%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 -1.52977979 0.97244383 -0.5120615
C -2.38592676 0.91946761 1.03411085
C -3.5008805 0.15993155 0.92662999
C -3.65951585 -0.45974163 -0.37835559
C -2.66070305 -0.16611183 -1.24398041
H -1.98950974 1.47773789 1.87008736
H -4.20185521 0.02025173 1.74260842
H -4.49234138 -1.10594578 -0.63442795
H -2.49472849 -0.49900173 -2.2582947
Au 0.63364096 -0.14455947 -0.13385018
Cl 2.70064904 -1.1316391 0.2455393
Cl 0.30921981 -1.48069825 -2.0468944
Cl 0.92840197 1.29010418 1.71966481

-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


