$ 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:B0600ER.PUN FOR007 $ASSIGN 0600:H0600ER.HAM FOR001 $ASSIGN POOLQ:C0600ER.EIG FOR003 $ASSIGN EAV0600ER.DAT FOR066 $ASSIGN POOLG:B0600E15 FOR015 $ASSIGN POOLG:B0600E16 FOR016 $RUN CRAY:LEAST3007 NPAR 234 NJ10 FIRSTJ 0.0 1 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 2 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 3 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 4 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 5 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 6 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 7 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 8 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 9 s 2 p 1 p 1 f 0 h 0 k 0 m 0 o 0 A s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 B s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 C s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 D s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 E s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 F s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 G s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 H s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 I s 2 p 1 p 0 f 1 h 0 k 0 m 0 o 0 J s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 K s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 L s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 M s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 N s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 O s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 P s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 Q s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 R s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 S s 2 p 1 p 0 f 0 h 1 k 0 m 0 o 0 T s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 U s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 V s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 W s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 X s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 Y s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 Z s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 a s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 b s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 c s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 d s 2 p 1 p 0 f 0 h 0 k 1 m 0 o 0 LS STATES FOR LOWEST CONFIGURATION 0.0 1(2P)3P 1 0.0 1(2P)1S 2 1.0 1(2P)3D 1 1.0 1(2P)3P 2 1.0 1(2P)3S 3 1.0 1(2P)1P 4 2.0 1(2P)3D 1 2.0 1(2P)3P 2 2.0 1(2P)1D 3 3.0 1(2P)3D 1 TOTAL 10 18 45 54 55 57 60 63 54 33 11 0 0 0 0 0 0 0 0 0 0 0 0 0 450 63 1 0 18 63 117 172 229 289 352 406 439 450 450 450 450 450 450 450 450 450 450 450 450 450 0 1 2 3 4 5 6 7 8 9 1 0 0 0 0.250 2.000 1 1.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1.0 18 45 54 55 57 60 63 54 33 11 0 0 0 0 0 0 0 0 0 0 0 0 0 6.00 2p12p 2p13p 2p14p 2p15p 2p16p 2p17p 2p18p 2p19p 2p20p 2p12f 2p13f 2p14f 2p15f 2p16f 2p17f 2p18f 2p19f 2p20f 2p11h 2p12h 2p13h 2p14h 2p15h 2p16h 2p17h 2p18h 2p19h 2p20h 2p10k 2p11k 2p12k 2p13k 2p14k 2p15k 2p16k 2p17k 2p18k 2p19k 2p20k SENORITY MIXING CORRECTIONS 0 0.0 -89982.047R 2p12p 3P 2p12p 3P RITZ 0 0.0 -90058.958R 2p12p 1S 2p12p 1S RITZ 0 0.0 -90111.589R 2p13p 3P 2p13p 3P RITZ 0 0.0 -90185.018R 2p13p 1S 2p13p 1S RITZ 0 0.0 -90213.243R 2p14p 3P 2p14p 3P RITZ 0 0.0 -90284.289R 2p14p 1S 2p14p 1S RITZ 0 0.0 -90294.483R 2p15p 3P 2p15p 3P RITZ 0 0.0 -90363.846R 2p15p 1S 2p15p 1S RITZ 0 0.0 -90360.435R 2p16p 3P 2p16p 3P RITZ 0 0.0 -90414.710R 2p17p 3P 2p17p 3P RITZ 0 0.0 -90428.576R 2p16p 1S 2p16p 1S RITZ 0 0.0 -90459.912R 2p18p 3P 2p18p 3P RITZ 0 0.0 -90481.944R 2p17p 1S 2p17p 1S RITZ 0 0.0 -90497.956R 2p19p 3P 2p19p 3P RITZ 0 0.0 -90526.458R 2p18p 1S 2p18p 1S RITZ 0 0.0 -90530.280R 2p20p 3P 2p20p 3P RITZ 0 0.0 -90563.971R 2p19p 1S 2p19p 1S RITZ 0 0.0 -90595.878R 2p20p 1S 2p20p 1S RITZ 0 1.0 -89972.470R 2p12p 3D 2p12p 3D RITZ 0 1.0 -89963.499R 2p12p 1P 2p12p 1P RITZ 0 1.0 -90034.026R 2p12p 3S 2p12p 3S RITZ 0 1.0 -90036.422R 2p12p 3P 2p12p 3P RITZ 0 1.0 -90104.305R 2p13p 3D 2p13p 3D RITZ 0 1.0 -90097.074R 2p13p 1P 2p13p 1P RITZ 0 1.0 P 2p12f 1[1] 2p12f 1[1] POLARIZATION 0 1.0 -90165.963R 2p13p 3S 2p13p 3S RITZ 0 1.0 -90167.743R 2p13p 3P 2p13p 3P RITZ 0 1.0 -90207.570R 2p14p 3D 2p14p 3D RITZ 0 1.0 -90201.675R 2p14p 1P 2p14p 1P RITZ 0 1.0 P 2p13f 1[1] 2p13f 1[1] POLARIZATION 0 1.0 -90269.396R 2p14p 3S 2p14p 3S RITZ 0 1.0 -90270.755R 2p14p 3P 2p14p 3P RITZ 0 1.0 -90289.977R 2p15p 3D 2P15p 3D RITZ 0 1.0 -90285.118R 2p15p 1P 2p15p 1P RITZ 0 1.0 P 2p14f 1[1] 2p14f 1[1] POLARIZATION 0 1.0 -90351.982R 2p15p 3S 2p15p 3S RITZ 0 1.0 -90353.044R 2p15p 3P 2p15p 3P RITZ 0 1.0 -90356.794R 2p16p 3D 2p16p 3D RITZ 0 1.0 -90352.748R 2p16p 1P 2p16p 1P RITZ 0 1.0 P 2p15f 1[1] 2p15f 1[1] POLARIZATION 0 1.0 -90411.725R 2p17p 3D 2p17p 3D RITZ 0 1.0 -90408.324R 2p17p 1P 2p17p 1P RITZ 0 1.0 -90418.970R 2p16p 3S 2p16p 3S RITZ 0 1.0 -90419.816R 2p16p 3P 2p16p 3P RITZ 0 1.0 P 2p16f 1[1] 2p16f 1[1] POLARIZATION 0 1.0 -90457.433R 2p18p 3D 2p18p 3D RITZ 0 1.0 -90454.550R 2p18p 1P 2p18p 1P RITZ 0 1.0 -90474.055R 2p17p 3S 2p17p 3S RITZ 0 1.0 -90474.740R 2p17p 3P 2p17p 3P RITZ 0 1.0 -90495.875R 2p19p 3D 2p19p 3D RITZ 0 1.0 -90493.411R 2p19p 1P 2p19p 1P RITZ 0 1.0 P 2p17f 1[1] 2p17f 1[1] POLARIZATION 0 1.0 -90519.898R 2p18p 3S 2p18p 3S RITZ 0 1.0 -90520.461R 2p18p 3P 2p18p 3P RITZ 0 1.0 -90528.514R 2p20p 3D 2p20p 3D RITZ 0 1.0 -90526.394R 2p20p 1P 2p20p 1P RITZ 0 1.0 P 2p18f 1[1] 2p18f 1[1] POLARIZATION 0 1.0 -90558.457R 2p19p 3S 2p19p 3S RITZ 0 1.0 -90558.926R 2p19p 3P 2p19p 3P RITZ 0 1.0 P 2p19f 1[1] 2p19f 1[1] POLARIZATION 0 1.0 -90591.198R 2p20p 3S 2p20p 3S RITZ 0 1.0 -90591.592R 2p20p 3P 2p20p 3P RITZ 0 1.0 P 2p20f 1[1] 2p20f 1[1] POLARIZATION 0 2.0 -89973.317R 2p12p 3D 2p12p 3D RITZ 0 2.0 -90036.888R 2p12p 3P 2p12p 3P RITZ 0 2.0 -90046.870R 2p12p 1D 2p12p 1D RITZ 0 2.0 P 2p12f 0[2] 2p12f 0[2] POLARIZATION 0 2.0 -90104.961R 2p13p 3D 2p13p 3D RITZ 0 2.0 P 2p12f 1[2] 2p12f 1[2] POLARIZATION 0 2.0 P 2p12f 1[1] 2p12f 1[1] POLARIZATION 0 2.0 -90168.061R 2p13p 3P 2p13p 3P RITZ 0 2.0 P 2p13f 0[2] 2p13f 0[2] POLARIZATION 0 2.0 -90175.720R 2p13p 1D 2p13p 1D RITZ 0 2.0 -90208.090R 2p14p 3D 2p14p 3D RITZ 0 2.0 P 2p13f 1[2] 2p13f 1[2] POLARIZATION 0 2.0 P 2p13f 1[1] 2p13f 1[1] POLARIZATION 0 2.0 P 2p14f 0[2] 2p14f 0[2] POLARIZATION 0 2.0 -90270.978R 2p14p 3P 2p14p 3P RITZ 0 2.0 -90276.984R 2p14p 1D 2p14p 1D RITZ 0 2.0 -90290.395R 2p15p 3D 2p15p 3D RITZ 0 2.0 P 2p14f 1[2] 2p14f 1[2] POLARIZATION 0 2.0 P 2p14f 1[1] 2p14f 1[1] POLARIZATION 0 2.0 P 2p15f 0[2] 2p15f 0[2] POLARIZATION 0 2.0 -90353.205R 2p15p 3P 2p15p 3P RITZ 0 2.0 -90357.135R 2p16p 3D 2p16p 3D RITZ 0 2.0 -90358.002R 2p15p 1D 2p15p 1D RITZ 0 2.0 P 2p16f 0[2] 2p16f 0[2] POLARIZATION 0 2.0 P 2p15f 1[2] 2p15f 1[2] POLARIZATION 0 2.0 P 2p15f 1[1] 2p15f 1[1] POLARIZATION 0 2.0 -90412.007R 2p17p 3D 2p17p 3D RITZ 0 2.0 -90419.934R 2p16p 3P 2p16p 3P RITZ 0 2.0 -90423.828R 2p16p 1D 2p16p 1D RITZ 0 2.0 P 2p17f 0[2] 2p17f 0[2] POLARIZATION 0 2.0 P 2p16f 1[2] 2p16f 1[2] POLARIZATION 0 2.0 P 2p16f 1[1] 2p16f 1[1] POLARIZATION 0 2.0 -90457.669R 2p18p 3D 2p18p 3D RITZ 0 2.0 -90474.829R 2p17p 3P 2p17p 3P RITZ 0 2.0 -90478.033R 2p17p 1D 2p17p 1D RITZ 0 2.0 P 2p18f 0[2] 2p18f 0[2] POLARIZATION 0 2.0 -90496.075R 2p19p 3D 2p19p 3D RITZ 0 2.0 P 2p17f 1[2] 2p17f 1[2] POLARIZATION 0 2.0 P 2p17f 1[1] 2p17f 1[1] POLARIZATION 0 2.0 P 2p19f 0[2] 2p19f 0[2] POLARIZATION 0 2.0 -90520.529R 2p18p 3P 2p18p 3P RITZ 0 2.0 -90523.197R 2p18p 1D 2p18p 1D RITZ 0 2.0 -90528.685R 2p20p 3D 2p20p 3D RITZ 0 2.0 P 2p18f 1[2] 2p18f 1[2] POLARIZATION 0 2.0 P 2p18f 1[1] 2p18f 1[1] POLARIZATION 0 2.0 P 2p20f 0[2] 2p20f 0[2] POLARIZATION 0 2.0 -90558.979R 2p19p 3P 2p19p 3P RITZ 0 2.0 -90561.225R 2p19p 1D 2p19p 1D RITZ 0 2.0 P 2p19f 1[2] 2p19f 1[2] POLARIZATION 0 2.0 P 2p19f 1[1] 2p19f 1[1] POLARIZATION 0 2.0 -90591.634R 2p20p 3P 2p20p 3P RITZ 0 2.0 -90593.542R 2p20p 1D 2p20p 1D RITZ 0 2.0 P 2p20f 1[2] 2p20f 1[2] POLARIZATION 0 2.0 P 2p20f 1[1] 2p20f 1[1] POLARIZATION 0 3.0 P 2p11h 1[3] 2p11h 1[3] POLARIZATION 0 3.0 -90027.894R 2p12p 3D 2p12p 3D RITZ 0 3.0 P 2p12f 0[2] 2p12f 0[2] POLARIZATION 0 3.0 P 2p12f 0[3] 2p12f 0[3] POLARIZATION 0 3.0 P 2p12f 1[3] 2p12f 1[3] POLARIZATION 0 3.0 P 2p12f 1[2] 2p12f 1[2] POLARIZATION 0 3.0 P 2p12h 1[3] 2p12h 1[3] POLARIZATION 0 3.0 -90161.209R 2p13p 3D 2p13p 3D RITZ 0 3.0 P 2p13f 0[2] 2p13f 0[2] POLARIZATION 0 3.0 P 2p13f 0[3] 2p13f 0[3] POLARIZATION 0 3.0 P 2p13f 1[3] 2p13f 1[3] POLARIZATION 0 3.0 P 2p13f 1[2] 2p13f 1[2] POLARIZATION 0 3.0 P 2p13h 1[3] 2p13h 1[3] POLARIZATION 0 3.0 P 2p14f 0[2] 2p14f 0[2] POLARIZATION 0 3.0 P 2p14f 0[3] 2p14f 0[3] POLARIZATION 0 3.0 -90265.635R 2p14p 3D 2p14p 3D RITZ 0 3.0 P 2p14f 1[3] 2p14f 1[3] POLARIZATION 0 3.0 P 2p14f 1[2] 2p14f 1[2] POLARIZATION 0 3.0 P 2p14h 1[3] 2p14h 1[3] POLARIZATION 0 3.0 P 2p15f 0[2] 2p15f 0[2] POLARIZATION 0 3.0 P 2p15f 0[3] 2p15f 0[3] POLARIZATION 0 3.0 -90348.957R 2p15p 3D 2p15p 3D RITZ 0 3.0 P 2p16f 0[2] 2p16f 0[2] POLARIZATION 0 3.0 P 2p16f 0[3] 2p16f 0[3] POLARIZATION 0 3.0 P 2p15f 1[3] 2p15f 1[3] POLARIZATION 0 3.0 P 2p15f 1[2] 2p15f 1[2] POLARIZATION 0 3.0 P 2p15h 1[3] 2p15h 1[3] POLARIZATION 0 3.0 -90416.500R 2p16p 3D 2p16p 3D RITZ 0 3.0 P 2p17f 0[2] 2p17f 0[2] POLARIZATION 0 3.0 P 2p17f 0[3] 2p17f 0[3] POLARIZATION 