1NPAR 57 NJ 9 FIRSTJ 0.5 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 9 9 9 7 7 5 5 3 3 0 0 0 0 0 0 57 9 1 0 9 18 27 34 41 46 51 54 57 57 57 57 57 57 1 2 3 4 5 6 7 8 9 1 0 0 0 0.500 1.100 2 1.0 30 55 60 60 50 40 20 20 10 10 10 0 0 0 0 2 1.0 9 9 9 7 7 5 5 3 3 0 0 0 0 0 0 20.09 03s 4s 5s 6s 7s 8s 9s 10s 011s 3d 4d 5d 6d 7d 8d 9d 010d 11d 5g 6g 7g 8g 9g 10g 011g 7i 8i 9i 10i 11i 9l 10l 011l 0 0.5 0. 2p6(1S)3s 2S 3s 2S 0 0.5 832790. 2p6(1S)4s 2S 4s 2S 0 0.5 1174710. 2p6(1S)5s 2S 5s 2S 0 0.5 1348380. 2p6(1S)6s 2S 6s 2S 0 0.5 1448710. 2p6(1S)7s 2S 7s 2S 0 0.5 1511780. 2p6(1S)8s 2S 8s 2S 0 -1.0 0 1.5 417112. 2p6(1S)3d 2D 3d 2D 0 1.5 987300. 2p6(1S)4d 2D 4d 2D 0 1.5 1248920. 2p6(1S)5d 2D 5d 2D 0 1.5 1389840. 2p6(1S)6d 2D 6d 2D 0 1.5 1474040. 2p6(1S)7d 2D 7d 2D 0 1.5 1528490. 2p6(1S)8d 2D 8d 2D 0 1.5 1565730. 2p6(1S)9d 2D 9d 2D 0 -1.0 0 2.5 417522. 2p6(1S)3d 2D 3d 2D 0 2.5 987490. 2p6(1S)4d 2D 4d 2D 0 2.5 1249030. 2p6(1S)5d 2D 5d 2D 0 2.5 1389870. 2p6(1S)6d 2D 6d 2D 0 2.5 1474090. 2p6(1S)7d 2D 7d 2D 0 2.5 1528510. 2p6(1S)8d 2D 8d 2D 0 2.5 1565730. 2p6(1S)9d 2D 9d 2D 0 2.5 1592260. 2p6(1S)10d 2D 10d 2D 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 0 -1.0 57 43.3 1 1 EAV 0.0 43.3 0.0 1.000 0 -3600.000 0 2 2 EAV 832790.0 43.3 835837.8 1.000 0 -3600.000 0 3 3 EAV 1174710.0 43.3 1178131.3 1.000 0 -3600.000 0 4 4 EAV 1348380.0 43.3 1351944.1 1.000 0 -3600.000 0 5 5 EAV 1448710.0 43.3 1452276.0 1.000 0 -3600.000 0 6 6 EAV 1511780.0 43.3 1515423.8 1.000 0 -3600.000 0 7 7 EAV 1557732.6 0.0 1557732.6 FIXEDHF 1.000 0 -3600.000 0 8 8 EAV 1587460.9 0.0 1587460.9 FIXEDHF 1.000 0 -3600.000 0 9 9 EAV 1609149.1 0.0 1609149.1 FIXEDHF 1.000 0 -3600.000 0 10 A EAV 417372.5 30.6 419731.7 1.000 0 0.000 0 11 A ZETA 2 222.0 0.0 222.0 1.000 0 0.000 0 12 B EAV 987419.2 30.6 990984.0 1.000 0 0.000 0 13 B ZETA 2 96.6 0.0 96.6 1.000 0 0.000 0 14 C EAV 1248987.4 30.6 1252593.3 1.000 0 0.000 0 15 C ZETA 2 49.6 0.0 49.6 FIXEDHF 1.000 0 0.000 0 16 D EAV 1389862.2 30.6 1393411.9 1.000 0 0.000 0 17 D ZETA 2 28.8 0.0 28.8 FIXEDHF 1.000 0 0.000 0 18 E EAV 1474069.5 30.6 1477729.5 1.000 0 0.000 0 19 E ZETA 2 18.1 0.0 18.1 FIXEDHF 1.000 0 0.000 0 20 F EAV 1528503.0 30.6 1532165.7 1.000 0 0.000 0 21 F ZETA 2 12.1 0.0 12.1 FIXEDHF 1.000 0 0.000 0 22 G EAV 1565732.1 30.6 1569331.1 1.000 0 0.000 0 23 G ZETA 2 8.5 0.0 8.5 FIXEDHF 1.000 0 0.000 0 24 H EAV 1592253.8 43.3 1595825.2 1.000 0 0.000 0 25 H ZETA 2 6.2 0.0 6.2 FIXEDHF 1.000 0 0.000 0 26 I EAV 1615377.1 0.0 1615377.1 FIXEDHF 1.000 0 -3600.000 0 27 I ZETA 2 4.6 0.0 4.6 FIXEDHF 1.000 0 0.000 0 28 J EAV 1268210.1 0.0 1268210.1 FIXEDHF 1.000 0 -3600.000 0 29 J ZETA 3 5.6 0.0 5.6 FIXEDHF 1.000 0 0.000 0 30 K EAV 1402456.9 0.0 1402456.9 FIXEDHF 1.000 0 -3600.000 0 31 K ZETA 3 3.1 0.0 3.1 FIXEDHF 1.000 0 0.000 0 32 L EAV 1483428.3 0.0 1483428.3 FIXEDHF 1.000 0 -3600.000 0 33 L ZETA 3 2.0 0.0 2.0 FIXEDHF 1.000 0 0.000 0 34 M EAV 1535983.7 0.0 1535983.7 FIXEDHF 1.000 0 -3600.000 0 35 M ZETA 3 1.3 0.0 1.3 FIXEDHF 1.000 0 0.000 0 36 N EAV 1572011.2 0.0 1572011.2 FIXEDHF 1.000 0 -3600.000 0 37 N ZETA 3 0.9 0.0 0.9 FIXEDHF 1.000 0 0.000 0 38 O EAV 1597779.3 0.0 1597779.3 FIXEDHF 1.000 0 -3600.000 