%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
C 1.06030893 -0.00000003 -0.00000002
C 1.83125891 1.18641529 -0.00000003
C 3.23593804 1.21108087 -0.00000003
C 3.92497896 0.0000 -0.00000002
C 3.23593807 -1.21108089 -0.00000001
C 1.83125894 -1.18641533 -0.00000001
H 1.33624738 2.16159818 -0.00000004
H 3.78554911 2.1496532 -0.00000003
Cl 5.69974808 0.00000002 -0.00000002
H 3.78554916 -2.1496532 -0.0000
H 1.33624743 -2.16159824 0.0000
K -1.69660377 -0.00000006 -0.00000002

-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


