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 0 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 0 120.09 J 0.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 9 120.09 J 1.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 9 120.09 J 2.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 9 120.09 J 3.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 7 120.09 J 4.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 7 120.09 J 5.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 5 120.09 J 6.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 5 120.09 J 7.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 3 120.09 J 8.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 20.09 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 3s 1 1 EAV 0.0 51.2 0.0 0.0 0.0 0.000 1.000 0 -3600.000 0 4s 2 2 EAV 832790.0 51.2 0.0 832790.0 835837.8 0.000 1.000 0 -3600.000 0 5s 3 3 EAV 1174710.0 51.2 0.0 1174710.0 1178131.3 0.000 1.000 0 -3600.000 0 6s 4 4 EAV 1348380.0 51.2 0.0 1348380.0 1351944.1 0.000 1.000 0 -3600.000 0 7s 5 5 EAV 1448710.0 51.2 0.0 1448710.0 1452276.0 0.000 1.000 0 -3600.000 0 8s 6 6 EAV 1511780.0 51.2 0.0 1511780.0 1515423.8 0.000 1.000 0 -3600.000 0 9s 7 7 EAV 1554132.6 0.0 0.0 1554132.6 1557732.6 0.000 FIXEDHF 1.000 0 -3600.000 0 10s 8 8 EAV 1583860.9 0.0 0.0 1583860.9 1587460.9 0.000 FIXEDHF 1.000 0 -3600.000 0 11s 9 9 EAV 1605549.1 0.0 0.0 1605549.1 1609149.1 0.000 FIXEDHF 1.000 0 -3600.000 0 3d 10 A EAV 417372.5 36.2 -14.5 417358.0 419731.7 0.000 1.000 0 0.000 0 11 A ZETA 2 222.0 29.0 -58.0 164.0 222.0 0.739 1.000 0 0.000 0 4d 12 B EAV 987419.2 36.2 -5.2 987414.0 990984.0 0.000 1.000 0 0.000 0 13 B ZETA 2 96.6 29.0 -20.6 76.0 96.6 0.787 1.000 0 0.000 0 5d 14 C EAV 1248987.4 36.2 0.0 1248987.4 1252593.3 0.000 1.000 0 0.000 0 15 C ZETA 2 49.6 0.0 0.0 49.6 49.6 1.000 FIXEDHF 1.000 0 0.000 0 6d 16 D EAV 1389862.2 36.2 0.0 1389862.2 1393411.9 0.000 1.000 0 0.000 0 17 D ZETA 2 28.8 0.0 0.0 28.8 28.8 1.000 FIXEDHF 1.000 0 0.000 0 7d 18 E EAV 1474069.5 36.2 0.0 1474069.5 1477729.5 0.000 1.000 0 0.000 0 19 E ZETA 2 18.1 0.0 0.0 18.1 18.1 1.000 FIXEDHF 1.000 0 0.000 0 8d 20 F EAV 1528503.0 36.2 0.0 1528503.0 1532165.7 0.000 1.000 0 0.000 0 21 F ZETA 2 12.1 0.0 0.0 12.1 12.1 1.000 FIXEDHF 1.000 0 0.000 0 9d 22 G EAV 1565732.1 36.2 0.0 1565732.1 1569331.1 0.000 1.000 0 0.000 0 23 G ZETA 2 8.5 0.0 0.0 8.5 8.5 1.000 FIXEDHF 1.000 0 0.000 0 10d 24 H EAV 1592253.8 51.2 0.0 1592253.8 1595825.2 0.000 1.000 0 0.000 0 25 H ZETA 2 6.2 0.0 0.0 6.2 6.2 1.000 FIXEDHF 1.000 0 0.000 0 11d 26 I EAV 1611777.1 0.0 0.0 1611777.1 1615377.1 0.000 FIXEDHF 1.000 0 -3600.000 0 27 I ZETA 2 4.6 0.0 0.0 4.6 4.6 1.000 FIXEDHF 1.000 0 0.000 0 5g 28 J EAV 1264610.1 0.0 0.0 1264610.1 1268210.1 0.000 FIXEDHF 1.000 