0 3.0 P 2p16f 1[3] 2p16f 1[3] POLARIZATION 0 3.0 P 2p16f 1[2] 2p16f 1[2] POLARIZATION 0 3.0 P 2p16h 1[3] 2p16h 1[3] POLARIZATION 0 3.0 -90472.011R 2p17p 3D 2p17p 3D RITZ 0 3.0 P 2p18f 0[2] 2p18f 0[2] POLARIZATION 0 3.0 P 2p18f 0[3] 2p18f 0[3] POLARIZATION 0 3.0 P 2p17f 1[3] 2p17f 1[3] POLARIZATION 0 3.0 P 2p17f 1[2] 2p17f 1[2] POLARIZATION 0 3.0 P 2p17h 1[3] 2p17h 1[3] POLARIZATION 0 3.0 P 2p19f 0[2] 2p19f 0[2] POLARIZATION 0 3.0 P 2p19f 0[3] 2p19f 0[3] POLARIZATION 0 3.0 -90518.189R 2p18p 3D 2p18p 3D RITZ 0 3.0 P 2p18f 1[3] 2p18f 1[3] POLARIZATION 0 3.0 P 2p18f 1[2] 2p18f 1[2] POLARIZATION 0 3.0 P 2p18h 1[3] 2p18h 1[3] POLARIZATION 0 3.0 P 2p20f 0[2] 2p20f 0[2] POLARIZATION 0 3.0 P 2p20f 0[3] 2p20f 0[3] POLARIZATION 0 3.0 -90557.013R 2p19p 3D 2p19p 3D RITZ 0 3.0 P 2p19f 1[3] 2p19f 1[3] POLARIZATION 0 3.0 P 2p19f 1[2] 2p19f 1[2] POLARIZATION 0 3.0 P 2p19h 1[3] 2p19h 1[3] POLARIZATION 0 3.0 -90589.966R 2p20p 3D 2p20p 3D RITZ 0 3.0 P 2p20f 1[3] 2p20f 1[3] POLARIZATION 0 3.0 P 2p20f 1[2] 2p20f 1[2] POLARIZATION 0 3.0 P 2p20h 1[3] 2p20h 1[3] POLARIZATION 0 4.0 P 2p11h 0[4] 2p11h 0[4] POLARIZATION 0 4.0 P 2p11h 1[4] 2p11h 1[4] POLARIZATION 0 4.0 P 2p11h 1[3] 2p11h 1[3] POLARIZATION 0 4.0 P 2p12f 0[3] 2p12f 0[3] POLARIZATION 0 4.0 P 2p12h 0[4] 2p12h 0[4] POLARIZATION 0 4.0 P 2p12f 1[3] 2p12f 1[3] POLARIZATION 0 4.0 P 2p12f 1[4] 2p12f 1[4] POLARIZATION 0 4.0 P 2p12h 1[4] 2p12h 1[4] POLARIZATION 0 4.0 P 2p12h 1[3] 2p12h 1[3] POLARIZATION 0 4.0 P 2p13f 0[3] 2p13f 0[3] POLARIZATION 0 4.0 P 2p13h 0[4] 2p13h 0[4] POLARIZATION 0 4.0 P 2p13f 1[3] 2p13f 1[3] POLARIZATION 0 4.0 P 2p13f 1[4] 2p13f 1[4] POLARIZATION 0 4.0 P 2p13h 1[4] 2p13h 1[4] POLARIZATION 0 4.0 P 2p13h 1[3] 2p13h 1[3] POLARIZATION 0 4.0 P 2p14f 0[3] 2p14f 0[3] POLARIZATION 0 4.0 P 2p14h 0[4] 2p14h 0[4] POLARIZATION 0 4.0 P 2p14f 1[3] 2p14f 1[3] POLARIZATION 0 4.0 P 2p14f 1[4] 2p14f 1[4] POLARIZATION 0 4.0 P 2p14h 1[4] 2p14h 1[4] POLARIZATION 0 4.0 P 2p14h 1[3] 2p14h 1[3] POLARIZATION 0 4.0 P 2p15f 0[3] 2p15f 0[3] POLARIZATION 0 4.0 P 2p15h 0[4] 2p15h 0[4] POLARIZATION 0 4.0 P 2p16f 0[3] 2p16f 0[3] POLARIZATION 0 4.0 P 2p16h 0[4] 2p16h 0[4] POLARIZATION 0 4.0 P 2p15f 1[3] 2p15f 1[3] POLARIZATION 0 4.0 P 2p15f 1[4] 2p15f 1[4] POLARIZATION 0 4.0 P 2p15h 1[4] 2p15h 1[4] POLARIZATION 0 4.0 P 2p15h 1[3] 2p15h 1[3] POLARIZATION 0 4.0 P 2p17f 0[3] 2p17f 0[3] POLARIZATION 0 4.0 P 2p17h 0[4] 2p17h 0[4] POLARIZATION 0 4.0 P 2p16f 1[3] 2p16f 1[3] POLARIZATION 0 4.0 P 2p16f 1[4] 2p16f 1[4] POLARIZATION 0 4.0 P 2p16h 1[4] 2p16h 1[4] POLARIZATION 0 4.0 P 2p16h 1[3] 2p16h 1[3] POLARIZATION 0 4.0 P 2p18f 0[3] 2p18f 0[3] POLARIZATION 0 4.0 P 2p18h 0[4] 2p18h 0[4] POLARIZATION 0 4.0 P 2p17f 1[3] 2p17f 1[3] POLARIZATION 0 4.0 P 2p17f 1[4] 2p17f 1[4] POLARIZATION 0 4.0 P 2p17h 1[4] 2p17h 1[4] POLARIZATION 0 4.0 P 2p17h 1[3] 2p17h 1[3] POLARIZATION 0 4.0 P 2p19f 0[3] 2p19f 0[3] POLARIZATION 0 4.0 P 2p19h 0[4] 2p19h 0[4] POLARIZATION 0 4.0 P 2p18f 1[3] 2p18f 1[3] POLARIZATION 0 4.0 P 2p18f 1[4] 2p18f 1[4] POLARIZATION 0 4.0 P 2p18h 1[4] 2p18h 1[4] POLARIZATION 0 4.0 P 2p18h 1[3] 2p18h 1[3] POLARIZATION 0 4.0 P 2p20f 0[3] 2p20f 0[3] POLARIZATION 0 4.0 P 2p20h 0[4] 2p20h 0[4] POLARIZATION 0 4.0 P 2p19f 1[3] 2p19f 1[3] POLARIZATION 0 4.0 P 2p19f 1[4] 2p19f 1[4] POLARIZATION 0 4.0 P 2p19h 1[4] 2p19h 1[4] POLARIZATION 0 4.0 P 2p19h 1[3] 2p19h 1[3] POLARIZATION 0 4.0 P 2p20f 1[3] 2p20f 1[3] POLARIZATION 0 4.0 P 2p20f 1[4] 2p20f 1[4] POLARIZATION 0 4.0 P 2p20h 1[4] 2p20h 1[4] POLARIZATION 0 4.0 P 2p20h 1[3] 2p20h 1[3] POLARIZATION 0 5.0 P 2p10k 1[5] 2p10k 1[5] POLARIZATION 0 5.0 P 2p11h 0[4] 2p11h 0[4] POLARIZATION 0 5.0 P 2p11h 0[5] 2p11h 0[5] POLARIZATION 0 5.0 P 2p11h 1[5] 2p11h 1[5] POLARIZATION 0 5.0 P 2p11h 1[4] 2p11h 1[4] POLARIZATION 0 5.0 P 2p11k 1[5] 2p11k 1[5] POLARIZATION 0 5.0 P 2p12h 0[4] 2p12h 0[4] POLARIZATION 0 5.0 P 2p12h 0[5] 2p12h 0[5] POLARIZATION 0 5.0 P 2p12f 1[4] 2p12f 1[4] POLARIZATION 0 5.0 P 2p12h 0[4] 2p12h 0[4] POLARIZATION 0 5.0 P 2p12h 0[5] 2p12h 0[5] POLARIZATION 0 5.0 P 2p12k 1[5] 2p12k 1[5] POLARIZATION 0 5.0 P 2p13h 0[4] 2p13h 0[4] POLARIZATION 0 5.0 P 2p13h 0[5] 2p13h 0[5] POLARIZATION 0 5.0 P 2p13f 1[4] 2p13f 1[4] POLARIZATION 0 5.0 P 2p13h 1[5] 2p13h 1[5] POLARIZATION 0 5.0 P 2p13h 1[4] 2p13h 1[4] POLARIZATION 0 5.0 P 2p13k 1[5] 2p13k 1[5] POLARIZATION 0 5.0 P 2p14h 0[4] 2p14h 0[4] POLARIZATION 0 5.0 P 2p14h 0[5] 2p14h 0[5] POLARIZATION 0 5.0 P 2p14f 1[4] 2p14f 1[4] POLARIZATION 0 5.0 P 2p14h 1[5] 2p14h 1[5] POLARIZATION 0 5.0 P 2p14h 1[4] 2p14h 1[4] POLARIZATION 0 5.0 P 2p14k 1[5] 2p14k 1[5] POLARIZATION 0 5.0 P 2p15h 0[4] 2p15h 0[4] POLARIZATION 0 5.0 P 2p15h 0[5] 2p15h 0[5] POLARIZATION 0 5.0 P 2p16h 0[5] 2p16h 0[5] POLARIZATION 0 5.0 P 2p16h 0[4] 2p16h 0[4] POLARIZATION 0 5.0 P 2p15f 1[4] 2p15f 1[4] POLARIZATION 0 5.0 P 2p15h 0[4] 2p15h 0[4] POLARIZATION 0 5.0 P 2p15h 1[5] 2p15h 1[5] POLARIZATION 0 5.0 P 2p15k 1[5] 2p15k 1[5] POLARIZATION 0 5.0 P 2p17h 0[4] 2p17h 0[4] POLARIZATION 0 5.0 P 2p17h 0[5] 2p17h 0[5] POLARIZATION 0 5.0 P 2p16f 1[4] 2p16f 1[4] POLARIZATION 0 5.0 P 2p16h 1[5] 2p16h 1[5] POLARIZATION 0 5.0 P 2p16h 1[4] 2p16h 1[4] POLARIZATION 0 5.0 P 2p16k 1[5] 2p16k 1[5] POLARIZATION 0 5.0 P 2p18h 0[4] 2p18h 0[4] POLARIZATION 0 5.0 P 2p18h 0[5] 2p18h 0[5] POLARIZATION 0 5.0 P 2p17f 1[4] 2p17f 1[4] POLARIZATION 0 5.0 P 2p17h 1[5] 2p17h 1[5] POLARIZATION 0 5.0 P 2p17h 1[4] 2p17h 1[4] POLARIZATION 0 5.0 P 2p17k 1[5] 2p17k 1[5] POLARIZATION 0 5.0 P 2p19h 0[4] 2p19h 0[4] POLARIZATION 0 5.0 P 2p19h 0[5] 2p19h 0[5] POLARIZATION 0 5.0 P 2p18f 1[4] 2p18f 1[4] POLARIZATION 0 5.0 P 2p18h 1[5] 2p18h 1[5] POLARIZATION 0 5.0 P 2p18h 1[4] 2p18h 1[4] POLARIZATION 0 5.0 P 2p18k 1[5] 2p18k 1[5] POLARIZATION 0 5.0 P 2p20h 0[4] 2p20h 0[4] POLARIZATION 0 5.0 P 2p20h 0[5] 2p20h 0[5] POLARIZATION 0 5.0 P 2p19f 1[4] 2p19f 1[4] POLARIZATION 0 5.0 P 2p19h 1[5] 2p19h 1[5] POLARIZATION 0 5.0 P 2p19h 1[4] 2p19h 1[4] POLARIZATION 0 5.0 P 2p19k 1[5] 2p19k 1[5] POLARIZATION 0 5.0 P 2p20f 1[4] 2p20f 1[4] POLARIZATION 0 5.0 P 2p20h 1[5] 2p20h 1[5] POLARIZATION 0 5.0 P 2p20h 1[4] 2p20h 1[4] POLARIZATION 0 5.0 P 2p20k 1[5] 2p20k 1[5] POLARIZATION 0 6.0 P 2p10k 0[6] 2p10k 0[6] POLARIZATION 0 6.0 P 2p10k 1[6] 2p10k 1[6] POLARIZATION 0 6.0 P 2p10k 1[5] 2p10k 1[5] POLARIZATION 0 6.0 P 2p11h 0[5] 2p11h 0[5] POLARIZATION 0 6.0 P 2p11k 0[6] 2p11k 0[6] POLARIZATION 0 6.0 P 2p11h 1[5] 2p11h 1[5] POLARIZATION 0 6.0 P 2p11k 1[6] 2p11k 1[6] POLARIZATION 0 6.0 P 2p11h 1[6] 2p11h 1[6] POLARIZATION 0 6.0 P 2p11k 1[5] 2p11k 1[5] POLARIZATION 0 6.0 P 2p12h 0[5] 2p12h 0[5] POLARIZATION 0 6.0 P 2p12k 0[6] 2p12k 0[6] POLARIZATION 0 6.0 P 2p12h 1[5] 2p12h 1[5] POLARIZATION 0 6.0 P 2p12k 1[6] 2p12k 1[6] POLARIZATION 0 6.0 P 2p12h 1[6] 2p12h 1[6] POLARIZATION 0 6.0 P 2p12k 1[5] 2p12k 1[5] POLARIZATION 0 6.0 P 2p13h 0[5] 2p13h 0[5] POLARIZATION 0 6.0 P 2p13k 0[6] 2p13k 0[6] POLARIZATION 0 6.0 P 2p13h 1[5] 2p13h 1[5] POLARIZATION 0 6.0 P 2p13k 1[6] 2p13k 1[6] POLARIZATION 0 6.0 P 2p13h 1[6] 2p13h 1[6] POLARIZATION 0 6.0 P 2p13k 1[5] 2p13k 1[5] POLARIZATION 0 6.0 P 2p14h 0[5] 2p14h 0[5] POLARIZATION 0 6.0 P 2p14k 0[6] 2p14k 0[6] POLARIZATION 0 6.0 P 2p14h 1[5] 2p14h 1[5] POLARIZATION 0 6.0 P 2p14k 1[6] 2p14k 1[6] POLARIZATION 0 6.0 P 2p14h 1[6] 2p14h 1[6] POLARIZATION 0 6.0 P 2p14k 1[5] 2p14k 1[5] POLARIZATION 0 6.0 P 2p15h 0[5] 2p15h 0[5] POLARIZATION 0 6.0 P 2p15k 0[6] 2p15k 0[6] POLARIZATION 0 6.0 P 2p16h 0[5] 2p16h 0[5] POLARIZATION 0 6.0 P 2p16k 0[6] 2p16k 0[6] POLARIZATION 0 6.0 P 2p15h 1[5] 2p15h 1[5] POLARIZATION 0 6.0 P 2p15k 1[6] 2p15k 1[6] POLARIZATION 0 6.0 P 2p15h 1[6] 2p15h 1[6] POLARIZATION 0 6.0 P 2p15k 1[5] 2p15k 1[5] POLARIZATION 0 6.0 P 2p17k 0[6] 2p17k 0[6] POLARIZATION 0 6.0 P 2p17h 0[5] 2p17h 0[5] POLARIZATION 0 6.0 P 2p16h 1[5] 2p16h 1[5] POLARIZATION 0 6.0 P 2p16k 1[6] 2p16k 1[6] POLARIZATION 0 6.0 P 2p16h 1[6] 2p16h 1[6] POLARIZATION 0 6.0 P 2p16k 1[5] 2p16k 1[5] POLARIZATION 0 6.0 P 2p18h 0[5] 2p18h 0[5] POLARIZATION 0 6.0 P 2p18k 0[6] 2p18k 0[6] POLARIZATION 0 6.0 P 2p17h 1[6] 2p17h 1[6] POLARIZATION 0 6.0 P 2p17k 1[5] 2p17k 1[5] POLARIZATION 0 6.0 P 2p17h 1[6] 2p17h 1[6] POLARIZATION 0 6.0 P 2p17k 1[5] 2p17k 1[5] POLARIZATION 0 6.0 P 2p19h 0[5] 2p19h 0[5] POLARIZATION 0 6.0 P 2p19k 0[6] 2p19k 0[6] POLARIZATION 0 6.0 P 2p18h 1[5] 2p18h 1[5] POLARIZATION 0 6.0 P 2p18k 1[5] 2p18k 1[5] POLARIZATION 0 6.0 P 2p18h 1[6] 2p18h 1[6] POLARIZATION 0 6.0 P 2p18k 1[6] 2p18k 1[6] POLARIZATION 0 6.0 P 2p20h 0[5] 2p20h 0[5] POLARIZATION 0 6.0 P 2p20k 0[6] 2p20k 0[6] POLARIZATION 0 6.0 P 2p19h 1[5] 2p19h 1[5] POLARIZATION 0 6.0 P 2p19k 1[5] 2p19k 1[5] POLARIZATION 0 6.0 P 2p19h 1[6] 2p19h 1[6] POLARIZATION 0 6.0 P 2p19k 1[6] 2p19k 1[6] POLARIZATION 0 6.0 P 2p20h 1[5] 2p20h 1[5] POLARIZATION 0 6.0 P 2p20k 1[5] 2p20k 1[5] POLARIZATION 0 6.0 P 2p20h 1[6] 2p20h 1[6] POLARIZATION 0 6.0 P 2p20k 1[6] 2p20k 1[6] POLARIZATION 0 7.0 P 2p10k 0[6] 2p10k 0[6] POLARIZATION 0 7.0 P 2p10k 0[7] 2p10k 0[7] POLARIZATION 0 7.0 P 2p10k 1[7] 2p10k 1[7] POLARIZATION 0 7.0 P 2p10k 1[6] 2p10k 1[6] POLARIZATION 0 7.0 P 2p11k 0[6] 2p11k 0[6] POLARIZATION 0 7.0 P 2p11k 0[7] 2p11k 0[7] POLARIZATION 0 7.0 P 2p11k 1[7] 2p11k 1[7] POLARIZATION 0 7.0 P 2p11k 1[6] 2p11k 1[6] POLARIZATION 0 7.0 P 2p11h 1[6] 2p11h 1[6] POLARIZATION 0 7.0 P 2p11k 0[6] 2p11k 0[6] POLARIZATION 0 7.0 P 2p12k 0[7] 2p12k 0[7] POLARIZATION 0 7.0 P 2p12k 1[7] 