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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
C 0.689314 0.000077 -0.000279
N 1.524755 1.064865 -0.008735
C 2.853428 0.681065 -0.005315
C 2.853141 -0.681826 0.005202
N 1.52431 -1.065071 0.007651
H 3.666022 1.391587 -0.010879
H 3.665435 -1.392691 0.010918
H 1.210305 2.02795 -0.016942
H 1.209472 -2.028037 0.015577
Zn -1.307434 -0.000077 -0.000145
C -3.234545 -0.001886 0.000065
H -3.61369 1.026455 -0.010123
H -3.612823 -0.523982 -0.8862
H -3.612909 -0.506625 0.896246

-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


