%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 -1.61850059 0.12119549 -0.91596974
C -2.41312439 1.29601746 0.1437204
C -3.26180224 0.66576765 0.99348516
C -3.25465415 -0.77532186 0.86232084
C -2.40055423 -1.23341337 -0.08648289
H -2.2330537 2.35343104 0.00055813
H -3.89442 1.19757007 1.69621416
H -3.88136233 -1.43145666 1.45693914
H -2.21018611 -2.24577645 -0.41803361
Au 0.66622 0.06039596 -0.12673231
P 2.87289898 0.00792837 0.56669888
H 3.26424441 -1.14509215 1.26802541
H 3.83569975 0.08697564 -0.45354351
H 3.26318697 1.04035941 1.43631597

-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


