20 Ca J=0 E=-6.79529437D+02 n 1 2 2 3 3 3 4 4 4 4 4 1s c 1.195187 -0.141675 0.002428 -0.085376 0.041982 -0.023081 0.008867 -0.028595 0.009198 -0.008943 0.004080 z 17.700006 24.744183 7.253725 21.126447 3.631601 2.630220 8.807900 6.035327 1.590348 1.069085 0.781379 2s c -0.35643 -0.01166 1.15062 -0.02715 -0.00036 0.00717 -0.08228 0.02766 0.00585 0.00221 0.00065 z 17.66865 24.52835 7.26287 21.35473 3.61852 2.61256 8.78393 6.01156 1.57700 1.05660 0.75840 n 2 2 2 2 3 3 3 2p c 0.00326 0.35085 0.40455 0.01155 0.29489 -0.00077 0.00064 z 28.89238 11.91094 6.09665 2.56054 9.44450 2.17829 1.32953 n 1 2 2 3 3 3 4 4 4 4 4 3s c -0.12801 -0.00739 0.48542 -0.01479 -0.63815 -0.43236 0.03470 -0.06742 -0.00937 -0.01093 -0.00724 z 17.66713 24.52947 7.25374 21.34943 3.62339 2.61735 8.78097 6.01127 1.57683 1.05650 0.75838 n 2 2 2 2 3 3 3 3p c -0.00098 -0.08128 -0.43213 0.87671 -0.01941 0.31156 0.02016 z 28.89227 11.91197 6.09808 2.56183 9.44377 2.17765 1.32956 n 1 2 2 3 3 3 4 4 4 4 4 4s c 0.03384 0.00203 -0.13018 0.00403 0.19644 0.12079 -0.01257 0.02340 -0.33389 -0.52198 -0.25574 z 17.66701 24.52949 7.25259 21.34933 3.61647 2.61518 8.78077 6.01103 1.58233 1.05830 0.76020 ------------------------------------------------------------------------------------ 20 Ca2+ 1s n 1 2 2 3 3 3 4 4 4 4 4 c 1.20017000 -0.14632700 -0.07488300 -0.06098600 0.07936500 0.01784000 0.13394300 -0.15306100 -0.03402100 -0.00314400 0.02670400 z 17.69667000 24.82945900 7.25541800 21.06426200 3.63046500 2.63607100 8.82936300 6.04485100 1.59430100 1.07442000 0.78818600 2s n 1 2 2 3 3 3 4 4 4 4 4 c -0.35575200 -0.01255100 1.16636800 -0.02785900 -0.01721100 -0.01087900 -0.07945700 0.02109000 0.00178800 0.00110400 0.00031800 z 17.66892800 24.52809800 7.26425200 21.35583900 3.61837600 2.61252900 8.78434400 6.01182700 1.57699200 1.05659800 0.75840000 3s n 1 2 2 3 3 3 4 4 4 4 4 c -0.11476900 -0.00712800 0.44732400 -0.01411200 -0.64088800 -0.43736400 0.03723900 -0.06814400 -0.00032700 0.00143600 0.00066400 z 17.66698700 24.52946500 7.25308800 21.34929700 3.62214800 2.61504200 8.78090000 6.01110000 1.57693800 1.05658500 0.75838700 2p n 2 2 2 2 3 3 3 c 0.00329700 0.35470300 0.42023000 -0.02262200 0.29626600 -0.02057200 0.00611900 z 28.89306400 11.90727000 6.09515700 2.56043800 9.44260600 2.17878600 1.32961600 3p n 2 2 2 2 3 3 3 c -0.00088900 -0.06722900 -0.41428100 0.88094000 -0.00866600 0.32070600 -0.00038200 z 28.89227900 11.91234100 6.10128300 2.55895100 9.44373800 2.17481000 1.33013600