%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
S 1.4420922 -0.65053982 -0.15611273
C 2.38070332 0.94309374 0.04866101
H 2.17213447 1.63873519 -0.76521901
H 2.18647571 1.40098165 1.01945624
H 3.43141756 0.64492059 0.00052827
Zn -0.60451847 -0.06046147 -0.06134459
N -2.58705426 0.29358202 0.0034353
H -3.09773659 -0.45683542 0.48284884
H -2.82125623 1.16097113 0.49926693
H -3.00334471 0.37392238 -0.93114525

-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


