%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
S 1.44994788 -0.66105162 0.07443382
C 2.27012584 1.00382567 0.01160495
H 2.01819376 1.54282678 -0.90554396
H 2.00908908 1.61464042 0.8799008
H 3.34874244 0.82481982 0.02433129
Zn -0.66708836 -0.09902858 0.04028451
C -2.55988499 0.3674248 0.01213303
H -3.17605988 -0.52745177 0.1659731
H -2.79523201 1.08594003 0.80700219
H -2.83704576 0.81373546 -0.95079272

-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


