 2p18g 116 O ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p18g 117 O ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p18g 118 O F2(25) 0.0 0.0 1.1 FIXEDHF 0.900 0 0.0 0 2p18g 119 O G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p18g 120 O G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p18g 121 P EAV 0.0 0.0 90558.7 FIXEDHF 1.000 0 0.0 0 2p19g 122 P ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p19g 123 P ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p19g 124 P F2(25) 0.0 0.0 0.9 FIXEDHF 0.900 0 0.0 0 2p19g 125 P G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p19g 126 P G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p19g 127 Q EAV 0.0 0.0 90588.3 FIXEDHF 1.000 0 0.0 0 2p20g 128 Q ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p20g 129 Q ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p20g 130 Q F2(25) 0.0 0.0 0.8 FIXEDHF 0.900 0 0.0 0 2p20g 131 Q G3(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p20g 132 Q G5(25) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p20g 133 R EAV 0.0 0.0 89765.3 FIXEDHF 1.000 0 0.0 0 2p10i 134 R ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p10i 135 R ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p10i 136 R F2(26) 0.0 0.0 2.1 FIXEDHF 0.900 0 0.0 0 2p10i 137 R G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p10i 138 R G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p10i 139 S EAV 0.0 0.0 89955.8 FIXEDHF 1.000 0 0.0 0 2p11i 140 S ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p11i 141 S ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p11i 142 S F2(26) 0.0 0.0 1.5 FIXEDHF 0.900 0 0.0 0 2p11i 143 S G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p11i 144 S G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p11i 145 T EAV 0.0 0.0 90100.7 FIXEDHF 1.000 0 0.0 0 2p12i 146 T ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p12i 147 T ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p12i 148 T F2(26) 0.0 0.0 1.2 FIXEDHF 0.900 0 0.0 0 2p12i 149 T G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p12i 150 T G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p12i 151 U EAV 0.0 0.0 90213.4 FIXEDHF 1.000 0 0.0 0 2p13i 152 U ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p13i 153 U ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p13i 154 U F2(26) 0.0 0.0 0.9 FIXEDHF 0.900 0 0.0 0 2p13i 155 U G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p13i 156 U G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p13i 157 V EAV 0.0 0.0 90302.8 FIXEDHF 1.000 0 0.0 0 2p14i 158 V ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p14i 159 V ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p14i 160 V F2(26) 0.0 0.0 0.8 FIXEDHF 0.900 0 0.0 0 2p14i 161 V G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p14i 162 V G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p14i 163 W EAV 0.0 0.0 90375.0 FIXEDHF 1.000 0 0.0 0 2p15i 164 W ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p15i 165 W ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p15i 166 W F2(26) 0.0 0.0 0.6 FIXEDHF 0.900 0 0.0 0 2p15i 167 W G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p15i 168 W G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p15i 169 X EAV 0.0 0.0 90434.1 FIXEDHF 1.000 0 0.0 0 2p16i 170 X ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p16i 171 X ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p16i 172 X F2(26) 0.0 0.0 0.5 FIXEDHF 0.900 0 0.0 0 2p16i 173 X G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p16i 174 X G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p16i 175 Y EAV 0.0 0.0 90483.0 FIXEDHF 1.000 0 0.0 0 2p17i 176 Y ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p17i 177 Y ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p17i 178 Y F2(26) 0.0 0.0 0.4 FIXEDHF 0.900 0 0.0 0 2p17i 179 Y G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p17i 180 Y G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p17i 181 Z EAV 0.0 0.0 90524.0 FIXEDHF 1.000 0 0.0 0 2p18i 182 Z ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p18i 183 Z ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p18i 184 Z F2(26) 0.0 0.0 0.4 FIXEDHF 0.900 0 0.0 0 2p18i 185 Z G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p18i 186 Z G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p18i 187 a EAV 0.0 0.0 90558.7 FIXEDHF 1.000 0 0.0 0 2p19i 188 a ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p19i 189 a ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p19i 190 a F2(26) 0.0 0.0 0.3 FIXEDHF 0.900 0 0.0 0 2p19i 191 a G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p19i 192 a G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p19i 193 b EAV 0.0 0.0 90588.4 FIXEDHF 1.000 0 0.0 0 2p20i 194 b ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p20i 195 b ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p20i 196 b F2(26) 0.0 0.0 0.3 FIXEDHF 0.900 0 0.0 0 2p20i 197 b G5(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p20i 198 b G7(26) 0.0 0.0 0.0 FIXEDHF 0.900 0 0.0 0 2p20i 6.00 J 0.