%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 1.10950371 0.00046293 0.00006692
C 1.55529383 -0.19714228 -1.38753295
C 1.55453686 1.3009866 0.52335076
C 1.55215943 -1.10321801 0.86547274
H 2.65850593 -0.20776392 -1.45317214
H 1.15281196 0.61102109 -2.00359812
H 1.15067362 -1.14389873 -1.75440063
H 2.65771841 1.36343925 0.54771807
H 1.15153741 1.430414 1.53105862
H 1.15001202 2.09209664 -0.11318882
H 2.6552043 -1.1566884 0.90987538
H 1.14856937 -2.03988541 0.47258131
H 1.1452832 -0.94696671 1.86779236
Zn -1.09215098 -0.00038415 -0.00020195
Cl -1.4499859 0.31399092 2.23383194
Cl -1.45218701 1.77652146 -1.38889725
Cl -1.44775786 -2.09244856 -0.8461752

-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


