%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
N 1.17970871 -0.0001185 -0.0000001
H 1.56031633 0.95281993 -0.0000001
H 1.58119797 -0.46788122 -0.82034192
H 1.58119797 -0.46788122 0.82034172
Zn -0.85228676 -0.03052644 -0.0000001
C -2.78188845 -0.05984967 -0.0000001
H -3.12183632 -1.10022367 -0.0000001
H -3.14521482 0.45226894 0.89644969
H -3.14521482 0.45226894 -0.89644988

-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