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 -90051.616R 90048.401 -3.2 0.000 2p13s 3P 1.000 1(2P)3P 1 2 -90165.831R 90163.236 -2.6 0.000 2p14s 3P 1.000 2(2P)3P 2 3 -90234.584R 90232.431 -2.2 0.000 2p13d 3P 1.000 9(2P)3P 9 4 -90256.357R 90254.239 -2.1 0.000 2p15s 3P 1.000 3(2P)3P 3 5 -90323.987R 90320.207 -3.8 0.000 2p14d 3P 1.000 A(2P)3P 10 6 -90329.321R 90327.575 -1.7 0.000 2p16s 3P 1.000 4(2P)3P 4 7 -90388.990R 90387.537 -1.5 0.000 2p17s 3P 1.000 5(2P)3P 5 8 -90396.125R 90393.053 -3.1 0.000 2p15d 3P 1.000 B(2P)3P 11 9 -90438.408R 90437.188 -1.2 0.000 2p18s 3P 1.000 6(2P)3P 6 10 -90455.171R 90452.641 -2.5 0.000 2p16d 3P 1.000 C(2P)3P 12 11 -90479.795R 90478.764 -1.0 0.000 2p19s 3P 1.000 7(2P)3P 7 12 -90504.111R 90502.005 -2.1 0.000 2p17d 3P 1.000 D(2P)3P 13 13 -90514.803R 90513.925 -0.9 0.000 2p20s 3P 1.000 8(2P)3P 8 14 -90545.125R 90543.355 -1.8 0.000 2p18d 3P 1.000 E(2P)3P 14 15 -90579.838R 90578.336 -1.5 0.000 2p19d 3P 1.000 F(2P)3P 15 16 -90609.476R 90608.193 -1.3 0.000 2p20d 3P 1.000 G(2P)3P 16 16 VECTORS WRITTEN TO UNIT 3 6.00 J 1.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 -90052.902R 90049.671 -3.2 1.348 2p13s 3P 0.833 1(2P)3P 1 -0.554 1(2P)1P 2 2 90116.0 90114.522 -1.5 1.154 2p13s 1P -0.833 1(2P)1P 2 -0.554 1(2P)3P 1 3 -90166.858R 90164.243 -2.6 1.345 2p14s 3P 0.829 2(2P)3P 3 -0.559 2(2P)1P 4 4 90167.98 90166.591 -1.4 0.796 2p13d 3D 0.750 9(2P)3D 17 0.533 9(2P)1P 19 0.392 9(2P)3P 18 5 90229.78 90228.770 -1.0 1.156 2p14s 1P -0.829 2(2P)1P 4 -0.559 2(2P)3P 3 6 -90234.536R 90230.223 -4.3 1.010 2p13d 3P -0.652 9(2P)3P 18 0.636 9(2P)3D 17 -0.414 9(2P)1P 19 7 90231.47 90233.639 2.2 1.194 2p13d 1P -0.738 9(2P)1P 19 0.649 9(2P)3P 18 0.185 9(2P)3D 17 8 -90257.189R 90255.050 -2.1 1.343 2p15s 3P 0.827 3(2P)3P 5 -0.562 3(2P)1P 6 9 90260.18 90257.097 -3.1 0.825 2p14d 3D 0.719 A(2P)3D 20 0.561 A(2P)1P 22 0.410 A(2P)3P 21 10 -90320.183R 90319.346 -0.8 1.158 2p15s 1P -0.827 3(2P)1P 6 -0.562 3(2P)3P 5 11 -90323.981R 90319.988 -4.0 1.188 2p14d 3P 0.826 A(2P)3P 21 -0.554 A(2P)3D 20 0.106 A(2P)1P 22 12 90322.33 90321.524 -0.8 0.987 2p14d 1P -0.821 A(2P)1P 22 0.419 A(2P)3D 20 0.387 A(2P)3P 21 13 -90330.004R 90328.237 -1.8 1.341 2p16s 3P 0.825 4(2P)3P 7 -0.565 4(2P)1P 8 14 -90330.564R 90329.897 -0.7 0.826 2p15d 3D 0.717 B(2P)3D 23 0.564 B(2P)1P 25 0.410 B(2P)3P 24 15 -90389.556R 90388.084 -1.5 1.340 2p17s 3P 0.824 5(2P)3P 9 -0.567 5(2P)1P 10 16 -90390.004R 90389.448 -0.6 0.828 2p16d 3D 0.715 C(2P)3D 26 0.566 C(2P)1P 28 0.410 C(2P)3P 27 17 -90393.048R 90392.362 -0.7 1.160 2p16s 1P -0.825 4(2P)1P 8 -0.565 4(2P)3P 7 18 -90396.141R 90392.875 -3.3 1.188 2p15d 3P 0.826 B(2P)3P 24 -0.554 B(2P)3D 23 0.105 B(2P)1P 25 19 90395.50 90394.132 -1.4 0.986 2p15d 1P -0.819 B(2P)1P 25 0.422 B(2P)3D 23 0.387 B(2P)3P 24 20 -90438.883R 90437.645 -1.2 1.339 2p18s 3P 0.822 6(2P)3P 11 -0.569 6(2P)1P 12 J 1.0 21 -90439.246R 90438.780 -0.5 0.828 2p17d 3D 0.714 D(2P)3D 29 0.568 D(2P)1P 31 0.409 D(2P)3P 30 22 -90452.647R 90452.080 -0.6 1.161 2p17s 1P -0.824 5(2P)1P 10 -0.567 5(2P)3P 9 23 -90455.198R 90452.497 -2.7 1.188 2p16d 3P 0.826 C(2P)3P 27 -0.554 C(2P)3D 26 0.103 C(2P)1P 28 24 90454.40 90453.538 -0.9 0.985 2p16d 1P -0.818 C(2P)1P 28 0.425 C(2P)3D 26 0.388 C(2P)3P 27 25 -90480.198R 90479.150 -1.0 1.338 2p19s 3P 0.821 7(2P)3P 13 -0.570 7(2P)1P 14 26 -90480.496R 90480.104 -0.4 0.829 2p18d 3D 0.713 E(2P)3D 32 0.569 E(2P)1P 34 0.409 E(2P)3P 33 27 -90502.647R 90501.543 -1.1 1.162 2p18s 1P -0.822 6(2P)1P 12 -0.569 6(2P)3P 11 28 -90504.143R 90501.885 -2.3 1.188 2p17d 3P 0.826 D(2P)3P 30 -0.555 D(2P)3D 29 0.102 D(2P)1P 31 29 90502.53 90502.757 0.2 0.984 2p17d 1P -0.817 D(2P)1P 31 0.427 D(2P)3D 29 0.388 D(2P)3P 30 30 -90515.396R 90514.254 -1.1 1.338 2p19d 3D 0.821 8(2P)3P 15 -0.571 8(2P)1P 16 31 -90515.147R 90515.063 -0.1 0.830 2p20s 3P 0.712 F(2P)3D 35 0.570 F(2P)1P 37 0.409 F(2P)3P 36 32 -90543.365R 90542.970 -0.4 1.163 2p19s 1P -0.821 7(2P)1P 14 -0.570 7(2P)3P 13 33 -90545.160R 90543.255 -1.9 1.188 2p18d 3P 0.826 E(2P)3P 33 -0.555 E(2P)3D 32 0.101 E(2P)1P 34 34 90544.85 90543.992 -0.9 0.983 2p18d 1P -0.816 E(2P)1P 34 0.429 E(2P)3D 32 0.388 E(2P)3P 33 35 -90545.184R 90544.901 -0.3 0.830 2p20d 3D 0.711 G(2P)3D 38 0.571 G(2P)1P 40 0.409 G(2P)3P 39 36 90579.3 90578.013 -1.3 1.164 2p19d 1P -0.821 8(2P)1P 16 -0.571 8(2P)3P 15 37 -90578.345R 90578.251 -0.1 1.188 2p20s 1P 0.826 F(2P)3P 36 -0.555 F(2P)3D 35 0.100 F(2P)1P 37 38 -90579.872R 90578.881 -1.0 0.982 2p19d 3P -0.815 F(2P)1P 37 0.430 F(2P)3D 35 0.387 F(2P)3P 36 39 -90609.509R 90608.120 -1.4 1.188 2p20d 3P -0.826 G(2P)3P 39 0.555 G(2P)3D 38 -0.099 G(2P)1P 40 40 90609.6 90608.662 -0.9 0.982 2p20d 1P 0.815 G(2P)1P 40 -0.432 G(2P)3D 38 -0.387 G(2P)3P 39 40 VECTORS WRITTEN TO UNIT 3 6.00 J 2.