%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:

-2 1
C 1.17816631 0.01953141 -0.00023017
C 1.94716722 1.20310935 -0.00123531
C 3.35022226 1.19719312 -0.00092028
C 4.04749267 -0.01911276 0.00050703
C 3.31725287 -1.21567352 0.00130022
C 1.9140866 -1.18514866 0.00081366
H 1.42826053 2.16212617 -0.0031177
H 3.90331062 2.13976328 -0.00193013
H 5.13892712 -0.03350506 0.0007524
H 3.84478541 -2.17285476 0.00208806
H 1.35834454 -2.12295608 0.00062489
Zn -0.86301949 0.0220205 0.00044442
Cl -1.75927479 1.10467752 1.94583958
Cl -1.75445803 1.1806756 -1.90349726
Cl -1.59467243 -2.27931113 -0.04093448

-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


