%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 1.48758487 -0.01722848 -0.25402389
C 1.71818755 1.81104566 -0.10562477
H 1.15180441 2.34109369 -0.87785663
H 1.40218101 2.16683097 0.88009098
H 2.7848594 2.02174103 -0.23666559
Ga -0.77873657 -0.06990255 0.06350877
Cl -1.31489072 0.84954394 2.0760438
Cl -1.82505168 1.20461132 -1.50620837
Cl -1.53668827 -2.19016458 -0.03875838

-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