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 89977.329P 89977.220 0.0 0.666 2p11g 1[2] 1.000 H(2P)3F 41 2 90109.971R 90111.821 1.9 1.501 2p13s 3P 1.000 1(2P)3P 1 3 90122.106P 90122.013 0.0 0.666 2p12g 1[2] 1.000 I(2P)3F 42 4 90165.063R 90164.056 -1.0 0.778 2p13d 3F 0.845 9(2P)3F 9 0.484 9(2P)1D 12 0.161 9(2P)3D 10 5 -90161.415R 90165.468 4.1 1.262 2p13d 1D -0.649 9(2P)3P 11 -0.628 9(2P)3D 10 0.372 9(2P)1D 12 6 -90228.281R 90225.828 -2.5 0.966 2p13d 3D -0.728 9(2P)1D 12 0.484 9(2P)3F 9 -0.470 9(2P)3D 10 7 -90225.233R 90226.656 1.4 1.501 2p14s 3P 1.000 2(2P)3P 2 8 -90232.309R 90229.267 -3.0 1.328 2p13d 3P -0.734 9(2P)3P 11 0.599 9(2P)3D 10 -0.312 9(2P)1D 12 9 90234.782P 90234.700 0.0 0.666 2p13g 1[2] 1.000 J(2P)3F 43 10 90255.717R 90254.901 -0.8 0.766 2p14d 3F 0.863 A(2P)3F 13 0.451 A(2P)1D 16 0.178 A(2P)3D 14 11 -90252.983R 90256.136 3.2 1.284 2p14d 1D -0.685 A(2P)3P 15 -0.598 A(2P)3D 14 0.373 A(2P)1D 16 12 -90316.538R 90317.659 1.1 1.501 2p15s 3P 1.000 3(2P)3P 3 13 -90318.966R 90318.317 -0.6 0.986 2p14d 3D -0.791 A(2P)1D 16 0.442 A(2P)3F 13 -0.337 A(2P)3D 14 14 -90322.198R 90319.693 -2.5 1.298 2p14d 3P 0.705 A(2P)3D 14 -0.668 A(2P)3P 15 -0.175 A(2P)1D 16 15 90324.190P 90324.116 0.0 0.666 2p14g 1[2] 1.000 K(2P)3F 44 16 90326.686R 90328.091 1.4 0.766 2p15d 1D 0.864 B(2P)3F 17 0.450 B(2P)1D 20 0.179 B(2P)3D 18 17 -90328.784R 90329.106 0.3 1.285 2p15d 3F -0.687 B(2P)3P 19 -0.598 B(2P)3D 18 0.372 B(2P)1D 20 18 -90388.535R 90387.945 -0.6 0.766 2p16d 3F 0.864 C(2P)3F 21 0.450 C(2P)1D 24 0.179 C(2P)3D 22 19 -90386.893R 90388.789 1.9 1.286 2p16d 1D -0.688 C(2P)3P 23 -0.597 C(2P)3D 22 0.371 C(2P)1D 24 20 -90390.093R 90390.995 0.9 1.501 2p16s 3P 1.000 4(2P)3P 4 J 2.0 21 -90392.059R 90391.510 -0.5 0.986 2p15d 3D -0.793 B(2P)1D 20 0.441 B(2P)3F 17 -0.334 B(2P)3D 18 22 90394.691R 90392.636 -2.1 1.297 2p15d 3P 0.706 B(2P)3D 18 -0.666 B(2P)3P 19 -0.175 B(2P)1D 20 23 90396.323P 90396.254 0.0 0.666 2p15g 1[2] 1.000 L(2P)3F 45 24 -90438.021R 90437.516 -0.5 0.766 2p17d 3F 0.864 D(2P)3F 25 0.449 D(2P)1D 28 0.180 D(2P)3D 26 25 -90436.712R 90438.225 1.5 1.286 2p17d 1D -0.689 D(2P)3P 27 -0.597 D(2P)3D 26 0.370 D(2P)1D 28 26 -90449.548R 90450.957 1.4 1.501 2p17s 3P 1.000 5(2P)3P 5 27 -90451.831R 90451.366 -0.5 0.986 2p16d 3D -0.794 C(2P)1D 24 0.441 C(2P)3F 21 -0.333 C(2P)3D 22 28 90454.004R 90452.299 -1.7 1.296 2p16d 3P 0.707 C(2P)3D 22 -0.665 C(2P)3P 23 -0.174 C(2P)1D 24 29 90455.359P 90455.296 0.0 0.666 2p16g 1[2] 1.000 M(2P)3F 46 30 -90479.464R 90479.031 -0.4 0.766 2p18d 3F 0.864 E(2P)3F 29 0.449 E(2P)1D 32 0.180 E(2P)3D 30 31 -90478.404R 90479.633 1.2 1.287 2p18d 1D -0.689 E(2P)3P 31 -0.597 E(2P)3D 30 0.369 E(2P)1D 32 32 -90499.414R 90500.608 1.2 1.501 2p18s 3P 1.000 6(2P)3P 6 33 -90501.334R 90500.938 -0.4 0.986 2p17d 3D -0.795 D(2P)1D 28 0.441 D(2P)3F 25 -0.331 D(2P)3D 26 34 -90503.148R 90501.721 -1.4 1.296 2p17d 3P 0.708 D(2P)3D 26 -0.664 D(2P)3P 27 -0.173 D(2P)1D 28 35 90504.289P 90504.229 0.0 0.666 2p17g 1[2] 1.000 N(2P)3F 47 36 90514.518R 90514.145 -0.4 0.766 2p19d 3F 0.864 F(2P)3F 33 0.449 F(2P)1D 36 0.181 F(2P)3D 34 37 -90513.648R 90514.660 1.0 1.287 2p19d 1D -0.690 F(2P)3P 35 -0.597 F(2P)3D 34 0.368 F(2P)1D 36 38 -90541.162R 90542.184 1.0 1.501 2p19s 3P 1.000 7(2P)3P 7 39 -90542.792R 90542.454 -0.3 0.986 2p18d 3D -0.795 E(2P)1D 32 0.441 E(2P)3F 29 -0.330 E(2P)3D 30 40 90544.322R 90543.116 -1.2 1.295 2p18d 3P 0.709 E(2P)3D 30 -0.663 E(2P)3P 31 -0.173 E(2P)1D 32 J 2.0 41 -90544.431R 90544.109 -0.3 0.766 2p20d 3F 0.864 G(2P)3F 37 0.448 G(2P)1D 40 0.181 G(2P)3D 38 42 -90543.708R 90544.553 0.8 1.288 2p20d 1D -0.690 G(2P)3P 39 -0.597 G(2P)3D 38 0.368 G(2P)1D 40 43 90545.293P 90545.236 0.0 0.666 2p18g 1[2] 1.000 O(2P)3F 48 44 90576.463R 90577.345 0.9 1.501 2p20s 3P 1.000 8(2P)3P 8 45 -90577.858R 90577.569 -0.3 0.986 2p19d 3D -0.796 F(2P)1D 36 0.440 F(2P)3F 33 -0.329 F(2P)3D 34 46 -90579.160R 90578.134 -1.0 1.295 2p19d 3P 0.709 F(2P)3D 34 -0.663 F(2P)3P 35 -0.173 F(2P)1D 36 47 90579.995P 90579.941 0.0 0.666 2p19g 1[2] 1.000 P(2P)3F 49 48 -90607.781R 90607.533 -0.2 0.986 2p20d 3D -0.796 G(2P)1D 40 0.440 G(2P)3F 37 -0.328 G(2P)3D 38 49 90608.898R 90608.019 -0.9 1.295 2p20d 3P 0.710 G(2P)3D 38 -0.662 G(2P)3P 39 -0.172 G(2P)1D 40 50 90609.624P 90609.571 0.0 0.666 2p20g 1[2] 1.000 Q(2P)3F 50 50 VECTORS WRITTEN TO UNIT 3 6.00 J 3.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 89913.103P 89913.188 0.0 0.913 2p11g 0[3] -0.654 H(2P)3G 25 -0.572 H(2P)1F 27 -0.495 H(2P)3F 26 2 89976.400P 89976.383 0.0 0.872 2p11g 1[3] 0.756 H(2P)3G 25 -0.494 H(2P)1F 27 -0.429 H(2P)3F 26 3 89977.330P 89977.221 0.0 1.048 2p11g 1[2] 0.756 H(2P)3F 26 -0.655 H(2P)1F 27 4 90058.039P 90058.123 0.0 0.914 2p12g 0[3] -0.652 I(2P)3G 28 -0.573 I(2P)1F 30 -0.496 I(2P)3F 29 5 90121.389P 90121.367 0.0 0.871 2p12g 1[3] 0.758 I(2P)3G 28 -0.493 I(2P)1F 30 -0.427 I(2P)3F 29 6 90122.107P 90122.013 0.0 1.048 2p12g 1[2] 0.756 I(2P)3F 29 -0.655 I(2P)1F 30 7 90165.61 90165.969 0.4 1.120 2p13d 3F -0.678 9(2P)3F 1 0.543 9(2P)1F 3 -0.495 9(2P)3D 2 8 90170.827P 90170.911 0.0 0.915 2p13g 0[3] -0.651 J(2P)3G 31 -0.574 J(2P)1F 33 -0.497 J(2P)3F 