0 39 O ZETA 3 0.6 0.0 0.6 FIXEDHF 1.000 0 0.000 0 40 P EAV 1616846.1 0.0 1616846.1 FIXEDHF 1.000 0 -3600.000 0 41 P ZETA 3 0.5 0.0 0.5 FIXEDHF 1.000 0 0.000 0 42 Q EAV 1483633.6 0.0 1483633.6 FIXEDHF 1.000 0 -3600.000 0 43 Q ZETA 4 0.7 0.0 0.7 FIXEDHF 1.000 0 0.000 0 44 R EAV 1536123.1 0.0 1536123.1 FIXEDHF 1.000 0 -3600.000 0 45 R ZETA 4 0.5 0.0 0.5 FIXEDHF 1.000 0 0.000 0 46 S EAV 1572111.4 0.0 1572111.4 FIXEDHF 1.000 0 -3600.000 0 47 S ZETA 4 0.3 0.0 0.3 FIXEDHF 1.000 0 0.000 0 48 T EAV 1597854.0 0.0 1597854.0 FIXEDHF 1.000 0 -3600.000 0 49 T ZETA 4 0.2 0.0 0.2 FIXEDHF 1.000 0 0.000 0 50 U EAV 1616901.8 0.0 1616901.8 FIXEDHF 1.000 0 -3600.000 0 51 U ZETA 4 0.2 0.0 0.2 FIXEDHF 1.000 0 0.000 0 52 V EAV 1572120.0 0.0 1572120.0 FIXEDHF 1.000 0 -3600.000 0 53 V ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.000 0 54 W EAV 1597858.8 0.0 1597858.8 FIXEDHF 1.000 0 -3600.000 0 55 W ZETA 5 0.1 0.0 0.1 FIXEDHF 1.000 0 0.000 0 56 X EAV 1616904.4 0.0 1616904.4 FIXEDHF 1.000 0 -3600.000 0 57 X ZETA 5 0.0 0.0 0.0 FIXEDHF 1.000 0 0.000 0 1 J 0.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 0. 0.000 0.0 2.002 3s 2S 1.000 1(2S)2S 1 2 832790. 832790.000 0.0 2.002 4s 2S 1.000 2(2S)2S 2 3 1174710. 1174710.000 0.0 2.002 5s 2S 1.000 3(2S)2S 3 4 1348380. 1348380.000 0.0 2.002 6s 2S 1.000 4(2S)2S 4 5 1448710. 1448710.000 0.0 2.002 7s 2S 1.000 5(2S)2S 5 6 1511780. 1511780.000 0.0 2.002 8s 2S 1.000 6(2S)2S 6 7 1554132.600 2.002 1.000 7(2S)2S 7 8 1583860.900 2.002 1.000 8(2S)2S 8 9 1605549.100 2.002 1.000 9(2S)2S 9 1 J 1.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 417112. 417039.500 -72.5 0.800 3d 2D 1.000 A(2D)2D 1 2 987300. 987274.300 -25.7 0.800 4d 2D 1.000 B(2D)2D 2 3 1248920. 1248913.000 -7.0 0.800 5d 2D 1.000 C(2D)2D 3 4 1389840. 1389819.000 -21.0 0.800 6d 2D 1.000 D(2D)2D 4 5 1474040. 1474042.350 2.3 0.800 7d 2D 1.000 E(2D)2D 5 6 1528490. 1528484.850 -5.2 0.800 8d 2D 1.000 F(2D)2D 6 7 1565730. 1565719.350 -10.6 0.800 9d 2D 1.000 G(2D)2D 7 8 1592244.500 0.800 1.000 H(2D)2D 8 9 1611770.200 0.800 1.000 I(2D)2D 9 1 J 2.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 417522. 417594.500 72.5 1.200 3d 2D 1.000 A(2D)2D 1 2 987490. 987515.800 25.8 1.200 4d 2D 1.000 B(2D)2D 2 3 1249030. 1249037.000 7.0 1.200 5d 2D 1.000 C(2D)2D 3 4 1389870. 1389891.000 21.0 1.200 6d 2D 1.000 D(2D)2D 4 5 1474090. 1474087.600 -2.4 1.200 7d 2D 1.000 E(2D)2D 5 6 1528510. 1528515.100 5.1 1.200 8d 2D 1.000 F(2D)2D 6 7 1565730. 1565740.600 10.6 1.200 9d 2D 1.000 G(2D)2D 7 8 1592260. 1592260.000 0.0 1.200 10d 2D 1.000 H(2D)2D 8 9 1611781.700 1.200 1.000 I(2D)2D 9 1 J 3.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1264596.100 0.889 1.000 J(2G)2G 1 2 1398849.150 0.889 1.000 K(2G)2G 2 3 1479823.300 0.889 1.000 L(2G)2G 3 4 1532380.450 0.889 1.000 M(2G)2G 4 5 1568408.950 0.889 1.000 N(2G)2G 5 6 1594177.800 0.889 1.000 O(2G)2G 6 7 1613244.850 0.889 1.000 P(2G)2G 7 1 J 4.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1264621.300 1.111 1.000 J(2G)2G 1 2 1398863.100 1.111 1.000 K(2G)2G 2 3 1479832.300 1.111 1.000 L(2G)2G 3 4 1532386.300 1.111 1.000 M(2G)2G 4 5 1568413.000 1.111 1.000 N(2G)2G 5 6 1594180.500 1.111 1.000 O(2G)2G 6 7 1613247.100 1.111 1.000 P(2G)2G 7 1 J 5.