%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 1.17402975 0.02096996 0.00024616
C 1.94354358 1.20201165 -0.00143662
C 3.34823948 1.20752089 -0.00155704
C 4.0121361 -0.01740666 0.00022739
C 3.31502653 -1.22341681 0.00172307
C 1.91054 -1.18125745 0.00155622
H 1.43032921 2.16350343 -0.00376857
H 3.91287148 2.13818655 -0.0031643
Cl 5.81330117 -0.04082804 0.00022712
H 3.85419791 -2.16915826 0.00272021
H 1.35959397 -2.12155792 0.00178676
Zn -0.87054244 0.02182986 0.00072473
Cl -1.74104573 1.10203873 1.94579225
Cl -1.73380299 1.18128986 -1.90224475
Cl -1.56488063 -2.28319081 -0.04232771

-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


