%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 1.10096135 -0.05438021 -0.0034271
C 1.80174338 -1.19574944 -0.00298215
C 3.19843667 -1.20981965 -0.00012101
C 3.88029294 0.00897847 0.00239603
C 3.14331012 1.19627222 0.00176608
C 1.75030286 1.11803474 -0.0012384
H 1.20234483 -2.10257936 -0.00539052
H 3.73142871 -2.15654415 0.00006509
H 4.96784972 0.03401937 0.00468905
H 3.63276308 2.1659931 0.00348565
H 1.11583132 1.99929732 -0.00288557
Zn -1.09132654 0.0081987 -0.00017401
Cl -1.36549627 1.17657603 1.93709445
Cl -1.36520344 1.24115015 -1.8975992
Cl -1.52760031 -2.22891229 -0.03517347

-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


