3.00 938 lines saved 938 positive lines saved 59 even 59 odd levels 43487 ion pot cm-1 1 1s2 2s 2 1s2 3s 3 1s2 4s 4 1s2 5s 5 1s2 6s 6 1s2 7s 7 1s2 8s 8 1s2 9s 9 1s2 10s A 1s2 11s B 1s2 12s C 1s2 3d D 1s2 4d E 1s2 5d F 1s2 6d G 1s2 7d H 1s2 8d I 1s2 9d J 1s2 10d K 1s2 11d L 1s2 12d M 1s2 5g N 1s2 6g O 1s2 7g P 1s2 8g Q 1s2 9g R 1s2 10g S 1s2 11g T 1s2 12g U 1s2 7i V 1s2 8i W 1s2 9i X 1s2 10i Y 1s2 11i Z 1s2 12i a b c d e f g h i j k l m n o p q r s t u v w x y z ! " # $ % & ' ( ) * + , - . / : ; < = > ? @ [ \ ] ^ _ ` { | } ~ 0 1 1s2 2s 2 1s2 3s 3 1s2 4s 4 1s2 5s 5 1s2 6s 6 1s2 7s 7 1s2 8s 8 1s2 9s 9 1s2 10s A 1s2 11s B 1s2 12s C 1s2 3d D 1s2 4d E 1s2 5d F 1s2 6d G 1s2 7d H 1s2 8d I 1s2 9d J 1s2 10d K 1s2 11d L 1s2 12d M 1s2 5g N 1s2 6g O 1s2 7g P 1s2 8g Q 1s2 9g R 1s2 10g S 1s2 11g T 1s2 12g U 1s2 7i V 1s2 8i W 1s2 9i X 1s2 10i Y 1s2 11i Z 1s2 12i a b c d e f g h i j k l m n o p q r s t u v w x y z ! " # $ % & ' ( ) * + , - . / : ; < = > ? @ [ \ ] ^ _ ` { | } ~ 0 level type: EVE or ODD + even or odd observed level level type: ERz or ORz even or odd extrapolated Ritz level level type: EPo or OPo even or odd extrapolated polarization level level type: EVE or ODD - even or odd least squares predicted level ELEM index(J) E(cm-1) J label g Lande' sum A C4 C6 sum f 3 largest eigenvector components 3.00EVE 1 0.000 0.5 1s2.2s 2S 2.002 0.00E+00 3.00EVE 2 27206.095 0.5 1s2.3s 2S 2.002 0.00E+00 3.00EVE 3 35012.033 0.5 1s2.4s 2S 2.002 8.25E-01 3.00EVE 4 38299.463 0.5 1s2.5s 2S 2.002 5.49E-01 3.00EVE 5 39987.586 0.5 1s2.6s 2S 2.002 3.36E-01 3.00EVE 6 40968.030 0.5 1s2.7s 2S 2.002 2.12E-01 3.00EVE 7 41587.470 0.5 1s2.8s 2S 2.002 1.41E-01 3.00ERz 8 42003.560 0.5 1s2.9s 2S 2.002 9.74E-02 3.00ERz 9 42296.570 0.5 1s2.10s 2S 2.002 6.99E-02 3.00ERz 10 42510.620 0.5 1s2.11s 2S 2.002 5.18E-02 3.00ERz 11 42671.730 0.5 1s2.12s 2S 2.002 3.94E-02 3.00EVE 1 31283.051 1.5 1s2.3d 2D 0.800 3.00E+02 3.00EVE 2 36623.336 1.5 1s2.4d 2D 0.800 1.17E+02 3.00EVE 3 39094.861 1.5 1s2.5d 2D 0.800 5.72E+01 3.00EVE 4 40437.220 1.5 1s2.6d 2D 0.800 3.22E+01 3.00EVE 5 41246.630 1.5 1s2.7d 2D 0.800 1.99E+01 3.00EVE 6 