32 9 90228.366R 90226.912 -1.5 1.259 2p13d 3D -0.840 9(2P)3D 2 0.534 9(2P)3F 1 -0.098 9(2P)1F 3 10 90230.79 90231.569 0.8 1.038 2p13d 1F -0.834 9(2P)1F 3 -0.505 9(2P)3F 1 -0.224 9(2P)3D 2 11 90234.217P 90234.191 0.0 0.871 2p13g 1[3] 0.759 J(2P)3G 31 -0.492 J(2P)1F 33 -0.426 J(2P)3F 32 12 90234.783P 90234.700 0.0 1.048 2p13g 1[2] 0.756 J(2P)3F 32 -0.655 J(2P)1F 33 13 90255.51 90256.459 0.9 1.114 2p14d 3F -0.683 A(2P)3F 4 0.555 A(2P)1F 6 -0.475 A(2P)3D 5 14 90260.318P 90260.401 0.0 0.915 2p14g 0[3] -0.650 K(2P)3G 34 -0.575 K(2P)1F 36 -0.498 K(2P)3F 35 15 90319.027R 90319.022 0.0 1.232 2p14d 3D -0.771 A(2P)3D 5 0.627 A(2P)3F 4 0.111 A(2P)1F 6 16 90320.43 90321.250 0.8 1.072 2p14d 1F -0.824 A(2P)1F 6 -0.424 A(2P)3D 5 -0.375 A(2P)3F 4 17 90323.737P 90323.708 0.0 0.870 2p14g 1[3] 0.760 K(2P)3G 34 -0.491 K(2P)1F 36 -0.426 K(2P)3F 35 18 90324.191P 90324.117 0.0 1.048 2p14g 1[2] 0.756 K(2P)3F 35 -0.655 K(2P)1F 36 19 90329.52 90329.377 -0.1 1.114 2p15d 3F -0.680 B(2P)3F 7 0.559 B(2P)1F 9 -0.474 B(2P)3D 8 20 90332.511P 90332.595 0.0 0.915 2p15g 0[3] -0.649 L(2P)3G 37 -0.575 L(2P)1F 39 -0.498 L(2P)3F 38 J 3.0 21 90389.0 90389.018 0.0 1.113 2p16d 3F -0.678 C(2P)3F 10 0.562 C(2P)1F 12 -0.474 C(2P)3D 11 22 90391.595P 90391.679 0.0 0.915 2p16g 0[3] -0.648 M(2P)3G 40 -0.576 M(2P)1F 42 -0.498 M(2P)3F 41 23 90392.104R 90392.088 0.0 1.231 2p15d 3D -0.769 B(2P)3D 8 0.629 B(2P)3F 7 0.113 B(2P)1F 9 24 90393.99 90393.908 -0.1 1.073 2p15d 1F -0.821 B(2P)1F 9 -0.428 B(2P)3D 8 -0.377 B(2P)3F 7 25 90395.954P 90395.922 0.0 0.870 2p15g 1[3] 0.761 L(2P)3G 37 -0.490 L(2P)1F 39 -0.425 L(2P)3F 38 26 90396.323P 90396.255 0.0 1.048 2p15g 1[2] 0.756 L(2P)3F 38 -0.655 L(2P)1F 39 27 90438.05 90438.420 0.4 1.113 2p17d 3F -0.676 D(2P)3F 13 0.565 D(2P)1F 15 -0.473 D(2P)3D 14 28 90440.561P 90440.645 0.0 0.916 2p17g 0[3] -0.648 N(2P)3G 43 -0.576 N(2P)1F 45 -0.499 N(2P)3F 44 29 90451.866R 90451.845 0.0 1.230 2p16d 3D -0.768 C(2P)3D 11 0.631 C(2P)3F 10 0.114 C(2P)1F 12 30 90453.16 90453.352 0.2 1.074 2p16d 1F -0.819 C(2P)1F 12 -0.432 C(2P)3D 11 -0.378 C(2P)3F 10 31 90455.055P 90455.022 0.0 0.870 2p16g 1[3] 0.761 M(2P)3G 40 -0.490 M(2P)1F 42 -0.425 M(2P)3F 41 32 90455.360P 90455.296 0.0 1.048 2p16g 1[2] 0.756 M(2P)3F 41 -0.655 M(2P)1F 42 33 90479.39 90479.800 0.4 1.113 2p18d 3F -0.675 E(2P)3F 16 0.566 E(2P)1F 18 -0.473 E(2P)3D 17 34 90481.594P 90481.678 0.0 0.916 2p18g 0[3] -0.647 O(2P)3G 46 -0.576 O(2P)1F 48 -0.499 O(2P)3F 47 35 90501.361R 90501.341 0.0 1.230 2p17d 3D -0.766 D(2P)3D 14 0.632 D(2P)3F 13 0.115 D(2P)1F 15 36 90502.34 90502.601 0.3 1.075 2p17d 1F -0.817 D(2P)1F 15 -0.434 D(2P)3D 14 -0.378 D(2P)3F 13 37 90504.035P 90504.001 0.0 0.870 2p17g 1[3] 0.762 N(2P)3G 43 -0.490 N(2P)1F 45 -0.424 N(2P)3F 44 38 90504.289P 90504.229 0.0 1.048 2p17g 1[2] 0.756 N(2P)3F 44 -0.655 N(2P)1F 45 39 90514.21 90514.804 0.6 1.113 2p19d 3F -0.674 F(2P)3F 19 0.568 F(2P)1F 21 -0.473 F(2P)3D 20 40 90516.320P 90516.403 0.0 0.916 2p19g 0[3] -0.647 P(2P)3G 49 -0.576 P(2P)1F 51 -0.499 P(2P)3F 50 J 3.0 41 90542.814R 90542.795 0.0 1.229 2p18d 3D -0.765 E(2P)3D 17 0.633 E(2P)3F 16 0.115 E(2P)1F 18 42 90543.97 90543.861 -0.1 1.076 2p18d 1F -0.816 E(2P)1F 18 -0.437 E(2P)3D 17 -0.379 E(2P)3F 16 43 90545.6 90544.678 -0.9 1.112 2p20d 3F -0.673 G(2P)3F 22 0.569 G(2P)1F 24 -0.473 G(2P)3D 23 44 90545.079P 90545.043 0.0 0.869 2p18g 1[3] 0.762 O(2P)3G 46 -0.489 O(2P)1F 48 -0.424 O(2P)3F 47 45 90545.293P 90545.236 0.0 1.048 2p18g 1[2] 0.756 O(2P)3F 47 -0.655 O(2P)1F 48 46 90545.967P 90546.051 0.0 0.916 2p20g 0[3] -0.647 Q(2P)3G 52 -0.576 Q(2P)1F 54 -0.499 Q(2P)3F 53 47 90577.875R 90577.860 0.0 1.229 2p19d 3D -0.764 F(2P)3D 20 0.634 F(2P)3F 19 0.116 F(2P)1F 21 48 90578.67 90578.769 0.1 1.076 2p19d 1F -0.815 F(2P)1F 21 -0.438 F(2P)3D 20 -0.379 F(2P)3F 19 49 90579.813P 90579.777 0.0 0.869 2p19g 1[3] 0.762 P(2P)3G 49 -0.489 P(2P)1F 51 -0.424 P(2P)3F 50 50 90579.995P 90579.941 0.0 1.048 2p19g 1[2] 0.756 P(2P)3F 50 -0.655 P(2P)1F 51 51 90607.795R 90607.783 0.0 1.228 2p20d 3D -0.764 G(2P)3D 23 0.635 G(2P)3F 22 0.117 G(2P)1F 24 52 90609.68 90608.566 -1.1 1.077 2p20d 1F -0.814 G(2P)1F 24 -0.440 G(2P)3D 23 -0.380 G(2P)3F 22 53 90609.468P 90609.431 0.0 0.869 2p20g 1[3] 0.763 Q(2P)3G 52 -0.489 Q(2P)1F 54 -0.424 Q(2P)3F 53 54 90609.624P 90609.571 0.0 1.048 2p20g 1[2] -0.756 Q(2P)3F 53 0.655 Q(2P)1F 54 54 VECTORS WRITTEN TO UNIT 3 6.00 J 4.