2p12k 1[7] POLARIZATION 0 7.0 P 2p12k 1[6] 2p12k 1[6] POLARIZATION 0 7.0 P 2p12h 1[6] 2p12h 1[6] POLARIZATION 0 7.0 P 2p13k 0[6] 2p13k 0[6] POLARIZATION 0 7.0 P 2p13k 0[7] 2p13k 0[7] POLARIZATION 0 7.0 P 2p13k 1[7] 2p13k 1[7] POLARIZATION 0 7.0 P 2p13k 1[6] 2p13k 1[6] POLARIZATION 0 7.0 P 2p13h 1[6] 2p13h 1[6] POLARIZATION 0 7.0 P 2p14k 0[6] 2p14k 0[6] POLARIZATION 0 7.0 P 2p14k 0[7] 2p14k 0[7] POLARIZATION 0 7.0 P 2p14k 1[7] 2p14k 1[7] POLARIZATION 0 7.0 P 2p14k 1[6] 2p14k 1[6] POLARIZATION 0 7.0 P 2p14h 1[6] 2p14h 1[6] POLARIZATION 0 7.0 P 2p15k 0[6] 2p15k 0[6] POLARIZATION 0 7.0 P 2p15k 0[7] 2p15k 0[7] POLARIZATION 0 7.0 P 2p16k 0[6] 2p16k 0[6] POLARIZATION 0 7.0 P 2p16k 0[7] 2p16k 0[7] POLARIZATION 0 7.0 P 2p15k 1[7] 2p15k 1[7] POLARIZATION 0 7.0 P 2p15k 1[6] 2p15k 1[6] POLARIZATION 0 7.0 P 2p15h 1[6] 2p15h 1[6] POLARIZATION 0 7.0 P 2p17k 0[6] 2p17k 0[6] POLARIZATION 0 7.0 P 2p17k 0[7] 2p17k 0[7] POLARIZATION 0 7.0 P 2p16k 1[7] 2p16k 1[7] POLARIZATION 0 7.0 P 2p16k 1[6] 2p16k 1[6] POLARIZATION 0 7.0 P 2p16h 1[6] 2p16h 1[6] POLARIZATION 0 7.0 P 2p18k 0[6] 2p18k 0[6] POLARIZATION 0 7.0 P 2p18k 0[7] 2p18k 0[7] POLARIZATION 0 7.0 P 2p17k 1[7] 2p17k 1[7] POLARIZATION 0 7.0 P 2p17k 1[6] 2p17k 1[6] POLARIZATION 0 7.0 P 2p17h 1[6] 2p17h 1[6] POLARIZATION 0 7.0 P 2p19k 0[6] 2p19k 0[6] POLARIZATION 0 7.0 P 2p19k 0[7] 2p19k 0[7] POLARIZATION 0 7.0 P 2p18k 1[7] 2p18k 1[7] POLARIZATION 0 7.0 P 2p18k 1[6] 2p18k 1[6] POLARIZATION 0 7.0 P 2p18h 1[6] 2p18h 1[6] POLARIZATION 0 7.0 P 2p20k 0[6] 2p20k 0[6] POLARIZATION 0 7.0 P 2p20k 0[7] 2p20k 0[7] POLARIZATION 0 7.0 P 2p19k 1[7] 2p19k 1[7] POLARIZATION 0 7.0 P 2p19k 1[6] 2p19k 1[6] POLARIZATION 0 7.0 P 2p19h 1[6] 2p19h 1[6] POLARIZATION 0 7.0 P 2p20k 1[7] 2p20k 1[7] POLARIZATION 0 7.0 P 2p20k 1[6] 2p20k 1[6] POLARIZATION 0 7.0 P 2p20h 1[6] 2p20h 1[6] POLARIZATION 0 8.0 P 2p10k 0[7] 2p10k 0[7] POLARIZATION 0 8.0 P 2p10k 1[7] 2p10k 1[7] POLARIZATION 0 8.0 P 2p10k 1[8] 2p10k 1[8] POLARIZATION 0 8.0 P 2p11k 0[7] 2p11k 0[7] POLARIZATION 0 8.0 P 2p11k 1[7] 2p11k 1[7] POLARIZATION 0 8.0 P 2p11k 1[8] 2p11k 1[8] POLARIZATION 0 8.0 P 2p12k 0[7] 2p12k 0[7] POLARIZATION 0 8.0 P 2p12k 1[7] 2p12k 1[7] POLARIZATION 0 8.0 P 2p12k 1[8] 2p12k 1[8] POLARIZATION 0 8.0 P 2p13k 0[7] 2p13k 0[7] POLARIZATION 0 8.0 P 2p13k 1[7] 2p13k 1[7] POLARIZATION 0 8.0 P 2p13k 1[8] 2p13k 1[8] POLARIZATION 0 8.0 P 2p14k 0[7] 2p14k 0[7] POLARIZATION 0 8.0 P 2p14k 1[7] 2p14k 1[7] POLARIZATION 0 8.0 P 2p14k 1[8] 2p14k 1[8] POLARIZATION 0 8.0 P 2p15k 0[7] 2p15k 0[7] POLARIZATION 0 8.0 P 2p16k 0[7] 2p16k 0[7] POLARIZATION 0 8.0 P 2p15k 1[7] 2p15k 1[7] POLARIZATION 0 8.0 P 2p15k 1[8] 2p15k 1[8] POLARIZATION 0 8.0 P 2p17k 0[7] 2p17k 0[7] POLARIZATION 0 8.0 P 2p16k 1[7] 2p16k 1[7] POLARIZATION 0 8.0 P 2p16k 1[8] 2p16k 1[8] POLARIZATION 0 8.0 P 2p18k 0[7] 2p18k 0[7] POLARIZATION 0 8.0 P 2p17k 1[7] 2p17k 1[7] POLARIZATION 0 8.0 P 2p17k 1[8] 2p17k 1[8] POLARIZATION 0 8.0 P 2p19k 0[7] 2p19k 0[7] POLARIZATION 0 8.0 P 2p18k 1[7] 2p18k 1[7] POLARIZATION 0 8.0 P 2p18k 1[8] 2p18k 1[8] POLARIZATION 0 8.0 P 2p20k 0[7] 2p20k 0[7] POLARIZATION 0 8.0 P 2p19k 1[7] 2p19k 1[7] POLARIZATION 0 8.0 P 2p19k 1[8] 2p19k 1[8] POLARIZATION 0 8.0 P 2p20k 1[7] 2p20k 1[7] POLARIZATION 0 8.0 P 2p20k 1[8] 2p20k 1[8] POLARIZATION 0 9.0 P 2p10k 1[8] 2p10k 1[8] POLARIZATION 0 9.0 P 2p11k 1[8] 2p11k 1[8] POLARIZATION 0 9.0 P 2p12k 1[8] 2p12k 1[8] POLARIZATION 0 9.0 P 2p13k 1[8] 2p13k 1[8] POLARIZATION 0 9.0 P 2p14k 1[8] 2p14k 1[8] POLARIZATION 0 9.0 P 2p15k 1[8] 2p15k 1[8] POLARIZATION 0 9.0 P 2p16k 1[8] 2p16k 1[8] POLARIZATION 0 9.0 P 2p17k 1[8] 2p17k 1[8] POLARIZATION 0 9.0 P 2p18k 1[8] 2p18k 1[8] POLARIZATION 0 9.0 P 2p19k 1[8] 2p19k 1[8] POLARIZATION 0 9.0 P 2p20k 1[8] 2p20k 1[8] POLARIZATION 234 13.0 52 LEAST SQUARES 1 1 EAV 0.0 0.0 90015.3 FIXEDHF 1.000 0 0.0 0 2p12p 2 1 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p12p 3 1 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p12p 4 1 F2(23) 0.0 0.0 38.4 FIXEDHF 0.400 0 0.0 0 2p12p 5 1 G0(23) 0.0 0.0 27.9 FIXEDHF 0.250 0 0.0 0 2p12p 6 1 G2(23) 0.0 0.0 20.1 FIXEDHF 0.250 0 0.0 0 2p12p 7 2 EAV 0.0 0.0 90146.7 FIXEDHF 1.000 0 0.0 0 2p13p 8 2 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p13p 9 2 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p13p 10 2 F2(23) 0.0 0.0 29.8 FIXEDHF 0.400 0 0.0 0 2p13p 11 2 G0(23) 0.0 0.0 21.7 FIXEDHF 0.250 0 0.0 0 2p13p 12 2 G2(23) 0.0 0.0 15.6 FIXEDHF 0.250 0 0.0 0 2p13p 13 3 EAV 0.0 0.0 90249.8 FIXEDHF 1.000 0 0.0 0 2p14p 14 3 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p14p 15 3 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p14p 16 3 F2(23) 0.0 0.0 23.7 FIXEDHF 0.400 0 0.0 0 2p14p 17 3 G0(23) 0.0 0.0 17.2 FIXEDHF 0.250 0 0.0 0 2p14p 18 3 G2(23) 0.0 0.0 12.4 FIXEDHF 0.250 0 0.0 0 2p14p 19 4 EAV 0.0 0.0 90332.1 FIXEDHF 1.000 0 0.0 0 2p15p 20 4 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p15p 21 4 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p15p 22 4 F2(23) 0.0 0.0 19.1 FIXEDHF 0.400 0 0.0 0 2p15p 23 4 G0(23) 0.0 0.0 13.9 FIXEDHF 0.250 0 0.0 0 2p15p 24 4 G2(23) 0.0 0.0 10.0 FIXEDHF 0.250 0 0.0 0 2p15p 25 5 EAV 0.0 0.0 90398.9 FIXEDHF 1.000 0 0.0 0 2p16p 26 5 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p16p 27 5 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p16p 28 5 F2(23) 0.0 0.0 15.6 FIXEDHF 0.400 0 0.0 0 2p16p 29 5 G0(23) 0.0 0.0 11.4 FIXEDHF 0.250 0 0.0 0 2p16p 30 5 G2(23) 0.0 0.0 8.2 FIXEDHF 0.250 0 0.0 0 2p16p 31 6 EAV 0.0 0.0 90453.8 FIXEDHF 1.000 0 0.0 0 2p17p 32 6 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p17p 33 6 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p17p 34 6 F2(23) 0.0 0.0 12.9 FIXEDHF 0.400 0 0.0 0 2p17p 35 6 G0(23) 0.0 0.0 9.4 FIXEDHF 0.250 0 0.0 0 2p17p 36 6 G2(23) 0.0 0.0 6.8 FIXEDHF 0.250 0 0.0 0 2p17p 37 7 EAV 0.0 0.0 90499.5 FIXEDHF 1.000 0 0.0 0 2p18p 38 7 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p18p 39 7 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p18p 40 7 F2(23) 0.0 0.0 10.8 FIXEDHF 0.400 0 0.0 0 2p18p 41 7 G0(23) 0.0 0.0 7.9 FIXEDHF 0.250 0 0.0 0 2p18p 42 7 G2(23) 0.0 0.0 5.7 FIXEDHF 0.250 0 0.0 0 2p18p 43 8 EAV 0.0 0.0 90538.0 FIXEDHF 1.000 0 0.0 0 2p19p 44 8 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p19p 45 8 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p19p 46 8 F2(23) 0.0 0.0 9.2 FIXEDHF 0.400 0 0.0 0 2p19p 47 8 G0(23) 0.0 0.0 6.7 FIXEDHF 0.250 0 0.0 0 2p19p 48 8 G2(23) 0.0 0.0 4.8 FIXEDHF 0.250 0 0.0 0 2p19p 49 9 EAV 0.0 0.0 90570.6 FIXEDHF 1.000 0 0.0 0 2p20p 50 9 ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p20p 51 9 ZETA 3 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p20p 52 9 F2(23) 0.0 0.0 7.8 FIXEDHF 0.400 0 0.0 0 2p20p 53 9 G0(23) 0.0 0.0 5.7 FIXEDHF 0.250 0 0.0 0 2p20p 54 9 G2(23) 0.0 0.0 4.1 FIXEDHF 0.250 0 0.0 0 2p20p 55 A EAV 0.0 0.0 90099.6 FIXEDHF 1.000 0 0.0 0 2p12f 56 A ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p12f 57 A ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p12f 58 A F2(24) 0.0 0.0 7.9 FIXEDHF 1.000 0 0.0 0 2p12f 59 A G2(24) 0.0 0.0 0.2 FIXEDHF 0.800 0 0.0 0 2p12f 60 A G4(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p12f 61 B EAV 0.0 0.0 90212.6 FIXEDHF 1.000 0 0.0 0 2p13f 62 B ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p13f 63 B ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p13f 64 B F2(24) 0.0 0.0 6.2 FIXEDHF 1.000 0 0.0 0 2p13f 65 B G2(24) 0.0 0.0 0.2 FIXEDHF 0.800 0 0.0 0 2p13f 66 B G4(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p13f 67 C EAV 0.0 0.0 90302.2 FIXEDHF 1.000 0 0.0 0 2p14f 68 C ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p14f 69 C ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p14f 70 C F2(24) 0.0 0.0 5.0 FIXEDHF 1.000 0 0.0 0 2p14f 71 C G2(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p14f 72 C G4(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p14f 73 D EAV 0.0 0.0 90374.5 FIXEDHF 1.000 0 0.0 0 2p15f 74 D ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p15f 75 D ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p15f 76 D F2(24) 0.0 0.0 4.0 FIXEDHF 1.000 0 0.0 0 2p15f 77 D G2(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p15f 78 D G4(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p15f 79 E EAV 0.0 0.0 90433.6 FIXEDHF 1.000 0 0.0 0 2p16f 80 E ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p16f 81 E ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p16f 82 E F2(24) 0.0 0.0 3.3 FIXEDHF 1.000 0 0.0 0 2p16f 83 E G2(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p16f 84 E G4(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p16f 85 F EAV 0.0 0.0 90482.6 FIXEDHF 1.000 0 0.0 0 2p17f 86 F ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p17f 87 F ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p17f 88 F F2(24) 0.0 0.0 2.8 FIXEDHF 1.000 0 0.0 0 2p17f 89 F G2(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p17f 90 F G4(24) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p17f 91 G EAV 0.0 0.0 90523.7 FIXEDHF 1.000 0 0.0 0 2p18f 92 G ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p18f 93 G ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p18f 94 G F2(24) 0.0 0.0 2.3 FIXEDHF 1.000 0 0.0 0 2p18f 95 G G2(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p18f 96 G G4(24) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p18f 97 H EAV 0.0 