%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 -0.45187694 0.02045877 -0.10013894
C -0.00442569 -0.01101829 1.57666915
C 1.35738398 -0.0031626 1.73569163
C 2.05789693 0.02876095 0.48801837
C 1.21295786 0.04418658 -0.59164522
H -0.76745372 -0.03313663 2.34430731
H 1.84500391 -0.01995199 2.70474128
H 3.1391307 0.0394692 0.39931907
H 1.46990781 0.07054646 -1.64291754

-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