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1480031.150 0.923 1.000 Q(2I)2I 1 2 1532521.350 0.923 1.000 R(2I)2I 2 3 1568510.350 0.923 1.000 S(2I)2I 3 4 1594253.300 0.923 1.000 T(2I)2I 4 5 1613301.100 0.923 1.000 U(2I)2I 5 1 J 6.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1480035.700 1.077 1.000 Q(2I)2I 1 2 1532524.600 1.077 1.000 R(2I)2I 2 3 1568512.300 1.077 1.000 S(2I)2I 3 4 1594254.600 1.077 1.000 T(2I)2I 4 5 1613302.400 1.077 1.000 U(2I)2I 5 1 J 7.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1568519.550 0.941 1.000 V(1S)2L 1 2 1594258.350 0.941 1.000 W(1S)2L 2 3 1613304.400 0.941 1.000 X(1S)2L 3 1 J 8.5 20.09 3s 1 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 4s 2 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 5s 3 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 6s 4 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 7s 5 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 8s 6 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 9s 7 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 10s 8 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 11s 9 s 1 d 0 g 0 i 0 l 0 s 0 s 0 s 0 3d A s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 4d B s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5d C s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 6d D s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 7d E s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 8d F s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 9d G s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 10d H s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 11d I s 0 d 1 g 0 i 0 l 0 s 0 s 0 s 0 5g J s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 6g K s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7g L s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 8g M s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 9g N s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 10g O s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 11g P s 0 d 0 g 1 i 0 l 0 s 0 s 0 s 0 7i Q s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 8i R s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9i S s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 10i T s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 11i U s 0 d 0 g 0 i 1 l 0 s 0 s 0 s 0 9l V s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 10l W s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 11l X s 0 d 0 g 0 i 0 l 1 s 0 s 0 s 0 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 1568520.400 1.059 1.000 V(1S)2L 1 2 1594259.200 1.059 1.000 W(1S)2L 2 3 1613304.400 1.059 1.000 X(1S)2L 3 1 07:35:18 042:44.456 destroy log2009e -noverify 07:35:19 042:44.491 setcowan 07:35:19 042:44.496 ifget leastc.x 07:35:19 042:44.661 set2009 07:35:19 042:44.666 ifget b2009e.i 07:35:20 042:44.831 ifget h2009e.h 07:35:20 042:44.997 runx leastc tape1=h2009e.h tape3=c2009e.e tape5=b2009e.i & 07:35:20 042:44.997 tape6=c2009e.o tape7=c2009e.p tape15=c2009e15 tape16=c2009e16 07:35:46 042:45.696 store c2009e.e 07:35:49 042:45.723 log log2009e