0.0 90558.5 FIXEDHF 1.000 0 0.0 0 2p19f 98 H ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p19f 99 H ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p19f 100 H F2(24) 0.0 0.0 2.0 FIXEDHF 1.000 0 0.0 0 2p19f 101 H G2(24) 0.0 0.0 0.1 FIXEDHF 0.800 0 0.0 0 2p19f 102 H G4(24) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p19f 103 I EAV 0.0 0.0 90588.2 FIXEDHF 1.000 0 0.0 0 2p20f 104 I ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p20f 105 I ZETA 4 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p20f 106 I F2(24) 0.0 0.0 1.7 FIXEDHF 1.000 0 0.0 0 2p20f 107 I G2(24) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p20f 108 I G4(24) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p20f 109 J EAV 0.0 0.0 89955.7 FIXEDHF 1.000 0 0.0 0 2p11h 110 J ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p11h 111 J ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p11h 112 J F2(25) 0.0 0.0 2.6 FIXEDHF 1.000 0 0.0 0 2p11h 113 J G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p11h 114 J G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p11h 115 K EAV 0.0 0.0 90100.6 FIXEDHF 1.000 0 0.0 0 2p12h 116 K ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p12h 117 K ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p12h 118 K F2(25) 0.0 0.0 2.0 FIXEDHF 1.000 0 0.0 0 2p12h 119 K G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p12h 120 K G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p12h 121 L EAV 0.0 0.0 90213.3 FIXEDHF 1.000 0 0.0 0 2p13h 122 L ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p13h 123 L ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p13h 124 L F2(25) 0.0 0.0 1.6 FIXEDHF 1.000 0 0.0 0 2p13h 125 L G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p13h 126 L G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p13h 127 M EAV 0.0 0.0 90302.8 FIXEDHF 1.000 0 0.0 0 2p14h 128 M ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p14h 129 M ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p14h 130 M F2(25) 0.0 0.0 1.2 FIXEDHF 1.000 0 0.0 0 2p14h 131 M G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p14h 132 M G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p14h 133 N EAV 0.0 0.0 90375.0 FIXEDHF 1.000 0 0.0 0 2p15h 134 N ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p15h 135 N ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p15h 136 N F2(25) 0.0 0.0 1.0 FIXEDHF 1.000 0 0.0 0 2p15h 137 N G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p15h 138 N G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p15h 139 O EAV 0.0 0.0 90434.0 FIXEDHF 1.000 0 0.0 0 2p16h 140 O ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p16h 141 O ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p16h 142 O F2(25) 0.0 0.0 0.8 FIXEDHF 1.000 0 0.0 0 2p16h 143 O G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p16h 144 O G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p16h 145 P EAV 0.0 0.0 90483.0 FIXEDHF 1.000 0 0.0 0 2p17h 146 P ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p17h 147 P ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p17h 148 P F2(25) 0.0 0.0 0.7 FIXEDHF 1.000 0 0.0 0 2p17h 149 P G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p17h 150 P G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p17h 151 Q EAV 0.0 0.0 90524.0 FIXEDHF 1.000 0 0.0 0 2p18h 152 Q ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p18h 153 Q ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p18h 154 Q F2(25) 0.0 0.0 0.6 FIXEDHF 1.000 0 0.0 0 2p18h 155 Q G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p18h 156 Q G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p18h 157 R EAV 0.0 0.0 90558.7 FIXEDHF 1.000 0 0.0 0 2p19h 158 R ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p19h 159 R ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p19h 160 R F2(25) 0.0 0.0 0.5 FIXEDHF 1.000 0 0.0 0 2p19h 161 R G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p19h 162 R G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p19h 163 S EAV 0.0 0.0 90588.4 FIXEDHF 1.000 0 0.0 0 2p20h 164 S ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p20h 165 S ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p20h 166 S F2(25) 0.0 0.0 0.4 FIXEDHF 1.000 0 0.0 0 2p20h 167 S G4(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p20h 168 S G6(25) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p20h 169 T EAV 0.0 0.0 89765.4 FIXEDHF 1.000 0 0.0 0 2p10k 170 T ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p10k 171 T ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p10k 172 T F2(26) 0.0 0.0 1.3 FIXEDHF 1.000 0 0.0 0 2p10k 173 T G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p10k 174 T G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p10k 175 U EAV 0.0 0.0 89955.8 FIXEDHF 1.000 0 0.0 0 2p11k 176 U ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p11k 177 U ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p11k 178 U F2(26) 0.0 0.0 1.0 FIXEDHF 1.000 0 0.0 0 2p11k 179 U G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p11k 180 U G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p11k 181 V EAV 0.0 0.0 90100.7 FIXEDHF 1.000 0 0.0 0 2p12k 182 V ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p12k 183 V ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p12k 184 V F2(26) 0.0 0.0 0.8 FIXEDHF 1.000 0 0.0 0 2p12k 185 V G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p12k 186 V G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p12k 187 W EAV 0.0 0.0 90213.4 FIXEDHF 1.000 0 0.0 0 2p13k 188 W ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p13k 189 W ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p13k 190 W F2(26) 0.0 0.0 0.6 FIXEDHF 1.000 0 0.0 0 2p13k 191 W G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p13k 192 W G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p13k 193 X EAV 0.0 0.0 90302.9 FIXEDHF 1.000 0 0.0 0 2p14k 194 X ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p14k 195 X ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p14k 196 X F2(26) 0.0 0.0 0.5 FIXEDHF 1.000 0 0.0 0 2p14k 197 X G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p14k 198 X G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p14k 199 Y EAV 0.0 0.0 90375.0 FIXEDHF 1.000 0 0.0 0 2p15k 200 Y ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p15k 201 Y ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p15k 202 Y F2(26) 0.0 0.0 0.4 FIXEDHF 1.000 0 0.0 0 2p15k 203 Y G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p15k 204 Y G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p15k 205 Z EAV 0.0 0.0 90434.1 FIXEDHF 1.000 0 0.0 0 2p16k 206 Z ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p16k 207 Z ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p16k 208 Z F2(26) 0.0 0.0 0.3 FIXEDHF 1.000 0 0.0 0 2p16k 209 Z G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p16k 210 Z G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p16k 211 a EAV 0.0 0.0 90483.0 FIXEDHF 1.000 0 0.0 0 2p17k 212 a ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p17k 213 a ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p17k 214 a F2(26) 0.0 0.0 0.3 FIXEDHF 1.000 0 0.0 0 2p17k 215 a G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p17k 216 a G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p17k 217 b EAV 0.0 0.0 90524.0 FIXEDHF 1.000 0 0.0 0 2p18k 218 b ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p18k 219 b ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p18k 220 b F2(26) 0.0 0.0 0.2 FIXEDHF 1.000 0 0.0 0 2p18k 221 b G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p18k 222 b G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p18k 223 c EAV 0.0 0.0 90558.8 FIXEDHF 1.000 0 0.0 0 2p19k 224 c ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p19k 225 c ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p19k 226 c F2(26) 0.0 0.0 0.2 FIXEDHF 1.000 0 0.0 0 2p19k 227 c G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p19k 228 c G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p19k 229 d EAV 0.0 0.0 90588.4 FIXEDHF 1.000 0 0.0 0 2p20k 230 d ZETA 2 0.0 0.0 42.3 FIXEDHF 1.000 0 0.0 0 2p20k 231 d ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 2p20k 232 d F2(26) 0.0 0.0 0.2 FIXEDHF 1.000 0 0.0 0 2p20k 233 d G6(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p20k 234 d G8(26) 0.0 0.0 0.0 FIXEDHF 0.800 0 0.0 0 2p20k 6.00 J 0.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 -89982.047R 89980.954 -1.1 0.000 2p12p 3P 0.862 1(2P)3P 1 0.506 1(2P)1S 2 2 -90058.958R 90049.457 -9.5 0.000 2p12p 1S -0.862 1(2P)1S 2 0.506 1(2P)3P 1 3 -90111.589R 90110.720 -0.9 0.000 2p13p 3P 0.853 2(2P)3P 3 0.522 2(2P)1S 4 4 -90185.018R 90177.934 -7.1 0.000 2p13p 1S -0.853 2(2P)1S 4 0.522 2(2P)3P 3 5 -90213.243R 90212.542 -0.7 0.000 2p14p 3P 0.846 3(2P)3P 5 0.533 3(2P)1S 6 6 -90284.289R 90278.877 -5.4 0.000 2p14p 1S -0.846 3(2P)1S 6 0.533 3(2P)3P 5 7 -90294.483R 90293.910 -0.6 0.000 2p15p 3P 0.841 4(2P)3P 7 0.541 4(2P)1S 8 8 -90363.846R 90359.624 -4.2 0.000 2p15p 1S -0.841 4(2P)1S 8 0.541 4(2P)3P 7 9 -90360.435R 90359.963 -0.5 0.000 2p16p 3P 0.837 5(2P)3P 9 0.548 5(2P)1S 10 10 -90414.710R 90414.318 -0.4 0.000 2p17p 3P 0.833 6(2P)3P 11 0.553 6(2P)1S 12 11 -90428.576R 90425.223 -3.4 0.000 2p16p 1S -0.837 5(2P)1S 10 0.548 5(2P)3P 9 12 -90459.912R 90459.583 -0.3 0.000 2p18p 3P 0.831 7(2P)3P 13 0.557 7(2P)1S 14 13 -90481.944R 90479.239 -2.7 0.000 2p17p 1S -0.833 6(2P)1S 12 0.553 6(2P)3P 11 14 -90497.956R 90497.680 -0.3 0.000 2p19p 3P 0.829 8(2P)3P 15 0.560 8(2P)1S 16 15 -90526.458R 90524.246 -2.2 0.000 2p18p 1S -0.831 7(2P)1S 14 0.557 7(2P)3P 13 16 -90530.280R 90530.046 -0.2 0.000 2p20p 3P 0.827 9(2P)3P 17 0.562 9(2P)1S 18 17 -90563.971R 90562.141 -1.8 0.000 2p19p 1S -0.829 8(2P)1S 16 0.560 8(2P)3P 15 18 -90595.878R 90594.348 -1.5 0.000 2p20p 1S 0.827 9(2P)1S 18 -0.562 9(2P)3P 17 18 VECTORS WRITTEN TO UNIT 3 6.00 J 1.