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 89786.777P 89786.709 0.0 0.800 2p10i 1[4] 1.000 R(2P)3H 49 2 89913.104P 89913.189 0.0 1.154 2p11g 0[3] -0.756 H(2P)3F 11 -0.473 H(2P)3G 10 0.452 H(2P)1G 12 3 89913.108P 89913.192 0.0 0.862 2p11g 0[4] 0.851 H(2P)3H 9 0.372 H(2P)1G 12 0.369 H(2P)3G 10 4 89976.066P 89976.083 0.0 0.961 2p11g 1[4] -0.635 H(2P)1G 12 -0.568 H(2P)3G 10 0.523 H(2P)3H 9 5 89976.401P 89976.384 0.0 1.123 2p11g 1[3] -0.654 H(2P)3F 11 0.564 H(2P)3G 10 -0.505 H(2P)1G 12 6 89977.172P 89977.111 0.0 0.800 2p11i 1[4] 1.000 S(2P)3H 50 7 90058.039P 90058.123 0.0 1.155 2p12g 0[3] -0.758 I(2P)3F 15 -0.473 I(2P)3G 14 0.449 I(2P)1G 16 8 90058.041P 90058.125 0.0 0.861 2p12g 0[4] 0.853 I(2P)3H 13 0.372 I(2P)1G 16 0.366 I(2P)3G 14 9 90121.132P 90121.136 0.0 0.962 2p12g 1[4] -0.636 I(2P)1G 16 -0.569 I(2P)3G 14 0.522 I(2P)3H 13 10 90121.389P 90121.367 0.0 1.123 2p12g 1[3] -0.652 I(2P)3F 15 0.565 I(2P)3G 14 -0.506 I(2P)1G 16 11 90121.987P 90121.930 0.0 0.800 2p12i 1[4] 1.000 T(2P)3H 51 12 90170.827P 90170.911 0.0 1.154 2p13g 0[3] -0.757 J(2P)3F 19 0.460 J(2P)1G 20 -0.459 J(2P)3G 18 13 90170.828P 90170.912 0.0 0.863 2p13g 0[4] 0.852 J(2P)3H 17 0.380 J(2P)3G 18 0.357 J(2P)1G 20 14 90226.883R 90228.269 1.4 1.251 2p13d 3F 1.000 9(2P)3F 1 15 90234.015P 90234.009 0.0 0.962 2p13g 1[4] -0.636 J(2P)1G 20 -0.569 J(2P)3G 18 0.521 J(2P)3H 17 16 90234.217P 90234.191 0.0 1.122 2p13g 1[3] -0.651 J(2P)3F 19 0.566 J(2P)3G 18 -0.506 J(2P)1G 20 17 90234.689P 90234.636 0.0 0.800 2p13i 1[4] 1.000 U(2P)3H 52 18 90260.318P 90260.402 0.0 1.148 2p14g 0[3] -0.752 K(2P)3F 23 0.486 K(2P)1G 24 -0.427 K(2P)3G 22 19 90260.318P 90260.402 0.0 0.869 2p14g 0[4] 0.845 K(2P)3H 21 0.415 K(2P)3G 22 0.319 K(2P)1G 24 20 90317.848R 90318.329 0.5 1.251 2p14d 3F 1.000 A(2P)3F 2 J 4.0 21 90323.576P 90323.563 0.0 0.962 2p14g 1[4] -0.637 K(2P)1G 24 -0.570 K(2P)3G 22 0.520 K(2P)3H 21 22 90323.737P 90323.708 0.0 1.122 2p14g 1[3] -0.650 K(2P)3F 23 0.566 K(2P)3G 22 -0.507 K(2P)1G 24 23 90324.117P 90324.066 0.0 0.800 2p14i 1[4] 1.000 V(2P)3H 53 24 90332.512P 90332.595 0.0 1.090 2p15g 0[3] -0.680 L(2P)3F 27 0.560 L(2P)1G 28 0.383 L(2P)3H 25 25 90332.512P 90332.596 0.0 0.926 2p15g 0[4] 0.764 L(2P)3H 25 0.526 L(2P)3G 26 0.341 L(2P)3F 27 26 90391.150R 90391.516 0.4 1.251 2p15d 3F 1.000 B(2P)3F 3 27 90391.595P 90391.679 0.0 1.156 2p16g 0[3] -0.761 M(2P)3F 31 -0.475 M(2P)3G 30 0.441 M(2P)1G 32 28 90391.596P 90391.679 0.0 0.860 2p16g 0[4] 0.855 M(2P)3H 29 0.377 M(2P)1G 32 0.357 M(2P)3G 30 29 90395.823P 90395.805 0.0 0.962 2p15g 1[4] -0.637 L(2P)1G 28 -0.570 L(2P)3G 26 0.519 L(2P)3H 25 30 90395.954P 90395.923 0.0 1.122 2p15g 1[3] -0.649 L(2P)3F 27 0.567 L(2P)3G 26 -0.508 L(2P)1G 28 31 90396.264P 90396.214 0.0 0.800 2p15i 1[4] 1.000 W(2P)3H 54 32 90440.561P 90440.645 0.0 1.156 2p17g 0[3] -0.762 N(2P)3F 35 -0.474 N(2P)3G 34 0.441 N(2P)1G 36 33 90440.562P 90440.645 0.0 0.860 2p17g 0[4] 0.855 N(2P)3H 33 0.375 N(2P)1G 36 0.358 N(2P)3G 34 34 90451.083R 90451.368 0.3 1.251 2p16d 3F 1.000 C(2P)3F 4 35 90454.948P 90454.925 0.0 0.962 2p16g 1[4] -0.637 M(2P)1G 32 -0.570 M(2P)3G 30 0.519 M(2P)3H 29 36 90455.055P 90455.022 0.0 1.121 2p16g 1[3] 0.648 M(2P)3F 31 -0.568 M(2P)3G 30 0.507 M(2P)1G 32 37 90455.311P 90455.263 0.0 0.800 2p16i 1[4] 1.000 X(2P)3H 55 38 90481.594P 90481.678 0.0 1.156 2p18g 0[3] -0.762 O(2P)3F 39 -0.470 O(2P)3G 38 0.445 O(2P)1G 40 39 90481.594P 90481.678 0.0 0.860 2p18g 0[4] 0.855 O(2P)3H 37 0.371 O(2P)1G 40 0.362 O(2P)3G 38 40 90500.711R 90500.938 0.2 1.251 2p17d 3F 1.000 D(2P)3F 5 J 4.0 41 90503.946P 90503.920 0.0 0.962 2p17g 1[4] -0.638 N(2P)1G 36 -0.570 N(2P)3G 34 0.518 N(2P)3H 33 42 90504.035P 90504.001 0.0 1.121 2p17g 1[3] 0.648 N(2P)3F 35 -0.568 N(2P)3G 34 0.508 N(2P)1G 36 43 90504.249P 90504.202 0.0 0.800 2p17i 1[4] 1.000 Y(2P)3H 56 44 90516.320P 90516.403 0.0 1.156 2p19g 0[3] -0.762 P(2P)3F 43 -0.466 P(2P)3G 42 0.449 P(2P)1G 44 45 90516.320P 90516.403 0.0 0.861 2p19g 0[4] 0.855 P(2P)3H 41 0.367 P(2P)3G 42 0.365 P(2P)1G 44 46 90542.268R 90542.452 0.2 1.251 2p18d 3F 1.000 E(2P)3F 6 47 90545.004P 90544.976 0.0 0.963 2p18g 1[4] -0.638 O(2P)1G 40 -0.570 O(2P)3G 38 0.518 O(2P)3H 37 48 90545.079P 90545.043 0.0 1.121 2p18g 1[3] 0.647 O(2P)3F 39 -0.568 O(2P)3G 38 0.508 O(2P)1G 40 49 90545.259P 90545.213 0.0 0.800 2p18i 1[4] 1.000 Z(2P)3H 57 50 90545.967P 90546.051 0.0 1.156 2p20g 0[3] -0.762 Q(2P)3F 47 -0.466 Q(2P)3G 46 0.448 Q(2P)1G 48 51 90545.967P 90546.051 0.0 0.861 2p20g 0[4] 0.855 Q(2P)3H 45 0.366 Q(2P)1G 48 0.366 Q(2P)3G 46 52 90577.412R 90577.565 0.2 1.251 2p19d 3F 1.000 F(2P)3F 7 53 90579.749P 90579.719 0.0 0.963 2p19g 1[4] -0.638 P(2P)1G 44 -0.570 P(2P)3G 42 0.518 P(2P)3H 41 54 90579.813P 90579.777 0.0 1.121 2p19g 1[3] 0.647 P(2P)3F 43 -0.568 P(2P)3G 42 0.508 P(2P)1G 44 55 90579.967P 90579.921 0.0 0.800 2p19i 1[4] 1.000 a(2P)3H 58 56 90607.400R 90607.529 0.1 1.251 2p20d 3F 1.000 G(2P)3F 8 57 90609.413P 90609.381 0.0 0.963 2p20g 1[4] -0.638 Q(2P)1G 48 -0.570 Q(2P)3G 46 0.518 Q(2P)3H 45 58 90609.468P 90609.431 0.0 1.121 2p20g 1[3] 0.647 Q(2P)3F 47 -0.568 Q(2P)3G 46 0.508 Q(2P)1G 48 59 90609.600P 90609.555 0.0 0.800 2p20i 1[4] 1.000 b(2P)3H 59 59 VECTORS WRITTEN TO UNIT 3 6.00 J 5.