%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
O 1.10814584 0.0696933 0.11336146
C 1.89698773 1.13755315 -0.30977437
C 3.19494516 0.83375479 -0.0802801
C 3.23304498 -0.48160479 0.50937457
C 1.95622992 -0.91543439 0.61515335
H 1.36097973 1.96488957 -0.74375821
H 4.03892934 1.47198748 -0.30254523
H 4.11175308 -1.03288586 0.81436535
H 1.46706643 -1.79449928 0.99999064
Au -1.12434576 -0.0421572 0.00588829
Cl -3.40167914 -0.1563525 -0.10355221
Cl -1.09872457 -1.38647357 1.92393107
Cl -1.05041333 1.3070605 -1.9073685

-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