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 -89972.470R 89967.463 -5.0 0.670 2p12p 3D 0.852 1(2P)3D 1 0.489 1(2P)1P 4 -0.184 1(2P)3S 3 2 -89963.499R 89973.191 9.7 1.471 2p12p 1P -0.661 1(2P)3P 2 -0.555 1(2P)3S 3 0.375 1(2P)1P 4 3 -90034.026R 90030.963 -3.1 1.187 2p12p 3S -0.781 1(2P)1P 4 -0.470 1(2P)3S 3 0.345 1(2P)3D 1 4 -90036.422R 90037.609 1.2 1.675 2p12p 3P 0.716 1(2P)3P 2 -0.661 1(2P)3S 3 -0.199 1(2P)3D 1 5 -90104.305R 90100.154 -4.2 0.669 2p13p 3D 0.854 2(2P)3D 5 0.485 2(2P)1P 8 -0.186 2(2P)3S 7 6 -90097.074R 90104.657 7.6 1.478 2p13p 1P -0.672 2(2P)3P 6 -0.553 2(2P)3S 7 0.365 2(2P)1P 8 7 P 90122.008 0.0 0.499 2p12f 1[1] 1.000 A(2P)3D 37 8 -90165.963R 90163.601 -2.4 1.176 2p13p 3S -0.788 2(2P)1P 8 -0.459 2(2P)3S 7 0.347 2(2P)3D 5 9 -90167.743R 90168.770 1.0 1.679 2p13p 3P 0.707 2(2P)3P 6 -0.669 2(2P)3S 7 -0.202 2(2P)3D 5 10 -90207.570R 90204.118 -3.5 0.668 2p14p 3D 0.856 3(2P)3D 9 0.482 3(2P)1P 12 -0.187 3(2P)3S 11 11 -90201.675R 90207.717 6.0 1.484 2p14p 1P -0.679 3(2P)3P 10 -0.552 3(2P)3S 11 0.358 3(2P)1P 12 12 P 90234.694 0.0 0.499 2p13f 1[1] 1.000 B(2P)3D 38 13 -90269.396R 90267.540 -1.9 1.168 2p14p 3S -0.793 3(2P)1P 12 -0.452 3(2P)3S 11 0.347 3(2P)3D 9 14 -90270.755R 90271.639 0.9 1.683 2p14p 3P 0.701 3(2P)3P 10 -0.675 3(2P)3S 11 -0.204 3(2P)3D 9 15 -90289.977R 90287.090 -2.9 0.668 2P15p 3D 0.857 4(2P)3D 13 0.480 4(2P)1P 16 -0.188 4(2P)3S 15 16 -90285.118R 90290.009 4.9 1.487 2p15p 1P -0.685 4(2P)3P 14 -0.551 4(2P)3S 15 0.353 4(2P)1P 16 17 P 90324.111 0.0 0.499 2p14f 1[1] 1.000 C(2P)3D 39 18 -90351.982R 90350.501 -1.5 1.162 2p15p 3S -0.796 4(2P)1P 16 -0.447 4(2P)3S 15 0.348 4(2P)3D 13 19 -90353.044R 90353.805 0.8 1.685 2p15p 3P 0.696 4(2P)3P 14 -0.680 4(2P)3S 15 -0.206 4(2P)3D 13 20 -90356.794R 90354.365 -2.4 0.667 2p16p 3D 0.857 5(2P)3D 17 0.479 5(2P)1P 20 -0.189 5(2P)3S 19 J 1.0 21 -90352.748R 90356.763 4.0 1.490 2p16p 1P -0.689 5(2P)3P 18 -0.550 5(2P)3S 19 0.350 5(2P)1P 20 22 P 90396.250 0.0 0.499 2p15f 1[1] 1.000 D(2P)3D 40 23 -90411.725R 90409.668 -2.1 0.667 2p17p 3D 0.858 6(2P)3D 21 0.477 6(2P)1P 24 -0.189 6(2P)3S 23 24 -90408.324R 90411.662 3.3 1.492 2p17p 1P -0.692 6(2P)3P 22 -0.549 6(2P)3S 23 0.347 6(2P)1P 24 25 -90418.970R 90417.771 -1.2 1.158 2p16p 3S -0.799 5(2P)1P 20 -0.442 5(2P)3S 19 0.348 5(2P)3D 17 26 -90419.816R 90420.474 0.7 1.687 2p16p 3P 0.693 5(2P)3P 18 -0.683 5(2P)3S 19 -0.207 5(2P)3D 17 27 P 90455.292 0.0 0.499 2p16f 1[1] 1.000 E(2P)3D 41 28 -90457.433R 90455.680 -1.8 0.667 2p18p 3D 0.858 7(2P)3D 25 0.476 7(2P)1P 28 -0.190 7(2P)3S 27 29 -90454.550R 90457.355 2.8 1.494 2p18p 1P -0.695 7(2P)3P 26 -0.548 7(2P)3S 27 0.345 7(2P)1P 28 30 -90474.055R 90473.072 -1.0 1.155 2p17p 3S -0.801 6(2P)1P 24 -0.439 6(2P)3S 23 0.348 6(2P)3D 21 31 -90474.740R 90475.311 0.6 1.688 2p17p 3P 0.690 6(2P)3P 22 -0.685 6(2P)3S 23 -0.208 6(2P)3D 21 32 -90495.875R 90494.372 -1.5 0.667 2p19p 3D 0.859 8(2P)3D 29 0.476 8(2P)1P 32 -0.190 8(2P)3S 31 33 -90493.411R 90495.792 2.4 1.495 2p19p 1P -0.697 8(2P)3P 30 -0.548 8(2P)3S 31 0.343 8(2P)1P 32 34 P 90504.226 0.0 0.499 2p17f 1[1] 1.000 F(2P)3D 42 35 -90519.898R 90519.083 -0.8 1.153 2p18p 3S -0.802 7(2P)1P 28 -0.437 7(2P)3S 27 0.348 7(2P)3D 25 36 -90520.461R 90520.960 0.5 1.689 2p18p 3P 0.688 7(2P)3P 26 -0.687 7(2P)3S 27 -0.209 7(2P)3D 25 37 -90528.514R 90527.219 -1.3 0.667 2p20p 3D 0.859 9(2P)3D 33 0.475 9(2P)1P 36 -0.191 9(2P)3S 35 38 -90526.394R 90528.433 2.0 1.496 2p20p 1P -0.698 9(2P)3P 34 -0.547 9(2P)3S 35 0.341 9(2P)1P 36 39 P 90545.233 0.0 0.499 2p18f 1[1] 1.000 G(2P)3D 43 40 -90558.457R 90557.776 -0.7 1.151 2p19p 3S -0.803 8(2P)1P 32 -0.435 8(2P)3S 31 0.348 8(2P)3D 29 J 1.0 41 -90558.926R 90559.364 0.4 1.690 2p19p 3P -0.689 8(2P)3S 31 0.686 8(2P)3P 30 -0.209 8(2P)3D 29 42 P 90579.938 0.0 0.499 2p19f 1[1] 1.000 H(2P)3D 44 43 -90591.198R 90590.624 -0.6 1.150 2p20p 3S -0.804 9(2P)1P 36 -0.434 9(2P)3S 35 0.348 9(2P)3D 33 44 -90591.592R 90591.979 0.4 1.690 2p20p 3P -0.690 9(2P)3S 35 0.685 9(2P)3P 34 -0.210 9(2P)3D 33 45 P 90609.569 0.0 0.499 2p20f 1[1] 1.000 I(2P)3D 45 45 VECTORS WRITTEN TO UNIT 3 6.00 J 2.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 -89973.317R 89973.636 0.3 1.173 2p12p 3D 0.773 1(2P)3D 1 -0.505 1(2P)1D 3 0.383 1(2P)3P 2 2 -90036.888R 90037.659 0.8 1.305 2p12p 3P -0.699 1(2P)3P 2 0.601 1(2P)3D 1 0.388 1(2P)1D 3 3 -90046.870R 90043.141 -3.7 1.190 2p12p 1D -0.771 1(2P)1D 3 -0.604 1(2P)3P 2 -0.204 1(2P)3D 1 4 P 90057.326 0.0 0.880 2p12f 0[2] -0.683 A(2P)3F 28 -0.566 A(2P)1D 30 -0.462 A(2P)3D 29 5 -90104.961R 90105.061 0.1 1.172 2p13p 3D 0.759 2(2P)3D 4 -0.521 2(2P)1D 6 0.390 2(2P)3P 5 6 P 90120.494 0.0 0.854 2p12f 1[2] 0.730 A(2P)3F 28 -0.523 A(2P)1D 30 -0.439 A(2P)3D 29 7 P 90122.026 0.0 1.099 2p12f 1[1] 0.770 A(2P)3D 29 -0.638 A(2P)1D 30 8 -90168.061R 90168.758 0.7 1.298 2p13p 3P -0.685 2(2P)3P 5 0.617 2(2P)3D 4 0.388 2(2P)1D 6 9 P 90170.286 0.0 0.882 2p13f 0[2] -0.680 B(2P)3F 31 -0.568 B(2P)1D 33 -0.464 B(2P)3D 32 10 -90175.720R 90173.069 -2.7 1.197 2p13p 1D -0.760 2(2P)1D 6 -0.616 2(2P)3P 5 -0.206 2(2P)3D 4 11 -90208.090R 90208.072 0.0 1.172 2p14p 3D 0.749 3(2P)3D 7 -0.533 3(2P)1D 9 0.394 3(2P)3P 8 12 P 90233.498 0.0 0.852 2p13f 1[2] 0.734 B(2P)3F 31 -0.520 B(2P)1D 33 -0.437 B(2P)3D 32 13 P 90234.709 0.0 1.099 2p13f 1[1] 0.770 B(2P)3D 32 -0.638 B(2P)1D 33 14 P 90259.903 0.0 0.883 2p14f 0[2] -0.677 C(2P)3F 34 -0.570 C(2P)1D 36 -0.466 C(2P)3D 35 15 -90270.978R 90271.600 0.6 1.294 2p14p 3P -0.674 3(2P)3P 8 0.630 3(2P)3D 7 0.387 3(2P)1D 9 16 -90276.984R 90275.047 -1.9 1.203 2p14p 1D -0.753 3(2P)1D 9 -0.625 3(2P)3P 8 -0.207 3(2P)3D 7 17 -90290.395R 90290.317 -0.1 1.171 2p15p 3D 0.741 4(2P)3D 10 -0.541 4(2P)1D 12 0.397 4(2P)3P 11 18 P 90323.150 0.0 0.851 2p14f 1[2] 0.736 C(2P)3F 34 -0.518 C(2P)1D 36 -0.436 C(2P)3D 35 19 P 90324.123 0.0 1.099 2p14f 1[1] 0.770 C(2P)3D 35 -0.638 C(2P)1D 36 20 P 90332.191 0.0 0.884 2p15f 0[2] -0.675 D(2P)3F 37 -0.571 D(2P)1D 39 -0.467 D(2P)3D 38 J 2.0 21 -90353.205R 90353.756 0.6 1.290 2p15p 3P -0.666 4(2P)3P 11 0.639 4(2P)3D 10 0.386 4(2P)1D 12 22 -90357.135R 90356.553 -0.6 1.207 2p16p 3D -0.747 4(2P)1D 12 -0.632 4(2P)3P 11 -0.207 4(2P)3D 10 23 -90358.002R 90357.029 -1.0 1.170 2p15p 1D 0.735 5(2P)3D 13 -0.548 5(2P)1D 15 0.399 5(2P)3P 14 24 P 90391.346 0.0 0.885 2p16f 0[2] -0.674 E(2P)3F 40 -0.572 E(2P)1D 42 -0.468 E(2P)3D 41 25 P 90395.466 0.0 0.850 2p15f 1[2] 0.738 D(2P)3F 37 -0.517 D(2P)1D 39 -0.435 D(2P)3D 38 26 P 90396.260 0.0 1.099 2p15f 1[1] 0.770 D(2P)3D 38 -0.638 D(2P)1D 39 27 -90412.007R 90411.890 -0.1 1.170 2p17p 3D 0.731 6(2P)3D 16 -0.553 6(2P)1D 18 0.401 6(2P)3P 17 28 -90419.934R 90420.422 0.5 1.288 2p16p 3P -0.660 5(2P)3P 14 0.645 5(2P)3D 13 0.385 5(2P)1D 15 29 -90423.828R 90422.722 -1.1 1.210 2p16p 1D -0.743 5(2P)1D 15 -0.637 5(2P)3P 14 -0.207 5(2P)3D 13 30 P 90440.368 0.0 0.886 2p17f 0[2] -0.672 F(2P)3F 43 -0.573 F(2P)1D 45 -0.468 F(2P)3D 44 31 P 90454.644 0.0 0.849 2p16f 1[2] 0.739 E(2P)3F 40 -0.515 E(2P)1D 42 -0.434 E(2P)3D 41 32 P 90455.300 0.0 1.099 2p16f 1[1] 0.770 E(2P)3D 41 -0.638 E(2P)1D 42 33 -90457.669R 90457.552 -0.1 1.169 2p18p 3D 0.727 7(2P)3D 19 -0.557 7(2P)1D 21 0.402 7(2P)3P 20 34 -90474.829R 90475.261 0.4 1.286 2p17p 3P -0.655 6(2P)3P 17 0.651 6(2P)3D 16 0.385 6(2P)1D 18 35 -90478.033R 90477.174 -0.9 1.213 2p17p 1D -0.739 6(2P)1D 18 -0.641 6(2P)3P 17 -0.208 6(2P)3D 16 36 P 90481.444 0.0 0.886 2p18f 0[2] -0.672 G(2P)3F 46 -0.574 G(2P)1D 48 -0.469 G(2P)3D 47 37 -90496.075R 90495.963 -0.1 1.169 2p19p 3D 0.724 8(2P)3D 22 -0.560 8(2P)1D 24 0.403 8(2P)3P 23 38 P 90503.684 0.0 0.848 2p17f 1[2] 0.740 F(2P)3F 43 -0.515 F(2P)1D 45 -0.433 F(2P)3D 44 39 P 90504.233 0.0 1.099 2p17f 1[1] 0.770 F(2P)3D 44 -0.638 F(2P)1D 45 40 P 90516.205 0.0 0.886 2p19f 0[2] -0.671 H(2P)3F 49 -0.574 H(2P)1D 51 -0.469 H(2P)3D 50 J 2.0 41 -90520.529R 90520.913 0.4 1.284 2p18p 3P 0.655 7(2P)3D 19 -0.651 7(2P)3P 20 0.384 7(2P)1D 21 42 -90523.197R 90522.521 -0.7 1.215 2p18p 1D -0.736 7(2P)1D 21 -0.644 7(2P)3P 20 -0.208 7(2P)3D 19 43 -90528.685R 90528.582 -0.1 1.169 2p20p 3D 0.721 9(2P)3D 25 -0.563 9(2P)1D 27 0.404 9(2P)3P 26 44 P 90544.776 0.0 0.848 2p18f 1[2] 0.741 G(2P)3F 46 -0.514 G(2P)1D 48 -0.433 G(2P)3D 47 45 P 90545.239 0.0 1.099 2p18f 1[1] 0.770 G(2P)3D 47 -0.638 G(2P)1D 48 46 P 90545.881 0.0 0.887 2p20f 0[2] -0.670 I(2P)3F 52 -0.575 I(2P)1D 54 -0.469 I(2P)3D 53 47 -90558.979R 90559.321 0.3 1.283 2p19p 3P 0.658 8(2P)3D 22 -0.648 8(2P)3P 23 0.384 8(2P)1D 24 48 -90561.225R 90560.685 -0.5 1.217 2p19p 1D -0.734 8(2P)1D 24 -0.646 8(2P)3P 23 -0.208 8(2P)3D 22 49 P 90579.549 0.0 0.847 2p19f 1[2] 0.742 H(2P)3F 49 -0.513 H(2P)1D 51 -0.432 H(2P)3D 50 50 P 90579.943 0.0 1.099 2p19f 1[1] 0.770 H(2P)3D 50 -0.638 H(2P)1D 51 51 -90591.634R 90591.941 0.3 1.282 2p20p 3P 0.660 9(2P)3D 25 -0.646 9(2P)3P 26 0.383 9(2P)1D 27 52 -90593.542R 90593.107 -0.4 1.218 2p20p 1D -0.732 9(2P)1D 27 -0.648 9(2P)3P 26 -0.208 9(2P)3D 25 53 P 90609.235 0.0 0.847 2p20f 1[2] 0.742 I(2P)3F 52 -0.513 I(2P)1D 54 -0.432 I(2P)3D 53 54 P 90609.573 0.0 1.099 2p20f 1[1] -0.770 I(2P)3D 53 0.638 I(2P)1D 54 54 VECTORS WRITTEN TO UNIT 3 6.00 J 3.