%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
C 1.051956 -0.015432 0.
C 1.777527 1.193595 0.
C 3.176887 1.209492 0.
C 3.888978 0.005801 0.
C 3.195024 -1.208421 0.
C 1.795574 -1.213477 0.
H 1.246427 2.144372 0.
H 3.710326 2.157688 0.
H 4.976435 0.013951 0.
H 3.742618 -2.148515 0.
H 1.278788 -2.172113 0.
Zn -0.888333 -0.03095 0.
C -2.838948 -0.047978 0.
H -3.224869 -1.076307 0.
H -3.239799 0.459585 0.887539
H -3.239799 0.459585 -0.887539

-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