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 89722.968P 89723.052 0.0 0.943 2p10i 0[5] -0.627 R(2P)3I 31 -0.575 R(2P)1H 33 -0.525 R(2P)3H 32 2 89786.367P 89786.339 0.0 0.905 2p10i 1[4] 0.779 R(2P)3I 31 -0.463 R(2P)1H 33 -0.423 R(2P)3H 32 3 89786.777P 89786.710 0.0 1.018 2p10i 1[5] 0.738 R(2P)3H 32 -0.674 R(2P)1H 33 4 89913.109P 89913.193 0.0 1.068 2p11g 0[4] -0.629 H(2P)3H 1 0.575 H(2P)1H 3 -0.523 H(2P)3G 2 5 89913.429P 89913.512 0.0 0.944 2p11i 0[5] -0.626 S(2P)3I 34 -0.576 S(2P)1H 36 -0.526 S(2P)3H 35 6 89976.067P 89976.084 0.0 1.151 2p11g 1[4] -0.852 H(2P)3G 2 0.387 H(2P)3H 1 -0.352 H(2P)1H 3 7 89976.863P 89976.833 0.0 0.904 2p11i 1[4] 0.780 S(2P)3I 34 -0.462 S(2P)1H 36 -0.423 S(2P)3H 35 8 89977.000P 89976.924 0.0 1.015 2p11g 1[5] 0.739 H(2P)1H 3 0.674 H(2P)3H 1 9 89977.173P 89977.111 0.0 1.018 2p11i 1[5] 0.738 S(2P)3H 35 -0.674 S(2P)1H 36 10 90058.042P 90058.126 0.0 1.068 2p12g 0[4] -0.630 I(2P)3H 4 0.575 I(2P)1H 6 -0.522 I(2P)3G 5 11 90058.290P 90058.373 0.0 0.944 2p12i 0[5] -0.626 T(2P)3I 37 -0.576 T(2P)1H 39 -0.526 T(2P)3H 38 12 90121.133P 90121.136 0.0 1.151 2p12g 1[4] -0.853 I(2P)3G 5 0.386 I(2P)3H 4 -0.351 I(2P)1H 6 13 90121.749P 90121.716 0.0 0.904 2p12i 1[4] 0.780 T(2P)3I 37 -0.462 T(2P)1H 39 -0.422 T(2P)3H 38 14 90121.853P 90121.785 0.0 1.015 2p12g 1[5] 0.739 I(2P)1H 6 0.674 I(2P)3H 4 15 90121.987P 90121.930 0.0 1.018 2p12i 1[5] 0.739 T(2P)3H 38 -0.674 T(2P)1H 39 16 90170.829P 90170.913 0.0 1.068 2p13g 0[4] -0.631 J(2P)3H 7 0.576 J(2P)1H 9 -0.521 J(2P)3G 8 17 90171.025P 90171.108 0.0 0.944 2p13i 0[5] -0.625 U(2P)3I 40 -0.576 U(2P)1H 42 -0.526 U(2P)3H 41 18 90234.016P 90234.010 0.0 1.151 2p13g 1[4] -0.854 J(2P)3G 8 0.385 J(2P)3H 7 -0.351 J(2P)1H 9 19 90234.502P 90234.467 0.0 0.904 2p13i 1[4] 0.780 U(2P)3I 40 -0.462 U(2P)1H 42 -0.422 U(2P)3H 41 20 90234.583P 90234.520 0.0 1.015 2p13g 1[5] 0.739 J(2P)1H 9 0.674 J(2P)3H 7 J 5.0 21 90234.689P 90234.636 0.0 1.018 2p13i 1[5] 0.739 U(2P)3H 41 -0.674 U(2P)1H 42 22 90260.319P 90260.403 0.0 1.067 2p14g 0[4] -0.631 K(2P)3H 10 0.576 K(2P)1H 12 -0.520 K(2P)3G 11 23 90260.476P 90260.560 0.0 0.944 2p14i 0[5] -0.625 V(2P)3I 43 -0.577 V(2P)1H 45 -0.526 V(2P)3H 44 24 90323.577P 90323.564 0.0 1.151 2p14g 1[4] -0.854 K(2P)3G 11 0.384 K(2P)3H 10 -0.350 K(2P)1H 12 25 90323.967P 90323.931 0.0 0.904 2p14i 1[4] 0.781 V(2P)3I 43 -0.462 V(2P)1H 45 -0.421 V(2P)3H 44 26 90324.031P 90323.972 0.0 1.015 2p14g 1[5] 0.739 K(2P)1H 12 0.674 K(2P)3H 10 27 90324.117P 90324.066 0.0 1.018 2p14i 1[5] 0.739 V(2P)3H 44 -0.674 V(2P)1H 45 28 90332.513P 90332.596 0.0 1.067 2p15g 0[4] -0.631 L(2P)3H 13 0.576 L(2P)1H 15 -0.519 L(2P)3G 14 29 90332.641P 90332.724 0.0 0.944 2p15i 0[5] -0.625 W(2P)3I 46 -0.577 W(2P)1H 48 -0.526 W(2P)3H 47 30 90391.596P 90391.679 0.0 1.067 2p16g 0[4] -0.631 M(2P)3H 16 0.576 M(2P)1H 18 -0.519 M(2P)3G 17 31 90391.702P 90391.785 0.0 0.944 2p16i 0[5] -0.624 X(2P)3I 49 -0.577 X(2P)1H 51 -0.527 X(2P)3H 50 32 90395.824P 90395.805 0.0 1.151 2p15g 1[4] -0.855 L(2P)3G 14 0.384 L(2P)3H 13 -0.350 L(2P)1H 15 33 90396.142P 90396.104 0.0 0.904 2p15i 1[4] 0.781 W(2P)3I 46 -0.461 W(2P)1H 48 -0.421 W(2P)3H 47 34 90396.193P 90396.138 0.0 1.015 2p15g 1[5] 0.739 L(2P)1H 15 0.674 L(2P)3H 13 35 90396.264P 90396.214 0.0 1.018 2p15i 1[5] 0.739 W(2P)3H 47 -0.674 W(2P)1H 48 36 90440.562P 90440.645 0.0 1.067 2p17g 0[4] -0.632 N(2P)3H 19 0.577 N(2P)1H 21 -0.518 N(2P)3G 20 37 90440.650P 90440.733 0.0 0.944 2p17i 0[5] -0.624 Y(2P)3I 52 -0.577 Y(2P)1H 54 -0.527 Y(2P)3H 53 38 90454.948P 90454.925 0.0 1.151 2p16g 1[4] -0.855 M(2P)3G 17 0.383 M(2P)3H 16 -0.349 M(2P)1H 18 39 90455.210P 90455.172 0.0 0.904 2p16i 1[4] 0.781 X(2P)3I 49 -0.461 X(2P)1H 51 -0.421 X(2P)3H 50 40 90455.253P 90455.200 0.0 1.015 2p16g 1[5] 0.739 M(2P)1H 18 0.674 M(2P)3H 16 J 5.0 41 90455.311P 90455.263 0.0 1.018 2p16i 1[5] 0.739 X(2P)3H 50 -0.674 X(2P)1H 51 42 90481.594P 90481.678 0.0 1.067 2p18g 0[4] -0.632 O(2P)3H 22 0.577 O(2P)1H 24 -0.518 O(2P)3G 23 43 90481.669P 90481.752 0.0 0.944 2p18i 0[5] -0.624 Z(2P)3I 55 -0.577 Z(2P)1H 57 -0.527 Z(2P)3H 56 44 90503.946P 90503.920 0.0 1.152 2p17g 1[4] -0.855 N(2P)3G 20 0.383 N(2P)3H 19 -0.349 N(2P)1H 21 45 90504.165P 90504.126 0.0 0.904 2p17i 1[4] 0.781 Y(2P)3I 52 -0.461 Y(2P)1H 54 -0.421 Y(2P)3H 53 46 90504.200P 90504.149 0.0 1.015 2p17g 1[5] 0.739 N(2P)1H 21 0.674 N(2P)3H 19 47 90504.249P 90504.202 0.0 1.018 2p17i 1[5] 0.739 Y(2P)3H 53 -0.674 Y(2P)1H 54 48 90516.320P 90516.403 0.0 1.067 2p19g 0[4] -0.632 P(2P)3H 25 0.577 P(2P)1H 27 -0.518 P(2P)3G 26 49 90516.383P 90516.467 0.0 0.944 2p19i 0[5] -0.624 a(2P)3I 58 -0.577 a(2P)1H 60 -0.527 a(2P)3H 59 50 90545.004P 90544.976 0.0 1.152 2p18g 1[4] -0.855 O(2P)3G 23 0.383 O(2P)3H 22 -0.349 O(2P)1H 24 51 90545.189P 90545.149 0.0 0.904 2p18i 1[5] 0.781 Z(2P)3I 55 -0.461 Z(2P)1H 57 -0.421 Z(2P)3H 56 52 90545.218P 90545.168 0.0 1.015 2p18g 1[5] 0.739 O(2P)1H 24 0.674 O(2P)3H 22 53 90545.259P 90545.213 0.0 1.018 2p18i 1[5] 0.739 Z(2P)3H 56 -0.674 Z(2P)1H 57 54 90545.967P 90546.051 0.0 1.067 2p20g 0[4] -0.632 Q(2P)3H 28 0.577 Q(2P)1H 30 -0.518 Q(2P)3G 29 55 90546.022P 90546.105 0.0 0.944 2p20i 0[5] -0.624 b(2P)3I 61 -0.577 b(2P)1H 63 -0.527 b(2P)3H 62 56 90579.749P 90579.719 0.0 1.152 2p19g 1[4] -0.856 P(2P)3G 26 0.383 P(2P)3H 25 -0.349 P(2P)1H 27 57 90579.907P 90579.867 0.0 0.904 2p19i 1[4] 0.781 a(2P)3I 58 -0.461 a(2P)1H 60 -0.421 a(2P)3H 59 58 90579.931P 90579.883 0.0 1.015 2p19g 1[5] 0.739 P(2P)1H 27 0.674 P(2P)3H 25 59 90579.967P 90579.921 0.0 1.018 2p19i 1[5] 0.739 a(2P)3H 59 -0.674 a(2P)1H 60 60 90609.413P 90609.381 0.0 1.152 2p20g 1[4] -0.856 Q(2P)3G 29 0.382 Q(2P)3H 28 -0.349 Q(2P)1H 30 J 5.0 61 90609.548P 90609.508 0.0 0.904 2p20i 1[4] 0.781 b(2P)3I 61 -0.461 b(2P)1H 63 -0.421 b(2P)3H 62 62 90609.569P 90609.522 0.0 1.015 2p20g 1[5] 0.739 Q(2P)1H 30 0.674 Q(2P)3H 28 63 90609.600P 90609.555 0.0 1.018 2p20i 1[5] -0.739 b(2P)3H 62 0.674 b(2P)1H 63 63 VECTORS WRITTEN TO UNIT 3 6.00 J 6.