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 P 89977.199 0.0 0.749 2p11h 1[3] 1.000 J(2P)3G 46 2 -90027.894R 90031.357 3.5 1.334 2p12p 3D 1.000 1(2P)3D 1 3 P 90057.305 0.0 0.945 2p12f 0[2] 0.688 A(2P)3G 10 0.578 A(2P)1F 13 -0.437 A(2P)3D 12 4 P 90057.311 0.0 1.080 2p12f 0[3] -0.614 A(2P)3F 11 -0.585 A(2P)3D 12 -0.514 A(2P)3G 10 5 P 90119.723 0.0 0.960 2p12f 1[3] -0.652 A(2P)1F 13 -0.558 A(2P)3F 11 0.512 A(2P)3G 10 6 P 90120.479 0.0 1.182 2p12f 1[2] -0.683 A(2P)3D 12 0.556 A(2P)3F 11 -0.474 A(2P)1F 13 7 P 90121.998 0.0 0.749 2p12h 1[3] 1.000 K(2P)3G 47 8 -90161.209R 90163.938 2.7 1.334 2p13p 3D 1.000 2(2P)3D 2 9 P 90170.267 0.0 0.870 2p13f 0[2] 0.794 B(2P)3G 14 0.527 B(2P)1F 17 -0.282 B(2P)3D 16 10 P 90170.274 0.0 1.156 2p13f 0[3] -0.677 B(2P)3D 16 -0.602 B(2P)3F 15 -0.331 B(2P)3G 14 11 P 90232.894 0.0 0.961 2p13f 1[3] -0.654 B(2P)1F 17 -0.559 B(2P)3F 15 0.510 B(2P)3G 14 12 P 90233.486 0.0 1.180 2p13f 1[2] -0.680 B(2P)3D 16 0.559 B(2P)3F 15 -0.476 B(2P)1F 17 13 P 90234.688 0.0 0.749 2p13h 1[3] 1.000 L(2P)3G 48 14 P 90259.886 0.0 0.849 2p14f 0[2] 0.823 C(2P)3G 18 0.498 C(2P)1F 21 -0.219 C(2P)3D 20 15 P 90259.892 0.0 1.177 2p14f 0[3] -0.703 C(2P)3D 20 -0.587 C(2P)3F 19 0.309 C(2P)1F 21 16 -90265.635R 90267.824 2.2 1.334 2p14p 3D 1.000 3(2P)3D 3 17 P 90322.667 0.0 0.962 2p14f 1[3] -0.655 C(2P)1F 21 -0.560 C(2P)3F 19 0.508 C(2P)3G 18 18 P 90323.140 0.0 1.179 2p14f 1[2] 0.677 C(2P)3D 20 -0.560 C(2P)3F 19 0.477 C(2P)1F 21 19 P 90324.108 0.0 0.749 2p14h 1[3] 1.000 M(2P)3G 49 20 P 90332.175 0.0 0.839 2p15f 0[2] 0.835 D(2P)3G 22 0.480 D(2P)1F 25 0.195 D(2P)3F 23 J 3.0 21 P 90332.182 0.0 1.187 2p15f 0[3] -0.715 D(2P)3D 24 -0.576 D(2P)3F 23 0.333 D(2P)1F 25 22 -90348.957R 90350.739 1.8 1.334 2p15p 3D 1.000 4(2P)3D 4 23 P 90391.333 0.0 0.835 2p16f 0[2] 0.842 E(2P)3G 26 0.469 E(2P)1F 29 0.211 E(2P)3F 27 24 P 90391.339 0.0 1.192 2p16f 0[3] -0.721 E(2P)3D 28 -0.569 E(2P)3F 27 0.347 E(2P)1F 29 25 P 90395.074 0.0 0.962 2p15f 1[3] -0.655 D(2P)1F 25 -0.560 D(2P)3F 23 0.506 D(2P)3G 22 26 P 90395.458 0.0 1.179 2p15f 1[2] 0.675 D(2P)3D 24 -0.562 D(2P)3F 23 0.478 D(2P)1F 25 27 P 90396.248 0.0 0.749 2p15h 1[3] 1.000 N(2P)3G 50 28 -90416.500R 90417.972 1.5 1.334 2p16p 3D 1.000 5(2P)3D 5 29 P 90440.356 0.0 0.832 2p17f 0[2] 0.846 F(2P)3G 30 0.462 F(2P)1F 33 0.221 F(2P)3F 31 30 P 90440.362 0.0 1.195 2p17f 0[3] -0.725 F(2P)3D 32 -0.564 F(2P)3F 31 0.355 F(2P)1F 33 31 P 90454.322 0.0 0.962 2p16f 1[3] -0.656 E(2P)1F 29 -0.561 E(2P)3F 27 0.505 E(2P)3G 26 32 P 90454.638 0.0 1.178 2p16f 1[2] 0.674 E(2P)3D 28 -0.563 E(2P)3F 27 0.479 E(2P)1F 29 33 P 90455.291 0.0 0.749 2p16h 1[3] 1.000 O(2P)3G 51 34 -90472.011R 90473.242 1.2 1.334 2p17p 3D 1.000 6(2P)3D 6 35 P 90481.434 0.0 0.830 2p18f 0[2] 0.849 G(2P)3G 34 0.457 G(2P)1F 37 0.228 G(2P)3F 35 36 P 90481.439 0.0 1.197 2p18f 0[3] -0.728 G(2P)3D 36 -0.561 G(2P)3F 35 0.360 G(2P)1F 37 37 P 90503.416 0.0 0.963 2p17f 1[3] -0.656 F(2P)1F 33 -0.561 F(2P)3F 31 0.504 F(2P)3G 30 38 P 90503.679 0.0 1.178 2p17f 1[2] 0.672 F(2P)3D 32 -0.564 F(2P)3F 31 0.480 F(2P)1F 33 39 P 90504.225 0.0 0.749 2p17h 1[3] 1.000 P(2P)3G 52 40 P 90516.196 0.0 0.829 2p19f 0[2] 0.850 H(2P)3G 38 0.453 H(2P)1F 41 0.233 H(2P)3F 39 J 3.0 41 P 90516.201 0.0 1.198 2p19f 0[3] -0.730 H(2P)3D 40 -0.558 H(2P)3F 39 0.364 H(2P)1F 41 42 -90518.189R 90519.228 1.0 1.334 2p18p 3D 1.000 7(2P)3D 7 43 P 90544.550 0.0 0.963 2p18f 1[3] -0.657 G(2P)1F 37 -0.561 G(2P)3F 35 0.504 G(2P)3G 34 44 P 90544.772 0.0 1.177 2p18f 1[2] -0.672 G(2P)3D 36 0.564 G(2P)3F 35 -0.480 G(2P)1F 37 45 P 90545.232 0.0 0.749 2p18h 1[3] 1.000 Q(2P)3G 53 46 P 90545.873 0.0 0.829 2p20f 0[2] 0.851 I(2P)3G 42 0.451 I(2P)1F 45 0.235 I(2P)3F 43 47 P 90545.877 0.0 1.199 2p20f 0[3] 0.731 I(2P)3D 44 0.556 I(2P)3F 43 -0.366 I(2P)1F 45 48 -90557.013R 90557.901 0.9 1.334 2p19p 3D 1.000 8(2P)3D 8 49 P 90579.357 0.0 0.963 2p19f 1[3] -0.657 H(2P)1F 41 -0.562 H(2P)3F 39 0.503 H(2P)3G 38 50 P 90579.545 0.0 1.177 2p19f 1[2] -0.671 H(2P)3D 40 0.565 H(2P)3F 39 -0.481 H(2P)1F 41 51 P 90579.938 0.0 0.749 2p19h 1[3] 1.000 R(2P)3G 54 52 -90589.966R 90590.731 0.8 1.334 2p20p 3D 1.000 9(2P)3D 9 53 P 90609.071 0.0 0.963 2p20f 1[3] -0.657 I(2P)1F 45 -0.561 I(2P)3F 43 0.503 I(2P)3G 42 54 P 90609.232 0.0 1.177 2p20f 1[2] -0.670 I(2P)3D 44 0.566 I(2P)3F 43 -0.481 I(2P)1F 45 55 P 90609.569 0.0 0.749 2p20h 1[3] 1.000 S(2P)3G 55 55 VECTORS WRITTEN TO UNIT 3 6.00 J 4.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 P 89913.435 0.0 0.932 2p11h 0[4] -0.638 J(2P)3H 28 -0.574 J(2P)1G 30 -0.514 J(2P)3G 29 2 P 89976.690 0.0 0.890 2p11h 1[4] 0.770 J(2P)3H 28 -0.475 J(2P)1G 30 -0.425 J(2P)3G 29 3 P 89977.200 0.0 1.028 2p11h 1[3] 0.745 J(2P)3G 29 -0.667 J(2P)1G 30 4 P 90057.337 0.0 1.086 2p12f 0[3] -0.640 A(2P)3G 1 0.572 A(2P)1G 3 -0.512 A(2P)3F 2 5 P 90058.313 0.0 0.932 2p12h 0[4] -0.636 K(2P)3H 31 -0.575 K(2P)1G 33 -0.514 K(2P)3G 32 6 P 90119.740 0.0 1.192 2p12f 1[3] -0.859 A(2P)3F 2 0.391 A(2P)3G 1 -0.332 A(2P)1G 3 7 P 90121.300 0.0 1.022 2p12f 1[4] 0.750 A(2P)1G 3 0.661 A(2P)3G 1 8 P 90121.605 0.0 0.890 2p12h 1[4] 0.771 K(2P)3H 31 -0.474 K(2P)1G 33 -0.424 K(2P)3G 32 9 P 90121.998 0.0 1.028 2p12h 1[3] 0.745 K(2P)3G 32 -0.667 K(2P)1G 33 10 P 90170.292 0.0 1.086 2p13f 0[3] -0.642 B(2P)3G 4 0.573 B(2P)1G 6 -0.510 B(2P)3F 5 11 P 90171.060 0.0 0.932 2p13h 0[4] -0.636 L(2P)3H 34 -0.575 L(2P)1G 36 -0.515 L(2P)3G 35 12 P 90232.908 0.0 1.193 2p13f 1[3] -0.860 B(2P)3F 5 0.389 B(2P)3G 4 -0.330 B(2P)1G 6 13 P 90234.138 0.0 1.022 2p13f 1[4] 0.750 B(2P)1G 6 0.661 B(2P)3G 4 14 P 90234.379 0.0 0.890 2p13h 1[4] 0.772 L(2P)3H 34 -0.474 L(2P)1G 36 -0.424 L(2P)3G 35 15 P 90234.689 0.0 1.028 2p13h 1[3] 0.745 L(2P)3G 35 -0.667 L(2P)1G 36 16 P 90259.906 0.0 1.085 2p14f 0[3] -0.642 C(2P)3G 7 0.574 C(2P)1G 9 -0.508 C(2P)3F 8 17 P 90260.521 0.0 0.932 2p14h 0[4] -0.635 M(2P)3H 37 -0.576 M(2P)1G 39 -0.515 M(2P)3G 38 18 P 90322.678 0.0 1.193 2p14f 1[3] -0.861 C(2P)3F 8 0.388 C(2P)3G 7 -0.328 C(2P)1G 9 19 P 90323.665 0.0 1.022 2p14f 1[4] 0.750 C(2P)1G 9 0.661 C(2P)3G 7 20 P 90323.860 0.0 0.889 2p14h 1[4] 0.773 M(2P)3H 37 -0.473 M(2P)1G 39 -0.423 M(2P)3G 38 J 4.0 21 P 90324.108 0.0 1.028 2p14h 1[3] 0.745 M(2P)3G 38 -0.667 M(2P)1G 39 22 P 90332.192 0.0 1.085 2p15f 0[3] -0.643 D(2P)3G 10 0.575 D(2P)1G 12 -0.506 D(2P)3F 11 23 P 90332.693 0.0 0.933 2p15h 0[4] -0.634 N(2P)3H 40 -0.576 N(2P)1G 42 -0.515 N(2P)3G 41 24 P 90391.346 0.0 1.085 2p16f 0[3] -0.643 E(2P)3G 13 0.575 E(2P)1G 15 -0.505 E(2P)3F 14 25 P 90391.760 0.0 0.933 2p16h 0[4] -0.634 O(2P)3H 43 -0.576 O(2P)1G 45 -0.515 O(2P)3G 44 26 P 90395.084 0.0 1.194 2p15f 1[3] -0.862 D(2P)3F 11 0.387 D(2P)3G 10 -0.327 D(2P)1G 12 27 P 90395.888 0.0 1.022 2p15f 1[4] 0.750 D(2P)1G 12 0.661 D(2P)3G 10 28 P 90396.046 0.0 0.889 2p15h 1[4] 0.773 N(2P)3H 40 -0.473 N(2P)1G 42 -0.423 N(2P)3G 41 29 P 90396.248 0.0 1.028 2p15h 1[3] 0.745 N(2P)3G 41 -0.667 N(2P)1G 42 30 P 90440.367 0.0 1.085 2p17f 0[3] -0.644 F(2P)3G 16 0.576 F(2P)1G 18 -0.504 F(2P)3F 17 31 P 90440.712 0.0 0.933 2p17h 0[4] -0.634 P(2P)3H 46 -0.577 P(2P)1G 48 -0.516 P(2P)3G 47 32 P 90454.330 0.0 1.194 2p16f 1[3] -0.863 E(2P)3F 14 0.386 E(2P)3G 13 -0.326 E(2P)1G 15 33 P 90454.993 0.0 1.022 2p16f 1[4] 0.750 E(2P)1G 15 0.661 E(2P)3G 13 34 P 90455.125 0.0 0.889 2p16h 1[4] 0.773 O(2P)3H 43 -0.473 O(2P)1G 45 -0.423 O(2P)3G 44 35 P 90455.291 0.0 1.028 2p16h 1[3] 0.745 O(2P)3G 44 -0.667 O(2P)1G 45 36 P 90481.444 0.0 1.084 2p18f 0[3] -0.644 G(2P)3G 19 0.576 G(2P)1G 21 -0.504 G(2P)3F 20 37 P 90481.734 0.0 0.933 2p18h 0[4] -0.634 Q(2P)3H 49 -0.577 Q(2P)1G 51 -0.516 Q(2P)3G 50 38 P 90503.423 0.0 1.194 2p17f 1[3] -0.863 F(2P)3F 17 0.385 F(2P)3G 16 -0.326 F(2P)1G 18 39 P 90503.976 0.0 1.022 2p17f 1[4] 0.750 F(2P)1G 18 0.661 F(2P)3G 16 40 P 90504.086 0.0 0.889 2p17h 1[4] 0.773 P(2P)3H 46 -0.472 P(2P)1G 48 -0.423 P(2P)3G 47 J 4.0 41 P 90504.225 0.0 1.028 2p17h 1[3] 0.745 P(2P)3G 47 -0.667 P(2P)1G 48 42 P 90516.204 0.0 1.084 2p19f 0[3] -0.644 H(2P)3G 22 0.576 H(2P)1G 24 -0.503 H(2P)3F 23 43 P 90516.451 0.0 0.933 2p19h 0[4] -0.633 R(2P)3H 52 -0.577 R(2P)1G 54 -0.516 R(2P)3G 53 44 P 90544.556 0.0 1.194 2p18f 1[3] -0.864 G(2P)3F 20 0.385 G(2P)3G 19 -0.325 G(2P)1G 21 45 P 90545.023 0.0 1.022 2p18f 1[4] 0.750 G(2P)1G 21 0.661 G(2P)3G 19 46 P 90545.116 0.0 0.889 2p18h 1[4] 0.774 Q(2P)3H 49 -0.472 Q(2P)1G 51 -0.422 Q(2P)3G 50 47 P 90545.232 0.0 1.028 2p18h 1[3] 0.745 Q(2P)3G 50 -0.667 Q(2P)1G 51 48 P 90545.880 0.0 1.084 2p20f 0[3] -0.644 I(2P)3G 25 0.576 I(2P)1G 27 -0.503 I(2P)3F 26 49 P 90546.092 0.0 0.933 2p20h 0[4] -0.633 S(2P)3H 55 -0.577 S(2P)1G 57 -0.516 S(2P)3G 56 50 P 90579.362 0.0 1.195 2p19f 1[3] -0.864 H(2P)3F 23 0.384 H(2P)3G 22 -0.325 H(2P)1G 24 51 P 90579.759 0.0 1.022 2p19f 1[4] 0.750 H(2P)1G 24 0.661 H(2P)3G 22 52 P 90579.838 0.0 0.889 2p19h 1[4] 0.774 R(2P)3H 52 -0.472 R(2P)1G 54 -0.422 R(2P)3G 53 53 P 90579.938 0.0 1.028 2p19h 1[3] 0.745 R(2P)3G 53 -0.667 R(2P)1G 54 54 P 90609.075 0.0 1.195 2p20f 1[3] -0.864 I(2P)3F 26 0.384 I(2P)3G 25 -0.325 I(2P)1G 27 55 P 90609.416 0.0 1.022 2p20f 1[4] 0.750 I(2P)1G 27 0.661 I(2P)3G 25 56 P 90609.484 0.0 0.889 2p20h 1[4] 0.774 S(2P)3H 55 -0.472 S(2P)1G 57 -0.422 S(2P)3G 56 57 P 90609.569 0.0 1.028 2p20h 1[3] -0.745 S(2P)3G 56 0.667 S(2P)1G 57 57 VECTORS WRITTEN TO UNIT 3 6.00 J 5.