4.01 0 lines saved 0 positive lines saved 59 even 59 odd levels 146882 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 4.01EVE 1 0.000 0.5 1s2.2s 2S 2.002 0.00E+00 4.01EVE 2 88231.915 0.5 1s2.3s 2S 2.002 0.00E+00 4.01EVE 3 115464.440 0.5 1s2.4s 2S 2.002 0.00E+00 4.01EVE 4 127335.120 0.5 1s2.5s 2S 2.002 0.00E+00 4.01EVE 5 133556.440 0.5 1s2.6s 2S 2.002 0.00E+00 4.01ERz 6 137218.780 0.5 1s2.7s 2S 2.002 0.00E+00 4.01ERz 7 139555.160 0.5 1s2.8s 2S 2.002 0.00E+00 4.01ERz 8 141136.300 0.5 1s2.9s 2S 2.002 0.00E+00 4.01ERz 9 142255.840 0.5 1s2.10s 2S 2.002 0.00E+00 4.01EVE 10 -143077.500 0.5 A(2S)2S 10 2.002 0.00E+00 4.01EVE 11 -143700.100 0.5 B(2S)2S 11 2.002 0.00E+00 4.01EVE 1 98054.570 1.5 1s2.3d 2D 0.800 0.00E+00 4.01EVE 2 119421.200 1.5 1s2.4d 2D 0.800 0.00E+00 4.01EVE 3 129310.130 1.5 1s2.5d 2D 0.800 0.00E+00 4.01EVE 4 134681.150 1.5 1s2.6d 2D 0.800 0.00E+00 4.01EVE 5 137919.170 1.5 1s2.7d 2D 0.800 0.00E+00 4.01EPo 6 140020.580 1.5 1s2.8d 2D 0.800 0.00E+00 4.01EPo 7 141461.150 1.5 1s2.9d 2D 0.800 0.00E+00 4.01EVE 8 -142493.200 1.5 J(2D)2D 8 0.800 0.00E+00 4.01EVE 9 -143257.000 1.5 K(2D)2D 9 0.800 0.00E+00 4.01EVE 10 -143837.800 1.5 L(2D)2D 10 0.800 0.00E+00 4.01EVE 1 98055.100 2.5 1s2.3d 2D 1.200 1.61E-12 4.01EVE 2 119421.440 2.5 1s2.4d 2D 1.200 1.50E-13 4.01EVE 3 129310.250 2.5 1s2.5d 2D 1.200 1.87E-14 4.01EVE 4 134681.150 2.5 1s2.6d 2D 1.200 0.00E+00 4.01EVE 5 137919.170 2.5 1s2.7d 2D 1.200 0.00E+00 4.01EPo 6 140020.580 2.5 1s2.8d 2D 1.200 0.00E+00 4.01EPo 7 141461.150 2.5 1s2.9d 2D 1.200 0.00E+00 4.01EVE 8 -142493.200 2.5 J(2D)2D 8 1.200 0.00E+00 4.01EVE 9 -143257.000 2.5 K(2D)2D 9 1.200 0.00E+00 4.01EVE 10 -143837.800 2.5 L(2D)2D 10 1.200 0.00E+00 4.01EVE 1 129325.460 3.5 1s2.5g 2G 0.889 0.00E+00 4.01EVE 2 134690.160 3.5 1s2.6g 2G 0.889 0.00E+00 4.01EVE 3 137925.110 3.5 1s2.7g 2G 0.889 0.00E+00 4.01EVE 4 140024.580 3.5 1s2.8g 2G 0.889 0.00E+00 4.01EPo 5 141463.950 3.5 1s2.9g 2G 0.889 0.00E+00 4.01EPo 6 142493.550 3.5 1s2.10g 2G 0.889 0.00E+00 4.01EVE 7 -143255.100 3.5 S(2G)2G 7 0.889 0.00E+00 4.01EVE 8 -143834.600 3.5 T(2G)2G 8 0.889 0.00E+00 4.01EVE 1 129325.460 4.5 1s2.5g 2G 1.111 0.00E+00 4.01EVE 2 134690.160 4.5 1s2.6g 2G 1.111 0.00E+00 4.01EVE 3 137925.110 4.5 1s2.7g 2G 1.111 0.00E+00 4.01EVE 4 140024.580 4.5 1s2.8g 2G 1.111 0.00E+00 4.01EPo 5 141463.950 4.5 1s2.9g 2G 1.111 0.00E+00 4.01EPo 6 142493.550 4.5 1s2.10g 2G 1.111 0.00E+00 4.01EVE 7 -143255.100 4.5 S(2G)2G 7 1.111 0.00E+00 4.01EVE 8 -143834.600 4.5 T(2G)2G 8 1.111 0.00E+00 4.01EVE 1 -137924.700 5.5 U(2I)2I 1 0.923 0.00E+00 4.01EVE 2 -140024.300 5.5 V(2I)2I 2 0.923 0.00E+00 4.01EVE 3 -141463.700 5.5 W(2I)2I 3 0.923 0.00E+00 4.01EVE 4 -142493.400 5.5 X(2I)2I 4 0.923 0.00E+00 4.01EVE 5 -143255.200 5.5 Y(2I)2I 5 0.923 0.00E+00 4.01EVE 6 -143834.600 5.5 Z(2I)2I 6 0.923 0.00E+00 4.01EVE 1 -137924.700 6.5 U(2I)2I 1 1.077 0.00E+00 4.01EVE 2 -140024.300 6.5 V(2I)2I 2 1.077 0.00E+00 4.01EVE 3 -141463.700 6.5 W(2I)2I 3 1.077 0.00E+00 4.01EVE 4 -142493.400 6.5 X(2I)2I 4 1.077 0.00E+00 4.01EVE 5 -143255.200 6.5 Y(2I)2I 5 1.077 0.00E+00 4.01EVE 6 -143834.600 6.5 Z(2I)2I 6 1.077 0.00E+00