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 89722.968P 89723.052 0.0 0.920 2p10i 0[5] 0.798 R(2P)3K 11 0.511 R(2P)1I 14 -0.250 R(2P)3H 13 2 89722.969P 89723.052 0.0 1.088 2p10i 0[6] 0.737 R(2P)3H 13 0.553 R(2P)3I 12 -0.277 R(2P)1I 14 3 89786.269P 89786.251 0.0 0.966 2p10i 1[5] -0.618 R(2P)1I 14 -0.573 R(2P)3I 12 0.538 R(2P)3K 11 4 89786.367P 89786.340 0.0 1.074 2p10i 1[6] -0.627 R(2P)3H 13 0.571 R(2P)3I 12 -0.530 R(2P)1I 14 5 89913.429P 89913.513 0.0 0.904 2p11i 0[5] 0.836 S(2P)3K 15 0.449 S(2P)1I 18 0.298 S(2P)3I 16 6 89913.430P 89913.513 0.0 1.104 2p11i 0[6] 0.772 S(2P)3H 17 0.505 S(2P)3I 16 -0.367 S(2P)1I 18 7 89976.790P 89976.767 0.0 0.967 2p11i 1[5] -0.618 S(2P)1I 18 -0.574 S(2P)3I 16 0.537 S(2P)3K 15 8 89976.864P 89976.833 0.0 1.073 2p11i 1[6] -0.626 S(2P)3H 17 0.571 S(2P)3I 16 -0.531 S(2P)1I 18 9 89977.000P 89976.924 0.0 1.167 2p11g 1[5] 1.000 H(2P)3H 1 10 90058.290P 90058.373 0.0 1.107 2p12i 0[5] 0.780 T(2P)3H 21 0.459 T(2P)3I 20 -0.425 T(2P)1I 22 11 90058.290P 90058.373 0.0 0.901 2p12i 0[6] -0.844 T(2P)3K 19 -0.394 T(2P)1I 22 -0.364 T(2P)3I 20 12 90121.693P 90121.665 0.0 0.967 2p12i 1[5] -0.619 T(2P)1I 22 -0.573 T(2P)3I 20 0.536 T(2P)3K 19 13 90121.749P 90121.716 0.0 1.073 2p12i 1[6] -0.626 T(2P)3H 21 0.572 T(2P)3I 20 -0.530 T(2P)1I 22 14 90121.853P 90121.785 0.0 1.167 2p12g 1[5] 1.000 I(2P)3H 2 15 90171.025P 90171.108 0.0 1.107 2p13i 0[5] 0.780 U(2P)3H 25 0.459 U(2P)3I 24 -0.425 U(2P)1I 26 16 90171.025P 90171.108 0.0 0.901 2p13i 0[6] -0.844 U(2P)3K 23 -0.393 U(2P)1I 26 -0.364 U(2P)3I 24 17 90234.458P 90234.427 0.0 0.967 2p13i 1[5] -0.620 U(2P)1I 26 -0.574 U(2P)3I 24 0.536 U(2P)3K 23 18 90234.502P 90234.467 0.0 1.073 2p13i 1[6] -0.625 U(2P)3H 25 0.573 U(2P)3I 24 -0.530 U(2P)1I 26 19 90234.583P 90234.520 0.0 1.167 2p13g 1[5] 1.000 J(2P)3H 3 20 90260.476P 90260.560 0.0 1.107 2p14i 0[5] 0.781 V(2P)3H 29 0.459 V(2P)3I 28 -0.425 V(2P)1I 30 J 6.0 21 90260.476P 90260.560 0.0 0.901 2p14i 0[6] 0.844 V(2P)3K 27 0.393 V(2P)1I 30 0.364 V(2P)3I 28 22 90323.931P 90323.899 0.0 0.967 2p14i 1[5] 0.620 V(2P)1I 30 0.574 V(2P)3I 28 -0.536 V(2P)3K 27 23 90323.967P 90323.931 0.0 1.073 2p14i 1[6] -0.625 V(2P)3H 29 0.573 V(2P)3I 28 -0.530 V(2P)1I 30 24 90324.031P 90323.973 0.0 1.167 2p14g 1[5] 1.000 K(2P)3H 4 25 90332.641P 90332.724 0.0 1.107 2p15i 0[5] 0.781 W(2P)3H 33 0.458 W(2P)3I 32 -0.424 W(2P)1I 34 26 90332.641P 90332.724 0.0 0.901 2p15i 0[6] -0.845 W(2P)3K 31 -0.393 W(2P)1I 34 -0.364 W(2P)3I 32 27 90391.702P 90391.785 0.0 1.107 2p16i 0[5] -0.781 X(2P)3H 37 -0.458 X(2P)3I 36 0.424 X(2P)1I 38 28 90391.702P 90391.785 0.0 0.901 2p16i 0[6] 0.845 X(2P)3K 35 0.393 X(2P)1I 38 0.364 X(2P)3I 36 29 90396.113P 90396.078 0.0 0.967 2p15i 1[5] -0.620 W(2P)1I 34 -0.574 W(2P)3I 32 0.535 W(2P)3K 31 30 90396.142P 90396.104 0.0 1.073 2p15i 1[6] -0.625 W(2P)3H 33 0.573 W(2P)3I 32 -0.530 W(2P)1I 34 31 90396.193P 90396.138 0.0 1.167 2p15g 1[5] 1.000 L(2P)3H 5 32 90440.650P 90440.733 0.0 1.107 2p17i 0[5] 0.781 Y(2P)3H 41 0.458 Y(2P)3I 40 -0.424 Y(2P)1I 42 33 90440.650P 90440.733 0.0 0.901 2p17i 0[6] -0.845 Y(2P)3K 39 -0.393 Y(2P)1I 42 -0.364 Y(2P)3I 40 34 90455.187P 90455.151 0.0 0.967 2p16i 1[5] -0.620 X(2P)1I 38 -0.574 X(2P)3I 36 0.535 X(2P)3K 35 35 90455.210P 90455.172 0.0 1.073 2p16i 1[6] 0.624 X(2P)3H 37 -0.573 X(2P)3I 36 0.531 X(2P)1I 38 36 90455.252P 90455.200 0.0 1.167 2p16g 1[5] 1.000 M(2P)3H 6 37 90481.669P 90481.752 0.0 1.107 2p18i 0[5] 0.781 Z(2P)3H 45 0.458 Z(2P)3I 44 -0.424 Z(2P)1I 46 38 90481.669P 90481.752 0.0 0.901 2p18i 0[6] -0.845 Z(2P)3K 43 -0.393 Z(2P)1I 46 -0.364 Z(2P)3I 44 39 90504.145P 90504.108 0.0 0.967 2p17i 1[5] -0.620 Y(2P)1I 42 -0.574 Y(2P)3I 40 0.535 Y(2P)3K 39 40 90504.165P 90504.126 0.0 1.073 2p17i 1[6] -0.624 Y(2P)3H 41 0.573 Y(2P)3I 40 -0.531 Y(2P)1I 42 J 6.0 41 90504.200P 90504.149 0.0 1.167 2p17g 1[5] 1.000 N(2P)3H 7 42 90516.383P 90516.467 0.0 1.107 2p19i 0[5] 0.781 a(2P)3H 49 0.458 a(2P)3I 48 -0.424 a(2P)1I 50 43 90516.383P 90516.467 0.0 0.901 2p19i 0[6] 0.845 a(2P)3K 47 0.393 a(2P)1I 50 0.363 a(2P)3I 48 44 90545.172P 90545.134 0.0 0.967 2p18i 1[5] -0.620 Z(2P)1I 46 -0.574 Z(2P)3I 44 0.535 Z(2P)3K 43 45 90545.189P 90545.149 0.0 1.073 2p18i 1[6] -0.624 Z(2P)3H 45 0.573 Z(2P)3I 44 -0.531 Z(2P)1I 46 46 90545.218P 90545.168 0.0 1.167 2p18g 1[5] 1.000 O(2P)3H 8 47 90546.022P 90546.105 0.0 1.107 2p20i 0[5] -0.781 b(2P)3H 53 -0.458 b(2P)3I 52 0.424 b(2P)1I 54 48 90546.022P 90546.105 0.0 0.901 2p20i 0[6] 0.845 b(2P)3K 51 0.393 b(2P)1I 54 0.363 b(2P)3I 52 49 90579.892P 90579.854 0.0 0.967 2p19i 1[5] -0.620 a(2P)1I 50 -0.574 a(2P)3I 48 0.535 a(2P)3K 47 50 90579.907P 90579.867 0.0 1.073 2p19i 1[6] -0.624 a(2P)3H 49 0.573 a(2P)3I 48 -0.531 a(2P)1I 50 51 90579.931P 90579.883 0.0 1.167 2p19g 1[5] 1.000 P(2P)3H 9 52 90609.536P 90609.497 0.0 0.967 2p20i 1[5] -0.620 b(2P)1I 54 -0.574 b(2P)3I 52 0.535 b(2P)3K 51 53 90609.548P 90609.508 0.0 1.073 2p20i 1[6] -0.624 b(2P)3H 53 0.573 b(2P)3I 52 -0.531 b(2P)1I 54 54 90609.569P 90609.522 0.0 1.167 2p20g 1[5] 1.000 Q(2P)3H 10 54 VECTORS WRITTEN TO UNIT 3 6.00 J 7.