3.00 0 lines saved 0 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 27205.713 0.5 1s2.3s 2S 2.002 0.00E+00 3.00EVE 3 35011.543 0.5 1s2.4s 2S 2.002 0.00E+00 3.00EVE 4 38298.928 0.5 1s2.5s 2S 2.002 0.00E+00 3.00EVE 5 39987.027 0.5 1s2.6s 2S 2.002 0.00E+00 3.00EVE 6 40967.430 0.5 1s2.7s 2S 2.002 0.00E+00 3.00EVE 7 41586.870 0.5 1s2.8s 2S 2.002 0.00E+00 3.00ERz 8 42002.960 0.5 1s2.9s 2S 2.002 0.00E+00 3.00ERz 9 42295.970 0.5 1s2.10s 2S 2.002 0.00E+00 3.00ERz 10 42510.020 0.5 1s2.11s 2S 2.002 0.00E+00 3.00ERz 11 42671.130 0.5 1s2.12s 2S 2.002 0.00E+00 3.00EVE 1 31282.606 1.5 1s2.3d 2D 0.800 0.00E+00 3.00EVE 2 36622.822 1.5 1s2.4d 2D 0.800 0.00E+00 3.00EVE 3 39094.310 1.5 1s2.5d 2D 0.800 0.00E+00 3.00EVE 4 40436.633 1.5 1s2.6d 2D 0.800 0.00E+00 3.00EVE 5 41246.030 1.5 1s2.7d 2D 0.800 0.00E+00 3.00EVE 6 41771.230 1.5 1s2.8d 2D 0.800 0.00E+00 3.00EVE 7 42131.330 1.5 1s2.9d 2D 0.800 0.00E+00 3.00EPo 8 42388.850 1.5 1s2.10d 2D 0.800 0.00E+00 3.00EPo 9 42579.390 1.5 1s2.11d 2D 0.800 0.00E+00 3.00EPo 10 42724.310 1.5 1s2.12d 2D 0.800 0.00E+00 3.00EVE 1 31282.642 2.5 1s2.3d 2D 1.200 5.06E-16 3.00EVE 2 36622.837 2.5 1s2.4d 2D 1.200 3.66E-17 3.00EVE 3 39094.318 2.5 1s2.5d 2D 1.200 5.55E-18 3.00EVE 4 40436.633 2.5 1s2.6d 2D 1.200 0.00E+00 3.00EVE 5 41246.030 2.5 1s2.7d 2D 1.200 0.00E+00 3.00EVE 6 41771.230 2.5 1s2.8d 2D 1.200 0.00E+00 3.00EVE 7 42131.330 2.5 1s2.9d 2D 1.200 0.00E+00 3.00EPo 8 42388.850 2.5 1s2.10d 2D 1.200 0.00E+00 3.00EPo 9 42579.390 2.5 1s2.11d 2D 1.200 0.00E+00 3.00EPo 10 42724.310 2.5 1s2.12d 2D 1.200 0.00E+00 3.00EVE 1 39097.403 3.5 1s2.5g 2G 0.889 0.00E+00 3.00EPo 2 40438.460 3.5 1s2.6g 2G 0.889 0.00E+00 3.00EPo 3 41247.140 3.5 1s2.7g 2G 0.889 0.00E+00 3.00EPo 4 41772.010 3.5 1s2.8g 2G 0.889 0.00E+00 3.00EPo 5 42132.850 3.5 1s2.9g 2G 0.889 0.00E+00 3.00EPo 6 42389.250 3.5 1s2.10g 2G 0.889 0.00E+00 3.00EPo 7 42579.690 3.5 1s2.11g 2G 0.889 0.00E+00 3.00EPo 8 42724.550 3.5 1s2.12g 2G 0.889 0.00E+00 3.00EVE 1 39097.403 4.5 1s2.5g 2G 1.111 0.00E+00 3.00EPo 2 40438.460 4.5 1s2.6g 2G 1.111 0.00E+00 3.00EPo 3 41247.140 4.5 1s2.7g 2G 1.111 0.00E+00 3.00EPo 4 41772.010 4.5 1s2.8g 2G 1.111 0.00E+00 3.00EPo 5 42132.850 4.5 1s2.9g 2G 1.111 0.00E+00 3.00EPo 6 42389.250 4.5 1s2.10g 2G 1.111 0.00E+00 3.00EPo 7 42579.690 4.5 1s2.11g 2G 1.111 0.00E+00 3.00EPo 8 42724.550 4.5 1s2.12g 2G 1.111 0.00E+00 3.00EPo 1 41247.140 5.5 1s2.7i 2I 0.923 0.00E+00 3.00EPo 2 41772.010 5.5 1s2.8i 2I 0.923 0.00E+00 3.00EPo 3 42132.850 5.5 1s2.9i 2I 0.923 0.00E+00 3.00EPo 4 42389.250 5.5 1s2.10i 2I 0.923 0.00E+00 3.00EPo 5 42579.690 5.5 1s2.11i 2I 0.923 0.00E+00 3.00EPo 6 42724.550 5.5 1s2.12i 2I 0.923 0.00E+00 3.00EPo 1 41247.140 6.5 1s2.7i 2I 1.077 0.00E+00 3.00EPo 2 41772.010 6.5 1s2.8i 2I 1.077 0.00E+00 3.00EPo 3 42132.850 6.5 1s2.9i 2I 1.077 0.00E+00 3.00EPo 4 42389.250 6.5 1s2.10i 2I 1.077 0.00E+00 3.00EPo 5 42579.690 6.5 1s2.11i 2I 1.077 0.00E+00 3.00EPo 6 42724.550 6.5 1s2.12i 2I 1.077 0.00E+00