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 P 89786.675 0.0 0.833 2p10k 1[5] 1.000 T(2P)3I 50 2 P 89913.435 0.0 1.124 2p11h 0[4] 0.768 J(2P)3G 12 -0.459 J(2P)1H 13 0.441 J(2P)3H 11 3 P 89913.436 0.0 0.887 2p11h 0[5] 0.845 J(2P)3I 10 0.394 J(2P)3H 11 0.357 J(2P)1H 13 4 P 89976.544 0.0 0.964 2p11h 1[5] -0.625 J(2P)1H 13 -0.572 J(2P)3H 11 0.531 J(2P)3I 10 5 P 89976.690 0.0 1.092 2p11h 1[4] -0.638 J(2P)3G 12 0.569 J(2P)3H 11 -0.520 J(2P)1H 13 6 P 89977.086 0.0 0.833 2p11k 1[5] 1.000 U(2P)3I 51 7 P 90058.313 0.0 1.104 2p12h 0[4] 0.739 K(2P)3G 16 -0.523 K(2P)1H 17 0.348 K(2P)3H 15 8 P 90058.314 0.0 0.907 2p12h 0[5] 0.812 K(2P)3I 14 0.477 K(2P)3H 15 0.252 K(2P)1H 17 9 P 90121.255 0.0 1.200 2p12f 1[4] 1.000 A(2P)3G 1 10 P 90121.493 0.0 0.964 2p12h 0[4] -0.626 K(2P)1H 17 -0.572 K(2P)3H 15 0.530 K(2P)3I 14 11 P 90121.605 0.0 1.092 2p12h 0[5] -0.636 K(2P)3G 16 0.569 K(2P)3H 15 -0.521 K(2P)1H 17 12 P 90121.911 0.0 0.833 2p12k 1[5] 1.000 V(2P)3I 52 13 P 90171.061 0.0 0.911 2p13h 0[4] 0.793 L(2P)3I 18 0.517 L(2P)1H 21 -0.273 L(2P)3G 20 14 P 90171.061 0.0 1.100 2p13h 0[5] 0.722 L(2P)3G 20 0.565 L(2P)3H 19 0.300 L(2P)3I 18 15 P 90234.102 0.0 1.200 2p13f 1[4] 1.000 B(2P)3G 2 16 P 90234.291 0.0 0.964 2p13h 1[5] -0.626 L(2P)1H 21 -0.573 L(2P)3H 19 0.530 L(2P)3I 18 17 P 90234.380 0.0 1.092 2p13h 1[4] -0.636 L(2P)3G 20 0.570 L(2P)3H 19 -0.521 L(2P)1H 21 18 P 90234.621 0.0 0.833 2p13k 1[5] 1.000 W(2P)3I 53 19 P 90260.521 0.0 1.127 2p14h 0[4] 0.773 M(2P)3G 24 0.469 M(2P)3H 23 -0.428 M(2P)1H 25 20 P 90260.522 0.0 0.884 2p14h 0[5] -0.849 M(2P)3I 22 -0.391 M(2P)1H 25 -0.357 M(2P)3H 23 J 5.0 21 P 90323.636 0.0 1.200 2p14f 1[4] 1.000 C(2P)3G 3 22 P 90323.790 0.0 0.964 2p14h 1[5] -0.627 M(2P)1H 25 -0.572 M(2P)3H 23 0.529 M(2P)3I 22 23 P 90323.860 0.0 1.092 2p14h 1[4] -0.635 M(2P)3G 24 0.571 M(2P)3H 23 -0.521 M(2P)1H 25 24 P 90324.054 0.0 0.833 2p14k 1[5] 1.000 X(2P)3I 54 25 P 90332.693 0.0 1.127 2p15h 0[4] 0.773 N(2P)3G 28 0.469 N(2P)3H 27 -0.428 N(2P)1H 29 26 P 90332.693 0.0 0.884 2p15h 0[5] 0.849 N(2P)3I 26 0.390 N(2P)1H 29 0.356 N(2P)3H 27 27 P 90391.760 0.0 1.127 2p16h 0[5] 0.773 O(2P)3G 32 0.468 O(2P)3H 31 -0.428 O(2P)1H 33 28 P 90391.760 0.0 0.884 2p16h 0[4] 0.849 O(2P)3I 30 0.390 O(2P)1H 33 0.356 O(2P)3H 31 29 P 90395.863 0.0 1.200 2p15f 1[4] 1.000 D(2P)3G 4 30 P 90395.989 0.0 0.964 2p15h 0[4] -0.627 N(2P)1H 29 -0.572 N(2P)3H 27 0.529 N(2P)3I 26 31 P 90396.046 0.0 1.092 2p15h 1[5] -0.634 N(2P)3G 28 0.571 N(2P)3H 27 -0.521 N(2P)1H 29 32 P 90396.205 0.0 0.833 2p15k 1[5] 1.000 Y(2P)3I 55 33 P 90440.712 0.0 1.127 2p17h 0[4] 0.773 P(2P)3G 36 0.468 P(2P)3H 35 -0.427 P(2P)1H 37 34 P 90440.712 0.0 0.884 2p17h 0[5] 0.849 P(2P)3I 34 0.390 P(2P)1H 37 0.356 P(2P)3H 35 35 P 90454.973 0.0 1.200 2p16f 1[4] 1.000 E(2P)3G 5 36 P 90455.078 0.0 0.964 2p16h 1[5] -0.627 O(2P)1H 33 -0.572 O(2P)3H 31 0.528 O(2P)3I 30 37 P 90455.125 0.0 1.092 2p16h 1[4] -0.634 O(2P)3G 32 0.571 O(2P)3H 31 -0.521 O(2P)1H 33 38 P 90455.255 0.0 0.833 2p16k 1[5] 1.000 Z(2P)3I 56 39 P 90481.734 0.0 1.127 2p18h 0[4] 0.774 Q(2P)3G 40 0.468 Q(2P)3H 39 -0.427 Q(2P)1H 41 40 P 90481.734 0.0 0.884 2p18h 0[5] 0.849 Q(2P)3I 38 0.390 Q(2P)1H 41 0.356 Q(2P)3H 39 J 5.0 41 P 90503.960 0.0 1.200 2p17f 1[4] 1.000 F(2P)3G 6 42 P 90504.047 0.0 0.964 2p17h 1[5] -0.627 P(2P)1H 37 -0.572 P(2P)3H 35 0.528 P(2P)3I 34 43 P 90504.086 0.0 1.091 2p17h 1[4] -0.634 P(2P)3G 36 0.571 P(2P)3H 35 -0.521 P(2P)1H 37 44 P 90504.195 0.0 0.833 2p17k 1[5] 1.000 a(2P)3I 57 45 P 90516.451 0.0 1.127 2p19h 0[4] 0.774 R(2P)3G 44 0.468 R(2P)3H 43 -0.427 R(2P)1H 45 46 P 90516.451 0.0 0.884 2p19h 0[5] 0.849 R(2P)3I 42 0.390 R(2P)1H 45 0.356 R(2P)3H 43 47 P 90545.009 0.0 1.200 2p18f 1[4] 1.000 G(2P)3G 7 48 P 90545.083 0.0 0.964 2p18h 1[5] -0.627 Q(2P)1H 41 -0.573 Q(2P)3H 39 0.528 Q(2P)3I 38 49 P 90545.116 0.0 1.091 2p18h 1[4] -0.634 Q(2P)3G 40 0.571 Q(2P)3H 39 -0.522 Q(2P)1H 41 50 P 90545.208 0.0 0.833 2p18k 1[5] 1.000 b(2P)3I 58 51 P 90546.092 0.0 1.127 2p20h 0[4] 0.774 S(2P)3G 48 0.468 S(2P)3H 47 -0.427 S(2P)1H 49 52 P 90546.092 0.0 0.884 2p20h 0[5] 0.849 S(2P)3I 46 0.390 S(2P)1H 49 0.356 S(2P)3H 47 53 P 90579.747 0.0 1.200 2p19f 1[4] 1.000 H(2P)3G 8 54 P 90579.810 0.0 0.964 2p19h 1[5] -0.627 R(2P)1H 45 -0.573 R(2P)3H 43 0.528 R(2P)3I 42 55 P 90579.838 0.0 1.091 2p19h 1[4] -0.633 R(2P)3G 44 0.571 R(2P)3H 43 -0.522 R(2P)1H 45 56 P 90579.917 0.0 0.833 2p19k 1[5] 1.000 c(2P)3I 59 57 P 90609.405 0.0 1.200 2p20f 1[4] 1.000 I(2P)3G 9 58 P 90609.460 0.0 0.964 2p20h 1[5] -0.627 S(2P)1H 49 -0.573 S(2P)3H 47 0.528 S(2P)3I 46 59 P 90609.484 0.0 1.091 2p20h 1[4] -0.633 S(2P)3G 48 0.572 S(2P)3H 47 -0.522 S(2P)1H 49 60 P 90609.551 0.0 0.833 2p20k 1[5] 1.000 d(2P)3I 60 60 VECTORS WRITTEN TO UNIT 3 6.00 J 6.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 P 89723.090 0.0 0.952 2p10k 0[6] -0.620 T(2P)3K 31 -0.576 T(2P)1I 33 -0.533 T(2P)3I 32 2 P 89786.408 0.0 0.916 2p10k 1[6] 0.785 T(2P)3K 31 -0.455 T(2P)1I 33 -0.421 T(2P)3I 32 3 P 89786.676 0.0 1.013 2p10k 1[5] 0.734 T(2P)3I 32 -0.680 T(2P)1I 33 4 P 89913.437 0.0 1.056 2p11h 0[5] -0.622 J(2P)3I 1 0.576 J(2P)1I 3 -0.531 J(2P)3H 2 5 P 89913.542 0.0 0.952 2p11k 0[6] -0.619 U(2P)3K 34 -0.576 U(2P)1I 36 -0.533 U(2P)3I 35 6 P 89976.545 0.0 1.124 2p11h 1[5] -0.847 J(2P)3H 2 0.390 J(2P)3I 1 -0.361 J(2P)1I 3 7 P 89976.885 0.0 0.916 2p11k 1[6] 0.785 U(2P)3K 34 -0.454 U(2P)1I 36 -0.421 U(2P)3I 35 8 P 89977.055 0.0 1.011 2p11h 1[6] 0.734 J(2P)1I 3 0.679 J(2P)3I 1 9 P 89977.086 0.0 1.013 2p11k 1[5] 0.734 U(2P)3I 35 -0.679 U(2P)1I 36 10 P 90058.314 0.0 1.056 2p12h 0[5] -0.622 K(2P)3I 4 0.576 K(2P)1I 6 -0.530 K(2P)3H 5 11 P 90058.396 0.0 0.952 2p12k 0[6] -0.619 V(2P)3K 37 -0.576 V(2P)1I 39 -0.534 V(2P)3I 38 12 P 90121.493 0.0 1.124 2p12h 1[5] -0.848 K(2P)3H 5 0.389 K(2P)3I 4 -0.360 K(2P)1I 6 13 P 90121.757 0.0 0.916 2p12k 1[6] 0.786 V(2P)3K 37 -0.454 V(2P)1I 39 -0.420 V(2P)3I 38 14 P 90121.886 0.0 1.011 2p12h 1[6] 0.734 K(2P)1I 6 0.679 K(2P)3I 4 15 P 90121.911 0.0 1.013 2p12k 1[5] 0.734 V(2P)3I 38 -0.679 V(2P)1I 39 16 P 90171.061 0.0 1.056 2p13h 0[5] -0.622 L(2P)3I 7 0.576 L(2P)1I 9 -0.530 L(2P)3H 8 17 P 90171.126 0.0 0.952 2p13k 0[6] -0.618 W(2P)3K 40 -0.577 W(2P)1I 42 -0.534 W(2P)3I 41 18 P 90234.292 0.0 1.124 2p13h 1[5] -0.848 L(2P)3H 8 0.389 L(2P)3I 7 -0.360 L(2P)1I 9 19 P 90234.499 0.0 0.916 2p13k 1[6] 0.786 W(2P)3K 40 -0.454 W(2P)1I 42 -0.420 W(2P)3I 41 20 P 90234.601 0.0 1.011 2p13h 1[6] 0.734 L(2P)1I 9 0.679 L(2P)3I 7 J 6.0 21 P 90234.621 0.0 1.013 2p13k 1[5] 0.734 W(2P)3I 41 -0.679 W(2P)1I 42 22 P 90260.522 0.0 1.056 2p14h 0[5] -0.623 M(2P)3I 10 0.576 M(2P)1I 12 -0.529 M(2P)3H 11 23 P 90260.574 0.0 0.952 2p14k 0[6] -0.618 X(2P)3K 43 -0.577 X(2P)1I 45 -0.534 X(2P)3I 44 24 P 90323.790 0.0 1.124 2p14h 1[5] -0.849 M(2P)3H 11 0.388 M(2P)3I 10 -0.359 M(2P)1I 12 25 P 90323.957 0.0 0.916 2p14k 1[6] 0.786 X(2P)3K 43 -0.454 X(2P)1I 45 -0.420 X(2P)3I 44 26 P 90324.038 0.0 1.011 2p14h 1[6] 0.734 M(2P)1I 12 0.679 M(2P)3I 10 27 P 90324.054 0.0 1.013 2p14k 1[5] 0.734 X(2P)3I 44 -0.679 X(2P)1I 45 28 P 90332.693 0.0 1.056 2p15h 0[5] -0.623 N(2P)3I 13 0.577 N(2P)1I 15 -0.529 N(2P)3H 14 29 P 90332.736 0.0 0.952 2p15k 0[6] -0.618 Y(2P)3K 46 -0.577 Y(2P)1I 48 -0.534 Y(2P)3I 47 30 P 90391.760 0.0 1.056 2p16h 0[5] -0.623 O(2P)3I 16 0.577 O(2P)1I 18 -0.528 O(2P)3H 17 31 P 90391.795 0.0 0.952 2p16k 0[6] -0.618 Z(2P)3K 49 -0.577 Z(2P)1I 51 -0.534 Z(2P)3I 50 32 P 90395.989 0.0 1.124 2p15h 1[5] -0.849 N(2P)3H 14 0.388 N(2P)3I 13 -0.359 N(2P)1I 15 33 P 90396.125 0.0 0.916 2p15k 1[6] 0.786 Y(2P)3K 46 -0.453 Y(2P)1I 48 -0.420 Y(2P)3I 47 34 P 90396.191 0.0 1.011 2p15h 1[6] 0.734 N(2P)1I 15 0.679 N(2P)3I 13 35 P 90396.205 0.0 1.013 2p15k 1[5] 0.734 Y(2P)3I 47 -0.679 Y(2P)1I 48 36 P 90440.712 0.0 1.056 2p17k 0[6] -0.623 P(2P)3I 19 0.577 P(2P)1I 21 -0.528 P(2P)3H 20 37 P 90440.742 0.0 0.952 2p17h 0[5] -0.618 a(2P)3K 52 -0.577 a(2P)1I 54 -0.534 a(2P)3I 53 38 P 90455.078 0.0 1.124 2p16h 1[5] -0.849 O(2P)3H 17 0.388 O(2P)3I 16 -0.359 O(2P)1I 18 39 P 90455.190 0.0 0.916 2p16k 1[6] 0.786 Z(2P)3K 49 -0.453 Z(2P)1I 51 -0.420 Z(2P)3I 50 40 P 90455.244 0.0 1.011 2p16h 1[6] 0.734 O(2P)1I 18 0.679 O(2P)3I 16 J 6.0 41 P 90455.255 0.0 1.013 2p16k 1[5] 0.734 Z(2P)3I 50 -0.679 Z(2P)1I 51 42 P 90481.734 0.0 1.056 2p18h 0[5] -0.623 Q(2P)3I 22 0.577 Q(2P)1I 24 -0.528 Q(2P)3H 23 43 P 90481.759 0.0 0.952 2p18k 0[6] -0.618 b(2P)3K 55 -0.577 b(2P)1I 57 -0.534 b(2P)3I 56 44 P 90504.047 0.0 1.124 2p17h 1[6] -0.849 P(2P)3H 20 0.388 P(2P)3I 19 -0.359 P(2P)1I 21 45 P 90504.141 0.0 0.916 2p17k 1[5] 0.786 a(2P)3K 52 -0.453 a(2P)1I 54 -0.420 a(2P)3I 53 46 P 90504.186 0.0 1.011 2p17h 1[6] 0.734 P(2P)1I 21 0.679 P(2P)3I 19 47 P 90504.195 0.0 1.013 2p17k 1[5] 0.734 a(2P)3I 53 -0.679 a(2P)1I 54 48 P 90516.451 0.0 1.056 2p19h 0[5] -0.623 R(2P)3I 25 0.577 R(2P)1I 27 -0.528 R(2P)3H 26 49 P 90516.473 0.0 0.952 2p19k 0[6] -0.618 c(2P)3K 58 -0.577 c(2P)1I 60 -0.534 c(2P)3I 59 50 P 90545.083 0.0 1.124 2p18h 1[5] -0.849 Q(2P)3H 23 0.387 Q(2P)3I 22 -0.359 Q(2P)1I 24 51 P 90545.162 0.0 0.916 2p18k 1[5] 0.786 b(2P)3K 55 -0.453 b(2P)1I 57 -0.420 b(2P)3I 56 52 P 90545.199 0.0 1.011 2p18h 1[6] 0.734 Q(2P)1I 24 0.679 Q(2P)3I 22 53 P 90545.208 0.0 1.013 2p18k 1[6] 0.734 b(2P)3I 56 -0.679 b(2P)1I 57 54 P 90546.092 0.0 1.056 2p20h 0[5] -0.623 S(2P)3I 28 0.577 S(2P)1I 30 -0.528 S(2P)3H 29 55 P 90546.110 0.0 0.952 2p20k 0[6] -0.618 d(2P)3K 61 -0.577 d(2P)1I 63 -0.534 d(2P)3I 62 56 P 90579.810 0.0 1.124 2p19h 1[5] -0.849 R(2P)3H 26 0.387 R(2P)3I 25 -0.359 R(2P)1I 27 57 P 90579.878 0.0 0.916 2p19k 1[5] 0.786 c(2P)3K 58 -0.453 c(2P)1I 60 -0.420 c(2P)3I 59 58 P 90579.910 0.0 1.011 2p19h 1[6] 0.734 R(2P)1I 27 0.679 R(2P)3I 25 59 P 90579.917 0.0 1.013 2p19k 1[6] 0.734 c(2P)3I 59 -0.679 c(2P)1I 60 60 P 90609.460 0.0 1.124 2p20h 1[5] -0.849 S(2P)3H 29 0.387 S(2P)3I 28 -0.359 S(2P)1I 30 J 6.0 61 P 90609.517 0.0 0.916 2p20k 1[5] 0.787 d(2P)3K 61 -0.453 d(2P)1I 63 -0.420 d(2P)3I 62 62 P 90609.545 0.0 1.011 2p20h 1[6] 0.734 S(2P)1I 30 0.679 S(2P)3I 28 63 P 90609.551 0.0 1.013 2p20k 1[6] -0.734 d(2P)3I 62 0.679 d(2P)1I 63 63 VECTORS WRITTEN TO UNIT 3 6.00 J 7.