%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-2 1
O -0.032631 -0.026556 -2.343787
W -0.005842 -0.003908 -0.419558
C -0.914624 1.846242 -0.087024
C 1.845366 0.913544 -0.114699
C 0.024719 0.021951 1.649139
C -1.846305 -0.912027 -0.041244
C 0.91202 -1.845548 -0.068753
O -1.394211 2.831639 0.354358
O 2.831125 1.404198 0.313473
O 0.042592 0.037298 2.850077
O -2.821232 -1.391711 0.422758
O 1.403174 -2.821015 0.381889

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


