PZ Mg 2.0 2 1 1 .T. 2 .F. ! ** 12.1 ! vbc pseudo .939330 .000000 1.000000 .000000 1.400180 .000000 .000000 8.228139 .000000 .000000 -.132914 .000000 .000000 .949685 .000000 .000000 3.366036 .000000 .000000 -.102075 .000000 .000000 3.152150 .000000 .000000 .955360 .000000 .000000 -2.239300 .000000 .000000 .047948 .055589 1.049785 ! core correction 12.00 -4.00000 .06250 171 2 Wavefunction 3s 0 2.00 .96600190E-04 .10283044E-03 .10946251E-03 .11652234E-03 .12403751E-03 .13203739E-03 .14055325E-03 .14961837E-03 .15926818E-03 .16954041E-03 .18047520E-03 .19211531E-03 .20450623E-03 .21769641E-03 .23173741E-03 .24668415E-03 .26259508E-03 .27953240E-03 .29756238E-03 .31675554E-03 .33718697E-03 .35893662E-03 .38208962E-03 .40673659E-03 .43297404E-03 .46090474E-03 .49063810E-03 .52229066E-03 .55598652E-03 .59185784E-03 .63004540E-03 .67069914E-03 .71397881E-03 .76005458E-03 .80910778E-03 .86133163E-03 .91693205E-03 .97612857E-03 .10391552E-02 .11062615E-02 .11777136E-02 .12537955E-02 .13348103E-02 .14210814E-02 .15129543E-02 .16107980E-02 .17150072E-02 .18260035E-02 .19442386E-02 .20701956E-02 .22043926E-02 .23473851E-02 .24997692E-02 .26621856E-02 .28353236E-02 .30199254E-02 .32167919E-02 .34267881E-02 .36508502E-02 .38899932E-02 .41453199E-02 .44180309E-02 .47094370E-02 .50209725E-02 .53542117E-02 .57108873E-02 .60929128E-02 .65024086E-02 .69417322E-02 .74135146E-02 .79207033E-02 .84666133E-02 .90549878E-02 .96900702E-02 .10376691E-01 .11120370E-01 .11927443E-01 .12805205E-01 .13762093E-01 .14807899E-01 .15954024E-01 .17213790E-01 .18602809E-01 .20139429E-01 .21845270E-01 .23745861E-01 .25871404E-01 .28257681E-01 .30947130E-01 .33990097E-01 .37446304E-01 .41386519E-01 .45894432E-01 .51068709E-01 .57025138E-01 .63898742E-01 .71845615E-01 .81044153E-01 .91695134E-01 .10401997E+00 .11825616E+00 .13464895E+00 .15343786E+00 .17483710E+00 .19900935E+00 .22603316E+00 .25586594E+00 .28830648E+00 .32296312E+00 .35923501E+00 .39631425E+00 .43321416E+00 .46882401E+00 .50198456E+00 .53157217E+00 .55657704E+00 .57616242E+00 .58969846E+00 .59677199E+00 .59717990E+00 .59091575E+00 .57815638E+00 .55925068E+00 .53470894E+00 .50518945E+00 .47147966E+00 .43447117E+00 .39512860E+00 .35445385E+00 .31344720E+00 .27306718E+00 .23419160E+00 .19758206E+00 .16385486E+00 .13346063E+00 .10667478E+00 .83599655E-01 .64178093E-01 .48216821E-01 .35416961E-01 .25408230E-01 .17783228E-01 .12128592E-01 .80505595E-02 .51935617E-02 .32515017E-02 .19723203E-02 .11570844E-02 .65516321E-03 .35713894E-03 .18716741E-03 .94083473E-04 .45238973E-04 .20748010E-04 .90483255E-05 .37399056E-05 .14599141E-05 .53620843E-06 .18455512E-06 .59267849E-07 .17675830E-07 .48709311E-08 .12336828E-08 .28650105E-09 .65809800E-10 .13721321E-10 .25806471E-11 .43491069E-12 .65213196E-13 .86349879E-14 .10016009E-14 Wavefunction 3p 1 .00 .19563653E-06 .22168525E-06 .25120233E-06 .28464957E-06 .32255026E-06 .36549739E-06 .41416288E-06 .46930813E-06 .53179591E-06 .60260388E-06 .68283987E-06 .77375921E-06 .87678440E-06 .99352733E-06 .11258145E-05 .12757157E-05 .14455762E-05 .16380537E-05 .18561595E-05 .21033062E-05 .23833607E-05 .27007048E-05 .30603036E-05 .34677836E-05 .39295204E-05 .44527387E-05 .50456252E-05 .57174567E-05 .64787457E-05 .73414044E-05 .83189314E-05 .94266232E-05 .10681814E-04 .12104145E-04 .13715875E-04 .15542229E-04 .17611789E-04 .19956945E-04 .22614406E-04 .25625766E-04 .29038166E-04 .32905027E-04 .37286889E-04 .42252361E-04 .47879200E-04 .54255529E-04 .61481221E-04 .69669472E-04 .78948578E-04 .89463955E-04 .10138043E-03 .11488484E-03 .13018898E-03 .14753293E-03 .16718891E-03 .18946550E-03 .21471263E-03 .24332706E-03 .27575878E-03 .31251812E-03 .35418394E-03 .40141294E-03 .45495024E-03 .51564136E-03 .58444602E-03 .66245373E-03 .75090167E-03 .85119506E-03 .96493048E-03 .10939225E-02 .12402342E-02 .14062124E-02 .15945275E-02 .18082200E-02 .20507535E-02 .23260763E-02 .26386921E-02 .29937421E-02 .33970996E-02 .38554806E-02 .43765718E-02 .49691790E-02 .56434012E-02 .64108330E-02 .72847999E-02 .82806345E-02 .94159969E-02 .10711248E-01 .12189885E-01 .13879041E-01 .15810061E-01 .18019164E-01 .20548180E-01 .23445379E-01 .26766362E-01 .30575009E-01 .34944431E-01 .39957850E-01 .45709324E-01 .52304129E-01 .59858611E-01 .68499203E-01 .78360264E-01 .89580313E-01 .10229623E+00 .11663500E+00 .13270283E+00 .15057162E+00 .17026343E+00 .19173415E+00 .21485842E+00 .23941826E+00 .26509837E+00 .29149026E+00 .31810634E+00 .34440264E+00 .36980693E+00 .39374743E+00 .41567732E+00 .43509217E+00 .45154000E+00 .46462638E+00 .47401782E+00 .47944612E+00 .48071515E+00 .47770933E+00 .47040296E+00 .45886868E+00 .44328383E+00 .42393354E+00 .40120917E+00 .37560113E+00 .34768535E+00 .31810322E+00 .28753579E+00 .25667384E+00 .22618607E+00 .19668834E+00 .16871668E+00 .14270656E+00 .11898011E+00 .97741842E-01 .79082589E-01 .62990416E-01 .49366593E-01 .38044577E-01 .28809905E-01 .21419270E-01 .15617459E-01 .11152912E-01 .78010138E-02 .53380509E-02 .35681681E-02 .23262719E-02 .14767496E-02 .91120743E-03 .54547584E-03 .31616473E-03 .17705454E-03 .95581333E-04 .49620892E-04 .24709645E-04 .11770390E-04 .53477491E-05 .23102333E-05 .94580763E-06 .36565565E-06 .13299529E-06 .45345823E-07 .14504328E-07 .45957730E-08