41771.830 1.5 1s2.8d 2D 0.800 1.32E+01 3.00EVE 7 42131.930 1.5 1s2.9d 2D 0.800 9.21E+00 3.00EPo 8 42389.450 1.5 1s2.10d 2D 0.800 6.67E+00 3.00EPo 9 42579.990 1.5 1s2.11d 2D 0.800 4.99E+00 3.00EPo 10 42724.910 1.5 1s2.12d 2D 0.800 3.83E+00 3.00EVE 1 31283.087 2.5 1s2.3d 2D 1.200 3.00E+02 3.00EVE 2 36623.351 2.5 1s2.4d 2D 1.200 1.17E+02 3.00EVE 3 39094.869 2.5 1s2.5d 2D 1.200 5.72E+01 3.00EVE 4 40437.220 2.5 1s2.6d 2D 1.200 3.22E+01 3.00EVE 5 41246.630 2.5 1s2.7d 2D 1.200 1.99E+01 3.00EVE 6 41771.830 2.5 1s2.8d 2D 1.200 1.32E+01 3.00EVE 7 42131.930 2.5 1s2.9d 2D 1.200 9.21E+00 3.00EPo 8 42389.450 2.5 1s2.10d 2D 1.200 6.67E+00 3.00EPo 9 42579.990 2.5 1s2.11d 2D 1.200 4.99E+00 3.00EPo 10 42724.910 2.5 1s2.12d 2D 1.200 3.83E+00 3.00EVE 1 39097.941 3.5 1s2.5g 2G 0.889 1.27E+01 3.00EPo 2 40439.060 3.5 1s2.6g 2G 0.889 8.86E+00 3.00EPo 3 41247.740 3.5 1s2.7g 2G 0.889 6.15E+00 3.00EPo 4 41772.610 3.5 1s2.8g 2G 0.889 4.37E+00 3.00EPo 5 42133.450 3.5 1s2.9g 2G 0.889 3.19E+00 3.00EPo 6 42389.850 3.5 1s2.10g 2G 0.889 2.39E+00 3.00EPo 7 42580.290 3.5 1s2.11g 2G 0.889 1.83E+00 3.00EPo 8 42725.150 3.5 1s2.12g 2G 0.889 1.43E+00 3.00EVE 1 39097.941 4.5 1s2.5g 2G 1.111 1.27E+01 3.00EPo 2 40439.060 4.5 1s2.6g 2G 1.111 8.86E+00 3.00EPo 3 41247.740 4.5 1s2.7g 2G 1.111 6.15E+00 3.00EPo 4 41772.610 4.5 1s2.8g 2G 1.111 4.37E+00 3.00EPo 5 42133.450 4.5 1s2.9g 2G 1.111 3.19E+00 3.00EPo 6 42389.850 4.5 1s2.10g 2G 1.111 2.39E+00 3.00EPo 7 42580.290 4.5 1s2.11g 2G 1.111 1.83E+00 3.00EPo 8 42725.150 4.5 1s2.12g 2G 1.111 1.43E+00 3.00EPo 1 41247.740 5.5 1s2.7i 2I 0.923 1.06E+00 3.00EPo 2 41772.610 5.5 1s2.8i 2I 0.923 8.36E-01 3.00EPo 3 42133.450 5.5 1s2.9i 2I 0.923 6.48E-01 3.00EPo 4 42389.850 5.5 1s2.10i 2I 0.923 5.02E-01 3.00EPo 5 42580.290 5.5 1s2.11i 2I 0.923 3.94E-01 3.00EPo 6 42725.150 5.5 1s2.12i 2I 0.923 3.14E-01 3.00EPo 1 41247.740 6.5 1s2.7i 2I 1.077 1.06E+00 3.00EPo 2 41772.610 6.5 1s2.8i 2I 1.077 8.36E-01 3.00EPo 3 42133.450 6.5 1s2.9i 2I 1.077 6.48E-01 3.00EPo 4 42389.850 6.5 1s2.10i 2I 1.077 5.02E-01 3.00EPo 5 42580.290 6.5 1s2.11i 2I 1.077 3.94E-01 3.00EPo 6 42725.150 6.5 1s2.12i 2I 1.077 3.14E-01