5.02 2 lines saved 2 positive lines saved 59 even 59 odd levels 305930 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 5.02EVE 1 0.000 0.5 1s2.2s 2S 2.002 0.00E+00 5.02EVE 2 180201.920 0.5 1s2.3s 2S 2.002 0.00E+00 5.02EVE 3 237698.270 0.5 1s2.4s 2S 2.002 0.00E+00 5.02EVE 4 263159.780 0.5 1s2.5s 2S 2.002 0.00E+00 5.02ERz 5 276630.320 0.5 1s2.6s 2S 2.002 0.00E+00 5.02ERz 6 284609.860 0.5 1s2.7s 2S 2.002 0.00E+00 5.02ERz 7 289723.380 0.5 1s2.8s 2S 2.002 0.00E+00 5.02ERz 8 293195.660 0.5 1s2.9s 2S 2.002 0.00E+00 5.02EVE 9 -295659.500 0.5 9(2S)2S 9 2.002 0.00E+00 5.02EVE 10 -297475.500 0.5 A(2S)2S 10 2.002 0.00E+00 5.02EVE 11 -298849.900 0.5 B(2S)2S 11 2.002 0.00E+00 5.02EVE 1 196068.750 1.5 1s2.3d 2D 0.800 0.00E+00 5.02EVE 2 244141.630 1.5 1s2.4d 2D 0.800 0.00E+00 5.02EVE 3 266391.360 1.5 1s2.5d 2D 0.800 0.00E+00 5.02EPo 4 278476.470 1.5 1s2.6d 2D 0.800 0.00E+00 5.02EPo 5 285762.200 1.5 1s2.7d 2D 0.800 0.00E+00 5.02EPo 6 290490.400 1.5 1s2.8d 2D 0.800 0.00E+00 5.02EPo 7 293731.730 1.5 1s2.9d 2D 0.800 0.00E+00 5.02EPo 8 296050.060 1.5 1s2.10d 2D 0.800 0.00E+00 5.02EPo 9 297765.250 1.5 1s2.11d 2D 0.800 0.00E+00 5.02EVE 10 -299074.700 1.5 L(2D)2D 10 0.800 0.00E+00 5.02EVE 1 196071.670 2.5 1s2.3d 2D 1.200 2.70E-10 5.02EVE 2 244142.860 2.5 1s2.4d 2D 1.200 2.02E-11 5.02EVE 3 266391.990 2.5 1s2.5d 2D 1.200 2.71E-12 5.02EPo 4 278476.470 2.5 1s2.6d 2D 1.200 0.00E+00 5.02EPo 5 285762.200 2.5 1s2.7d 2D 1.200 0.00E+00 5.02EPo 6 290490.400 2.5 1s2.8d 2D 1.200 0.00E+00 5.02EPo 7 293731.730 2.5 1s2.9d 2D 1.200 0.00E+00 5.02EPo 8 296050.060 2.5 1s2.10d 2D 1.200 0.00E+00 5.02EPo 9 297765.250 2.5 1s2.11d 2D 1.200 0.00E+00 5.02EVE 10 -299074.700 2.5 L(2D)2D 10 1.200 0.00E+00 5.02EVE 1 266426.940 3.5 1s2.5g 2G 0.889 0.00E+00 5.02EPo 2 278497.080 3.5 1s2.6g 2G 0.889 0.00E+00 5.02EPo 3 285775.450 3.5 1s2.7g 2G 0.889 0.00E+00 5.02EPo 4 290499.390 3.5 1s2.8g 2G 0.889 0.00E+00 5.02EPo 5 293738.100 3.5 1s2.9g 2G 0.889 0.00E+00 5.02EPo 6 296054.730 3.5 1s2.10g 2G 0.889 0.00E+00 5.02EVE 7 -297779.700 3.5 S(2G)2G 7 0.889 0.00E+00 5.02EVE 8 -299083.600 3.5 T(2G)2G 8 0.889 0.00E+00 5.02EVE 1 266426.940 4.5 1s2.5g 2G 1.111 0.00E+00 5.02EPo 2 278497.080 4.5 1s2.6g 2G 1.111 0.00E+00 5.02EPo 3 285775.450 4.5 1s2.7g 2G 1.111 0.00E+00 5.02EPo 4 290499.390 4.5 1s2.8g 2G 1.111 0.00E+00 5.02EPo 5 293738.100 4.5 1s2.9g 2G 1.111 0.00E+00 5.02EPo 6 296054.730 4.5 1s2.10g 2G 1.111 0.00E+00 5.02EVE 7 -297779.700 4.5 S(2G)2G 7 1.111 0.00E+00 5.02EVE 8 -299083.600 4.5 T(2G)2G 8 1.111 0.00E+00 5.02EVE 1 -285786.400 5.5 U(2I)2I 1 0.923 0.00E+00 5.02EVE 2 -290510.400 5.5 V(2I)2I 2 0.923 0.00E+00 5.02EVE 3 -293749.200 5.5 W(2I)2I 3 0.923 0.00E+00 5.02EVE 4 -296065.900 5.5 X(2I)2I 4 0.923 0.00E+00 5.02EVE 5 -297780.100 5.5 Y(2I)2I 5 0.923 0.00E+00 5.02EVE 6 -299083.700 5.5 Z(2I)2I 6 0.923 0.00E+00 5.02EVE 1 -285786.400 6.5 U(2I)2I 1 1.077 0.00E+00 5.02EVE 2 -290510.400 6.5 V(2I)2I 2 1.077 0.00E+00 5.02EVE 3 -293749.200 6.5 W(2I)2I 3 1.077 0.00E+00 5.02EVE 4 -296065.900 6.5 X(2I)2I 4 1.077 0.00E+00 5.02EVE 5 -297780.100 6.5 Y(2I)2I 5 1.077 0.00E+00 5.02EVE 6 -299083.700 6.5 Z(2I)2I 6 1.077 0.00E+00