%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:

0 1
C 0.19334687 0.65803917 0.00026939
C -1.15513069 0.28893657 -0.18687408
C -1.56226494 -1.04636973 -0.1893304
C -0.59661285 -2.03562655 0.00021381
C 0.75037711 -1.72458694 0.18979036
C 1.12890305 -0.38089241 0.18739199
H -1.91349111 1.05471794 -0.33516174
H -2.59960045 -1.32578845 -0.33361025
N -1.01166654 -3.45086047 0.00017862
H 1.4725044 -2.51999433 0.33405198
H 2.18073453 -0.14599672 0.33571267
O -0.14054272 -4.3068272 0.16918206
O -2.20709847 -3.70071595 -0.16894111
Zn 0.74169162 2.52848549 0.00018068
C 1.2882968 4.39600033 -0.00006051
H 0.42180676 5.05932666 -0.12142506
H 1.78557185 4.66140319 0.9420414
H 1.98731277 4.60221041 -0.8211098

-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


