%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:

1 1
S 1.57297005 -0.18787532 -1.6282558
C 2.15208253 -1.43895554 -0.51060092
C 2.8241565 -0.87659029 0.52910875
C 2.86021254 0.56627587 0.48552536
C 2.21534563 1.09778321 -0.58712038
H 1.99678521 -2.48354837 -0.75037214
H 3.29689861 -1.46365926 1.30953332
H 3.36294216 1.17499457 1.22978378
H 2.11191513 2.13246239 -0.88964095
Zn -0.55243512 -0.1052012 -0.56607939
C -2.26579196 -0.03906574 0.34613167
H -2.76200097 -1.00640909 0.22412377
H -2.09148058 0.16838142 1.40599129
H -2.86769994 0.75619986 -0.10347724

-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