0 -3600.000 0 29 J ZETA 3 5.6 0.0 0.0 5.6 5.6 1.000 FIXEDHF 1.000 0 0.000 0 6g 30 K EAV 1398856.9 0.0 0.0 1398856.9 1402456.9 0.000 FIXEDHF 1.000 0 -3600.000 0 31 K ZETA 3 3.1 0.0 0.0 3.1 3.1 1.000 FIXEDHF 1.000 0 0.000 0 7g 32 L EAV 1479828.3 0.0 0.0 1479828.3 1483428.3 0.000 FIXEDHF 1.000 0 -3600.000 0 33 L ZETA 3 2.0 0.0 0.0 2.0 2.0 1.000 FIXEDHF 1.000 0 0.000 0 8g 34 M EAV 1532383.7 0.0 0.0 1532383.7 1535983.7 0.000 FIXEDHF 1.000 0 -3600.000 0 35 M ZETA 3 1.3 0.0 0.0 1.3 1.3 1.000 FIXEDHF 1.000 0 0.000 0 9g 36 N EAV 1568411.2 0.0 0.0 1568411.2 1572011.2 0.000 FIXEDHF 1.000 0 -3600.000 0 37 N ZETA 3 0.9 0.0 0.0 0.9 0.9 1.000 FIXEDHF 1.000 0 0.000 0 10g 38 O EAV 1594179.3 0.0 0.0 1594179.3 1597779.3 0.000 FIXEDHF 1.000 0 -3600.000 0 39 O ZETA 3 0.6 0.0 0.0 0.6 0.6 1.000 FIXEDHF 1.000 0 0.000 0 11g 40 P EAV 1613246.1 0.0 0.0 1613246.1 1616846.1 0.000 FIXEDHF 1.000 0 -3600.000 0 41 P ZETA 3 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.000 0 7i 42 Q EAV 1480033.6 0.0 0.0 1480033.6 1483633.6 0.000 FIXEDHF 1.000 0 -3600.000 0 43 Q ZETA 4 0.7 0.0 0.0 0.7 0.7 1.000 FIXEDHF 1.000 0 0.000 0 8i 44 R EAV 1532523.1 0.0 0.0 1532523.1 1536123.1 0.000 FIXEDHF 1.000 0 -3600.000 0 45 R ZETA 4 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.000 0 9i 46 S EAV 1568511.4 0.0 0.0 1568511.4 1572111.4 0.000 FIXEDHF 1.000 0 -3600.000 0 47 S ZETA 4 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.000 0 10i 48 T EAV 1594254.0 0.0 0.0 1594254.0 1597854.0 0.000 FIXEDHF 1.000 0 -3600.000 0 49 T ZETA 4 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.000 0 11i 50 U EAV 1613301.8 0.0 0.0 1613301.8 1616901.8 0.000 FIXEDHF 1.000 0 -3600.000 0 51 U ZETA 4 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.000 0 9l 52 V EAV 1568520.0 0.0 0.0 1568520.0 1572120.0 0.000 FIXEDHF 1.000 0 -3600.000 0 53 V ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.000 0 10l 54 W EAV 1594258.8 0.0 0.0 1594258.8 1597858.8 0.000 FIXEDHF 1.000 0 -3600.000 0 55 W ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.000 0 11l 56 X EAV 1613304.4 0.0 0.0 1613304.4 1616904.4 0.000 FIXEDHF 1.000 0 -3600.000 0 57 X ZETA 5 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.000 0 STANDARD DEVIATION 51.2 ITERATION 1 120.09 J 0.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 9 120.09 J 1.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 417112. 417112.000 0.0 0.800 3d 2D 1.000 A(2D)2D 1 2 987300. 987300.000 0.0 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. 1474042.375 2.4 0.800 7d 2D 1.000 E(2D)2D 5 6 1528490. 1528484.875 -5.1 0.800 8d 2D 1.000 F(2D)2D 6 7 1565730. 1565719.375 -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 9 120.09 J 2.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 417522. 