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 89722.969P 89723.053 0.0 1.048 2p10i 0[7] -0.616 R(2P)3K 1 0.576 R(2P)1K 3 -0.538 R(2P)3I 2 2 89786.269P 89786.252 0.0 1.105 2p10i 1[6] -0.843 R(2P)3I 2 0.393 R(2P)3K 1 -0.367 R(2P)1K 3 3 89786.679P 89786.621 0.0 1.008 2p10i 1[7] 0.730 R(2P)1K 3 0.683 R(2P)3K 1 4 89913.430P 89913.513 0.0 1.048 2p11i 0[7] -0.616 S(2P)3K 4 0.576 S(2P)1K 6 -0.537 S(2P)3I 5 5 89976.790P 89976.767 0.0 1.105 2p11i 1[6] -0.844 S(2P)3I 5 0.392 S(2P)3K 4 -0.367 S(2P)1K 6 6 89977.099P 89977.045 0.0 1.008 2p11i 1[7] 0.730 S(2P)1K 6 0.683 S(2P)3K 4 7 90058.290P 90058.373 0.0 1.048 2p12i 0[7] -0.616 T(2P)3K 7 0.577 T(2P)1K 9 -0.536 T(2P)3I 8 8 90121.693P 90121.665 0.0 1.105 2p12i 1[6] -0.844 T(2P)3I 8 0.392 T(2P)3K 7 -0.366 T(2P)1K 9 9 90121.931P 90121.880 0.0 1.008 2p12i 1[7] 0.730 T(2P)1K 9 0.683 T(2P)3K 7 10 90171.025P 90171.108 0.0 1.048 2p13i 0[7] -0.617 U(2P)3K 10 0.577 U(2P)1K 12 -0.536 U(2P)3I 11 11 90234.458P 90234.427 0.0 1.105 2p13i 1[6] -0.844 U(2P)3I 11 0.391 U(2P)3K 10 -0.366 U(2P)1K 12 12 90234.645P 90234.596 0.0 1.008 2p13i 1[7] 0.730 U(2P)1K 12 0.683 U(2P)3K 10 13 90260.476P 90260.560 0.0 1.048 2p14i 0[7] -0.617 V(2P)3K 13 0.577 V(2P)1K 15 -0.536 V(2P)3I 14 14 90323.931P 90323.899 0.0 1.105 2p14i 1[6] -0.844 V(2P)3I 14 0.391 V(2P)3K 13 -0.366 V(2P)1K 15 15 90324.081P 90324.034 0.0 1.008 2p14i 1[7] 0.730 V(2P)1K 15 0.683 V(2P)3K 13 16 90332.641P 90332.724 0.0 1.048 2p15i 0[7] -0.617 W(2P)3K 16 0.577 W(2P)1K 18 -0.535 W(2P)3I 17 17 90391.702P 90391.785 0.0 1.048 2p16i 0[7] -0.617 X(2P)3K 19 0.577 X(2P)1K 21 -0.535 X(2P)3I 20 18 90396.113P 90396.078 0.0 1.105 2p15i 1[6] -0.845 W(2P)3I 17 0.391 W(2P)3K 16 -0.366 W(2P)1K 18 19 90396.235P 90396.188 0.0 1.008 2p15i 1[7] 0.730 W(2P)1K 18 0.683 W(2P)3K 16 20 90440.650P 90440.733 0.0 1.048 2p17i 0[7] -0.617 Y(2P)3K 22 0.577 Y(2P)1K 24 -0.535 Y(2P)3I 23 J 7.0 21 90455.187P 90455.151 0.0 1.105 2p16i 1[6] -0.845 X(2P)3I 20 0.391 X(2P)3K 19 -0.366 X(2P)1K 21 22 90455.287P 90455.241 0.0 1.008 2p16i 1[7] 0.730 X(2P)1K 21 0.683 X(2P)3K 19 23 90481.669P 90481.752 0.0 1.048 2p18i 0[7] -0.617 Z(2P)3K 25 0.577 Z(2P)1K 27 -0.535 Z(2P)3I 26 24 90504.145P 90504.108 0.0 1.105 2p17i 1[6] -0.845 Y(2P)3I 23 0.391 Y(2P)3K 22 -0.366 Y(2P)1K 24 25 90504.229P 90504.184 0.0 1.008 2p17i 1[7] 0.730 Y(2P)1K 24 0.683 Y(2P)3K 22 26 90516.383P 90516.467 0.0 1.048 2p19i 0[7] -0.617 a(2P)3K 28 0.577 a(2P)1K 30 -0.535 a(2P)3I 29 27 90545.172P 90545.134 0.0 1.105 2p18i 1[7] -0.845 Z(2P)3I 26 0.391 Z(2P)3K 25 -0.366 Z(2P)1K 27 28 90545.242P 90545.198 0.0 1.008 2p18i 1[7] 0.730 Z(2P)1K 27 0.683 Z(2P)3K 25 29 90546.022P 90546.105 0.0 1.048 2p20i 0[7] -0.617 b(2P)3K 31 0.577 b(2P)1K 33 -0.535 b(2P)3I 32 30 90579.892P 90579.854 0.0 1.105 2p19i 1[6] -0.845 a(2P)3I 29 0.391 a(2P)3K 28 -0.365 a(2P)1K 30 31 90579.953P 90579.908 0.0 1.008 2p19i 1[7] 0.730 a(2P)1K 30 0.683 a(2P)3K 28 32 90609.536P 90609.497 0.0 1.105 2p20i 1[6] 0.845 b(2P)3I 32 -0.391 b(2P)3K 31 0.365 b(2P)1K 33 33 90609.588P 90609.544 0.0 1.008 2p20i 1[7] 0.730 b(2P)1K 33 0.683 b(2P)3K 31 33 VECTORS WRITTEN TO UNIT 3 6.00 J 8.0 1 2p13s 2 2p14s 3 2p15s 4 2p16s 5 2p17s 6 2p18s 7 2p19s 8 2p20s 9 2p13d A 2p14d B 2p15d C 2p16d D 2p17d E 2p18d F 2p19d G 2p20d H 2p11g I 2p12g J 2p13g K 2p14g L 2p15g M 2p16g N 2p17g O 2p18g P 2p19g Q 2p20g R 2p10i S 2p11i T 2p12i U 2p13i V 2p14i W 2p15i X 2p16i Y 2p17i Z 2p18i a 2p19i b 2p20i OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 89786.680P 89786.622 0.0 1.125 2p10i 1[7] 1.000 R(2P)3K 1 2 89977.099P 89977.045 0.0 1.125 2p11i 1[7] 1.000 S(2P)3K 2 3 90121.931P 90121.880 0.0 1.125 2p12i 1[7] 1.000 T(2P)3K 3 4 90234.645P 90234.596 0.0 1.125 2p13i 1[7] 1.000 U(2P)3K 4 5 90324.081P 90324.034 0.0 1.125 2p14i 1[7] 1.000 V(2P)3K 5 6 90396.235P 90396.188 0.0 1.125 2p15i 1[7] 1.000 W(2P)3K 6 7 90455.287P 90455.241 0.0 1.125 2p16i 1[7] 1.000 X(2P)3K 7 8 90504.229P 90504.184 0.0 1.125 2p17i 1[7] 1.000 Y(2P)3K 8 9 90545.242P 90545.198 0.0 1.125 2p18i 1[7] 1.000 Z(2P)3K 9 10 90579.953P 90579.908 0.0 1.125 2p19i 1[7] 1.000 a(2P)3K 10 11 90609.588P 90609.544 0.0 1.125 2p20i 1[7] 1.000 b(2P)3K 11 11 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 9-NOV-2004 21:43:10.74 Accounting information: Buffered I/O count: 185 Peak working set size: 9600 Direct I/O count: 398 Peak virtual size: 322416 Page faults: 1826 Mounted volumes: 0 Charged CPU time: 0 00:00:01.04 Elapsed time: 0 00:00:03.89