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 P 89723.090 0.0 0.915 2p10k 0[6] 0.836 T(2P)3L 11 0.435 T(2P)1K 14 0.325 T(2P)3K 12 2 P 89723.090 0.0 1.091 2p10k 0[7] 0.781 T(2P)3I 13 0.486 T(2P)3K 12 -0.383 T(2P)1K 14 3 P 89786.353 0.0 0.969 2p10k 1[7] -0.613 T(2P)1K 14 -0.575 T(2P)3K 12 0.542 T(2P)3L 11 4 P 89786.409 0.0 1.061 2p10k 1[6] -0.620 T(2P)3I 13 0.572 T(2P)3K 12 -0.537 T(2P)1K 14 5 P 89913.542 0.0 1.092 2p11k 0[6] 0.785 U(2P)3I 17 0.452 U(2P)3K 16 -0.423 U(2P)1K 18 6 P 89913.542 0.0 0.914 2p11k 0[7] 0.841 U(2P)3L 15 0.396 U(2P)1K 18 0.370 U(2P)3K 16 7 P 89976.844 0.0 0.969 2p11k 1[7] -0.614 U(2P)1K 18 -0.574 U(2P)3K 16 0.542 U(2P)3L 15 8 P 89976.885 0.0 1.061 2p11k 1[6] -0.619 U(2P)3I 17 0.573 U(2P)3K 16 -0.536 U(2P)1K 18 9 P 89977.055 0.0 1.143 2p11h 1[6] 1.000 J(2P)3I 1 10 P 90058.396 0.0 1.092 2p11k 0[6] 0.786 V(2P)3I 21 0.452 V(2P)3K 20 -0.423 V(2P)1K 22 11 P 90058.396 0.0 0.914 2p12k 0[7] 0.841 V(2P)3L 19 0.395 V(2P)1K 22 0.370 V(2P)3K 20 12 P 90121.725 0.0 0.969 2p12k 1[7] -0.614 V(2P)1K 22 -0.574 V(2P)3K 20 0.541 V(2P)3L 19 13 P 90121.757 0.0 1.061 2p12k 1[6] -0.619 V(2P)3I 21 0.574 V(2P)3K 20 -0.537 V(2P)1K 22 14 P 90121.887 0.0 1.143 2p12h 1[6] 1.000 K(2P)3I 2 15 P 90171.126 0.0 1.092 2p13k 0[6] 0.786 W(2P)3I 25 0.452 W(2P)3K 24 -0.422 W(2P)1K 26 16 P 90171.126 0.0 0.914 2p13k 0[7] 0.841 W(2P)3L 23 0.395 W(2P)1K 26 0.370 W(2P)3K 24 17 P 90234.475 0.0 0.969 2p13k 1[7] -0.614 W(2P)1K 26 -0.574 W(2P)3K 24 0.541 W(2P)3L 23 18 P 90234.499 0.0 1.061 2p13k 1[6] -0.618 W(2P)3I 25 0.574 W(2P)3K 24 -0.537 W(2P)1K 26 19 P 90234.601 0.0 1.143 2p13h 1[6] 1.000 L(2P)3I 3 20 P 90260.574 0.0 1.092 2p14k 0[6] 0.786 X(2P)3I 29 0.451 X(2P)3K 28 -0.422 X(2P)1K 30 J 7.0 21 P 90260.574 0.0 0.914 2p14k 0[7] 0.841 X(2P)3L 27 0.395 X(2P)1K 30 0.370 X(2P)3K 28 22 P 90323.937 0.0 0.969 2p14k 1[7] 0.614 X(2P)1K 30 0.575 X(2P)3K 28 -0.541 X(2P)3L 27 23 P 90323.957 0.0 1.061 2p14k 1[6] -0.618 X(2P)3I 29 0.574 X(2P)3K 28 -0.537 X(2P)1K 30 24 P 90324.038 0.0 1.143 2p14h 1[6] 1.000 M(2P)3I 4 25 P 90332.736 0.0 1.092 2p15k 0[6] -0.786 Y(2P)3I 33 -0.451 Y(2P)3K 32 0.422 Y(2P)1K 34 26 P 90332.736 0.0 0.914 2p15k 0[7] 0.841 Y(2P)3L 31 0.395 Y(2P)1K 34 0.369 Y(2P)3K 32 27 P 90391.795 0.0 1.092 2p16k 0[6] -0.786 Z(2P)3I 37 -0.451 Z(2P)3K 36 0.422 Z(2P)1K 38 28 P 90391.795 0.0 0.914 2p16k 0[7] 0.841 Z(2P)3L 35 0.395 Z(2P)1K 38 0.369 Z(2P)3K 36 29 P 90396.109 0.0 0.969 2p15k 1[7] -0.614 Y(2P)1K 34 -0.575 Y(2P)3K 32 0.541 Y(2P)3L 31 30 P 90396.125 0.0 1.061 2p15k 1[6] 0.618 Y(2P)3I 33 -0.574 Y(2P)3K 32 0.537 Y(2P)1K 34 31 P 90396.191 0.0 1.143 2p15h 1[6] 1.000 N(2P)3I 5 32 P 90440.742 0.0 1.092 2p17k 0[6] 0.786 a(2P)3I 41 0.451 a(2P)3K 40 -0.422 a(2P)1K 42 33 P 90440.742 0.0 0.914 2p17k 0[7] 0.841 a(2P)3L 39 0.395 a(2P)1K 42 0.369 a(2P)3K 40 34 P 90455.177 0.0 0.969 2p16k 1[7] -0.614 Z(2P)1K 38 -0.575 Z(2P)3K 36 0.541 Z(2P)3L 35 35 P 90455.190 0.0 1.061 2p16k 1[6] 0.618 Z(2P)3I 37 -0.574 Z(2P)3K 36 0.537 Z(2P)1K 38 36 P 90455.244 0.0 1.143 2p16h 1[6] 1.000 O(2P)3I 6 37 P 90481.759 0.0 1.092 2p18k 0[6] 0.786 b(2P)3I 45 0.451 b(2P)3K 44 -0.422 b(2P)1K 46 38 P 90481.759 0.0 0.914 2p18k 0[7] 0.841 b(2P)3L 43 0.395 b(2P)1K 46 0.369 b(2P)3K 44 39 P 90504.130 0.0 0.969 2p17k 1[7] -0.614 a(2P)1K 42 -0.575 a(2P)3K 40 0.541 a(2P)3L 39 40 P 90504.141 0.0 1.061 2p17k 1[6] -0.618 a(2P)3I 41 0.574 a(2P)3K 40 -0.537 a(2P)1K 42 J 7.0 41 P 90504.186 0.0 1.143 2p17h 1[6] 1.000 P(2P)3I 7 42 P 90516.473 0.0 1.092 2p19k 0[6] -0.786 c(2P)3I 49 -0.451 c(2P)3K 48 0.422 c(2P)1K 50 43 P 90516.473 0.0 0.914 2p19k 0[7] -0.841 c(2P)3L 47 -0.395 c(2P)1K 50 -0.369 c(2P)3K 48 44 P 90545.152 0.0 0.969 2p18k 1[7] -0.614 b(2P)1K 46 -0.575 b(2P)3K 44 0.540 b(2P)3L 43 45 P 90545.162 0.0 1.061 2p18k 1[6] -0.618 b(2P)3I 45 0.574 b(2P)3K 44 -0.537 b(2P)1K 46 46 P 90545.199 0.0 1.143 2p18h 1[6] 1.000 Q(2P)3I 8 47 P 90546.110 0.0 1.092 2p20k 0[6] -0.787 d(2P)3I 53 -0.451 d(2P)3K 52 0.422 d(2P)1K 54 48 P 90546.110 0.0 0.914 2p20k 0[7] 0.841 d(2P)3L 51 0.395 d(2P)1K 54 0.369 d(2P)3K 52 49 P 90579.870 0.0 0.969 2p19k 1[7] -0.614 c(2P)1K 50 -0.575 c(2P)3K 48 0.540 c(2P)3L 47 50 P 90579.878 0.0 1.061 2p19k 1[6] 0.618 c(2P)3I 49 -0.574 c(2P)3K 48 0.537 c(2P)1K 50 51 P 90579.910 0.0 1.143 2p19h 1[6] 1.000 R(2P)3I 9 52 P 90609.511 0.0 0.969 2p20k 1[7] -0.615 d(2P)1K 54 -0.575 d(2P)3K 52 0.540 d(2P)3L 51 53 P 90609.517 0.0 1.061 2p20k 1[6] -0.618 d(2P)3I 53 0.574 d(2P)3K 52 -0.537 d(2P)1K 54 54 P 90609.545 0.0 1.143 2p20h 1[6] 1.000 S(2P)3I 10 54 VECTORS WRITTEN TO UNIT 3 6.00 J 8.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 P 89723.091 0.0 1.042 2p10k 0[7] -0.611 T(2P)3L 1 0.576 T(2P)1L 3 -0.542 T(2P)3K 2 2 P 89786.354 0.0 1.091 2p10k 1[7] -0.840 T(2P)3K 2 0.395 T(2P)3L 1 -0.372 T(2P)1L 3 3 P 89786.621 0.0 1.007 2p10k 1[8] 0.728 T(2P)1L 3 0.686 T(2P)3L 1 4 P 89913.542 0.0 1.042 2p11k 0[7] -0.612 U(2P)3L 4 0.577 U(2P)1L 6 -0.542 U(2P)3K 5 5 P 89976.844 0.0 1.091 2p11k 1[7] -0.841 U(2P)3K 5 0.394 U(2P)3L 4 -0.372 U(2P)1L 6 6 P 89977.045 0.0 1.007 2p11k 1[8] 0.728 U(2P)1L 6 0.686 U(2P)3L 4 7 P 90058.396 0.0 1.042 2p12k 0[7] -0.612 V(2P)3L 7 0.577 V(2P)1L 9 -0.541 V(2P)3K 8 8 P 90121.725 0.0 1.091 2p12k 1[7] -0.841 V(2P)3K 8 0.394 V(2P)3L 7 -0.371 V(2P)1L 9 9 P 90121.880 0.0 1.007 2p12k 1[8] 0.728 V(2P)1L 9 0.686 V(2P)3L 7 10 P 90171.126 0.0 1.042 2p13k 0[7] -0.612 W(2P)3L 10 0.577 W(2P)1L 12 -0.541 W(2P)3K 11 11 P 90234.475 0.0 1.091 2p13k 1[7] -0.841 W(2P)3K 11 0.394 W(2P)3L 10 -0.371 W(2P)1L 12 12 P 90234.596 0.0 1.007 2p13k 1[8] 0.728 W(2P)1L 12 0.686 W(2P)3L 10 13 P 90260.574 0.0 1.042 2p14k 0[7] -0.612 X(2P)3L 13 0.577 X(2P)1L 15 -0.541 X(2P)3K 14 14 P 90323.937 0.0 1.091 2p14k 1[7] -0.841 X(2P)3K 14 0.394 X(2P)3L 13 -0.371 X(2P)1L 15 15 P 90324.034 0.0 1.007 2p14k 1[8] 0.728 X(2P)1L 15 0.686 X(2P)3L 13 16 P 90332.736 0.0 1.042 2p15k 0[7] -0.612 Y(2P)3L 16 0.577 Y(2P)1L 18 -0.541 Y(2P)3K 17 17 P 90391.795 0.0 1.042 2p16k 0[7] -0.612 Z(2P)3L 19 0.577 Z(2P)1L 21 -0.541 Z(2P)3K 20 18 P 90396.109 0.0 1.091 2p15k 1[7] -0.841 Y(2P)3K 17 0.393 Y(2P)3L 16 -0.371 Y(2P)1L 18 19 P 90396.189 0.0 1.007 2p15k 1[8] 0.728 Y(2P)1L 18 0.686 Y(2P)3L 16 20 P 90440.742 0.0 1.042 2p17k 0[7] -0.612 a(2P)3L 22 0.577 a(2P)1L 24 -0.541 a(2P)3K 23 J 8.0 21 P 90455.177 0.0 1.091 2p16k 1[7] -0.841 Z(2P)3K 20 0.393 Z(2P)3L 19 -0.371 Z(2P)1L 21 22 P 90455.242 0.0 1.007 2p16k 1[8] 0.728 Z(2P)1L 21 0.686 Z(2P)3L 19 23 P 90481.759 0.0 1.042 2p18k 0[7] -0.612 b(2P)3L 25 0.577 b(2P)1L 27 -0.540 b(2P)3K 26 24 P 90504.130 0.0 1.091 2p17k 1[7] -0.841 a(2P)3K 23 0.393 a(2P)3L 22 -0.371 a(2P)1L 24 25 P 90504.184 0.0 1.007 2p17k 1[8] 0.728 a(2P)1L 24 0.686 a(2P)3L 22 26 P 90516.473 0.0 1.042 2p19k 0[7] -0.612 c(2P)3L 28 0.577 c(2P)1L 30 -0.540 c(2P)3K 29 27 P 90545.152 0.0 1.091 2p18k 1[7] -0.841 b(2P)3K 26 0.393 b(2P)3L 25 -0.371 b(2P)1L 27 28 P 90545.198 0.0 1.007 2p18k 1[8] 0.728 b(2P)1L 27 0.686 b(2P)3L 25 29 P 90546.110 0.0 1.042 2p20k 0[7] -0.612 d(2P)3L 31 0.577 d(2P)1L 33 -0.540 d(2P)3K 32 30 P 90579.870 0.0 1.091 2p19k 1[7] -0.841 c(2P)3K 29 0.393 c(2P)3L 28 -0.371 c(2P)1L 30 31 P 90579.909 0.0 1.007 2p19k 1[8] 0.728 c(2P)1L 30 0.686 c(2P)3L 28 32 P 90609.511 0.0 1.091 2p20k 1[7] 0.841 d(2P)3K 32 -0.393 d(2P)3L 31 0.371 d(2P)1L 33 33 P 90609.544 0.0 1.007 2p20k 1[8] 0.728 d(2P)1L 33 0.686 d(2P)3L 31 33 VECTORS WRITTEN TO UNIT 3 6.00 J 9.0 1 2p12p 2 2p13p 3 2p14p 4 2p15p 5 2p16p 6 2p17p 7 2p18p 8 2p19p 9 2p20p A 2p12f B 2p13f C 2p14f D 2p15f E 2p16f F 2p17f G 2p18f H 2p19f I 2p20f J 2p11h K 2p12h L 2p13h M 2p14h N 2p15h O 2p16h P 2p17h Q 2p18h R 2p19h S 2p20h T 2p10k U 2p11k V 2p12k W 2p13k X 2p14k Y 2p15k Z 2p16k a 2p17k b 2p18k c 2p19k d 2p20k OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 P 89786.621 0.0 1.111 2p10k 1[8] 1.000 T(2P)3L 1 2 P 89977.045 0.0 1.111 2p11k 1[8] 1.000 U(2P)3L 2 3 P 90121.880 0.0 1.111 2p12k 1[8] 1.000 V(2P)3L 3 4 P 90234.596 0.0 1.111 2p13k 1[8] 1.000 W(2P)3L 4 5 P 90324.034 0.0 1.111 2p14k 1[8] 1.000 X(2P)3L 5 6 P 90396.189 0.0 1.111 2p15k 1[8] 1.000 Y(2P)3L 6 7 P 90455.242 0.0 1.111 2p16k 1[8] 1.000 Z(2P)3L 7 8 P 90504.184 0.0 1.111 2p17k 1[8] 1.000 a(2P)3L 8 9 P 90545.198 0.0 1.111 2p18k 1[8] 1.000 b(2P)3L 9 10 P 90579.909 0.0 1.111 2p19k 1[8] 1.000 c(2P)3L 10 11 P 90609.544 0.0 1.111 2p20k 1[8] 1.000 d(2P)3L 11 11 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 16-NOV-2004 15:52:53.94 Accounting information: Buffered I/O count: 190 Peak working set size: 9600 Direct I/O count: 487 Peak virtual size: 322416 Page faults: 1822 Mounted volumes: 0 Charged CPU time: 0 00:00:01.27 Elapsed time: 0 00:00:14.75