417522.000 0.0 1.200 3d 2D 1.000 A(2D)2D 1 2 987490. 987490.000 0.0 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. 1474087.625 -2.4 1.200 7d 2D 1.000 E(2D)2D 5 6 1528510. 1528515.125 5.1 1.200 8d 2D 1.000 F(2D)2D 6 7 1565730. 1565740.625 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 9 120.09 J 3.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 7 120.09 J 4.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 7 120.09 J 5.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 5 120.09 J 6.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 5 120.09 J 7.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 3 120.09 J 8.5 0 1 3s 2 4s 3 5s 4 6s 5 7s 6 8s 7 9s 8 10s 9 11s A 3d 0 B 4d C 5d D 6d E 7d F 8d G 9d H 10d I 11d J 5g K 6g 0 L 7g M 8g N 9g O 10g P 11g Q 7i R 8i S 9i T 10i U 11i 0 V 9l W 10l X 11l 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 20.09 PARAMETER VARIANCE CHANGE NEW HF RATIO CONSTRAINTS 3s 1 1 EAV 0.0 15.9 0.0 0.0 0.0 0.000 1.000 0 -3600.000 0 4s 2 2 EAV 832790.0 15.9 0.0 832790.0 835837.8 0.000 1.000 0 -3600.000 0 5s 3 3 EAV 1174710.0 15.9 0.0 1174710.0 1178131.3 0.000 1.000 0 -3600.000 0 6s 4 4 EAV 1348380.0 15.9 0.0 1348380.0 1351944.1 0.000 1.000 0 -3600.000 0 7s 5 5 EAV 1448710.0 15.9 0.0 1448710.0 1452276.0 0.000 1.000 0 -3600.000 0 8s 6 6 EAV 1511780.0 15.9 0.0 1511780.0 1515423.8 0.000 1.000 0 -3600.000 0 9s 7 7 EAV 1554132.6 0.0 0.0 1554132.6 1557732.6 0.000 FIXEDHF 1.000 0 -3600.000 0 10s 8 8 EAV 1583860.9 0.0 0.0 1583860.9 1587460.9 0.000 FIXEDHF 1.000 0 -3600.000 0 11s 9 9 EAV 1605549.1 0.0 0.0 1605549.1 1609149.1 0.000 FIXEDHF 1.000 0 -3600.000 0 3d 10 A EAV 417358.0 11.3 0.0 417358.0 419731.7 0.000 1.000 0 0.000 0 11 A ZETA 2 164.0 9.0 0.0 164.0 222.0 0.739 1.000 0 0.000 0 4d 12 B EAV 987414.0 11.3 0.0 987414.0 990984.0 0.000 1.000 0 0.000 0 13 B ZETA 2 76.0 9.0 0.0 76.0 96.6 0.787 1.000 0 0.000 0 5d 14 C EAV 1248987.4 11.3 0.0 1248987.4 1252593.3 0.000 1.000 0 0.000 0 15 C ZETA 2 49.6 0.0 0.0 49.6 49.6 1.000 FIXEDHF 1.000 0 0.000 0 6d 16 D EAV 1389862.2 11.3 0.0 1389862.2 1393411.9 0.000 1.000 0 0.000 0 17 D ZETA 2 28.8 0.0 0.0 28.8 28.8 1.000 FIXEDHF 1.000 0 0.000 0 7d 18 E EAV 1474069.5 11.3 0.0 1474069.5 1477729.5 0.000 1.000 0 0.000 0 19 E ZETA 2 18.1 0.0 0.0 18.1 18.1 1.000 FIXEDHF 1.000 0 0.000 0 8d 20 F EAV 1528503.0 11.3 0.0 1528503.0 1532165.7 0.000 1.000 0 0.000 0 21 F ZETA 2 12.1 0.0 0.0 12.1 12.1 1.000 FIXEDHF 1.000 0 0.000 0 9d 22 G EAV 1565732.1 11.3 0.0 1565732.1 1569331.1 0.000 1.000 0 0.000 0 23 G ZETA 2 8.5 0.0 0.0 8.5 8.5 1.000 FIXEDHF 1.000 0 0.000 0 10d 24 H EAV 1592253.8 15.9 0.0 1592253.8 1595825.2 0.000 1.000 0 0.000 0 25 H ZETA 2 6.2 0.0 0.0 6.2 6.2 1.000 FIXEDHF 1.000 0 0.000 0 11d 26 I EAV 1611777.1 0.0 0.0 1611777.1 1615377.1 0.000 FIXEDHF 1.000 0 -3600.000 0 27 I ZETA 2 4.6 0.0 0.0 4.6 4.6 1.000 FIXEDHF 1.000 0 0.000 0 5g 28 J EAV 1264610.1 0.0 0.0 1264610.1 1268210.1 0.000 FIXEDHF 1.000 0 -3600.000 0 29 J ZETA 3 5.6 0.0 0.0 5.6 5.6 1.000 FIXEDHF 1.000 0 0.000 0 6g 30 K EAV 1398856.9 0.0 0.0 1398856.9 1402456.9 0.000 FIXEDHF 1.000 0 -3600.000 0 31 K ZETA 3 3.1 0.0 0.0 3.1 3.1 1.000 FIXEDHF 1.000 0 0.000 0 7g 32 L EAV 1479828.3 0.0 0.0 1479828.3 1483428.3 0.000 FIXEDHF 1.000 0 -3600.000 0 33 L ZETA 3 2.0 0.0 0.0 2.0 2.0 1.000 FIXEDHF 1.000 0 0.000 0 8g 34 M EAV 1532383.7 0.0 0.0 1532383.7 1535983.7 0.000 FIXEDHF 1.000 0 -3600.000 0 35 M ZETA 3 1.3 0.0 0.0 1.3 1.3 1.000 FIXEDHF 1.000 0 0.000 0 9g 36 N EAV 1568411.2 0.0 0.0 1568411.2 1572011.2 0.000 FIXEDHF 1.000 0 -3600.000 0 37 N ZETA 3 0.9 0.0 0.0 0.9 0.9 1.000 FIXEDHF 1.000 0 0.000 0 10g 38 O EAV 1594179.3 0.0 0.0 1594179.3 1597779.3 0.000 FIXEDHF 1.000 0 -3600.000 0 39 O ZETA 3 0.6 0.0 0.0 0.6 0.6 1.000 FIXEDHF 1.000 0 0.000 0 11g 40 P EAV 1613246.1 0.0 0.0 1613246.1 1616846.1 0.000 FIXEDHF 1.000 0 -3600.000 0 41 P ZETA 3 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.000 0 7i 42 Q EAV 1480033.6 0.0 0.0 1480033.6 1483633.6 0.000 FIXEDHF 1.000 0 -3600.000 0 43 Q ZETA 4 0.7 0.0 0.0 0.7 0.7 1.000 FIXEDHF 1.000 0 0.000 0 8i 44 R EAV 1532523.1 0.0 0.0 1532523.1 1536123.1 0.000 FIXEDHF 1.000 0 -3600.000 0 45 R ZETA 4 0.5 0.0 0.0 0.5 0.5 1.000 FIXEDHF 1.000 0 0.000 0 9i 46 S EAV 1568511.4 0.0 0.0 1568511.4 1572111.4 0.000 FIXEDHF 1.000 0 -3600.000 0 47 S ZETA 4 0.3 0.0 0.0 0.3 0.3 1.000 FIXEDHF 1.000 0 0.000 0 10i 48 T EAV 1594254.0 0.0 0.0 1594254.0 1597854.0 0.000 FIXEDHF 1.000 0 -3600.000 0 49 T ZETA 4 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.000 0 11i 50 U EAV 1613301.8 0.0 0.0 1613301.8 1616901.8 0.000 FIXEDHF 1.000 0 -3600.000 0 51 U ZETA 4 0.2 0.0 0.0 0.2 0.2 1.000 FIXEDHF 1.000 0 0.000 0 9l 52 V EAV 1568520.0 0.0 0.0 1568520.0 1572120.0 0.000 FIXEDHF 1.000 0 -3600.000 0 53 V ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.000 0 10l 54 W EAV 1594258.8 0.0 0.0 1594258.8 1597858.8 0.000 FIXEDHF 1.000 0 -3600.000 0 55 W ZETA 5 0.1 0.0 0.0 0.1 0.1 1.000 FIXEDHF 1.000 0 0.000 0 11l 56 X EAV 1613304.4 0.0 0.0 1613304.4 1616904.4 0.000 FIXEDHF 1.000 0 -3600.000 0 57 X ZETA 5 0.0 0.0 0.0 0.0 0.0 0.000 FIXEDHF 1.000 0 0.000 0 STANDARD DEVIATION 15.9 ITERATION 2 1 07:32:22 042:40.593 destroy log2009e -noverify 07:32:23 042:40.628 setcowan 07:32:23 042:40.632 ifget leaste.x 07:32:24 042:40.798 set2009 07:32:24 042:40.802 ifget b2009e.i 07:32:24 042:40.967 ifget h2009e.h 07:32:24 042:41.133 runx leaste tape1=h2009e.h tape3=b2009e.e tape5=b2009e.i & 07:32:24 042:41.133 tape6=b2009e.o tape7=b2009e.p tape15=b2009e15 tape16=b2009e16 07:33:30 042:42.247 store b2009e.p 07:33:32 042:42.272 log log2009e