%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 -0.44842192 0.07697245 -0.00020023
C 0.21660582 1.32446846 -0.00002847
C 1.6054313 1.42443034 0.00007316
C 2.39114007 0.26139688 0.00002393
C 1.76951582 -0.9940778 -0.00013467
C 0.3695191 -1.0666507 -0.0002616
H -0.36139703 2.24726852 0.00004163
H 2.10575335 2.38897891 0.00021066
O 3.74466647 0.45916045 0.00014934
H 2.35148716 -1.90956392 -0.00017178
H -0.08268374 -2.057434 -0.0003876
C 4.59756473 -0.67777411 -0.00006691
H 4.44364894 -1.29360276 -0.89683475
H 5.61627697 -0.28533327 -0.00000937
H 4.44368418 -1.29393053 0.89648221
Zn -2.37866308 -0.05503319 0.00035449
C -4.32487866 -0.19420322 0.00061627
H -4.78365044 0.66745731 -0.50295653
H -4.65708457 -1.10099403 -0.52279222
H -4.72068287 -0.23422374 1.02427939

-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


