%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
C -0.00196229 -0.09747444 0.00572948
C -1.17587442 0.70132101 -0.02148863
C -1.17034988 2.1049853 -0.02560792
C 0.05574831 2.76711769 -0.00175731
C 1.25423418 2.05626153 0.025776
C 1.20323315 0.65355907 0.02891978
H -2.14655001 0.20633855 -0.0405078
H -2.0978001 2.67394301 -0.04698166
Cl 0.09189204 4.5577441 -0.00655953
H 2.20382207 2.58755948 0.04416376
H 2.15319816 0.11996262 0.0506247
Ni -0.04048193 -2.0219624 0.00542179
P -0.08501177 -4.06827646 -0.00377388
H 1.07198308 -4.87717622 -0.2847504
H -0.45237346 -4.84444781 1.15101205
H -0.93351014 -4.82387203 -0.88688713

-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


