%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
Cl 0.83775269 -0.00287046 -0.82091784
Ag -1.07603338 0.00135264 0.50235388
C -2.7918029 0.00513879 1.68870888
N -3.49055424 -1.05393807 2.17402845
C -4.58733 -0.67059004 2.93460743
C -4.58570737 0.68882821 2.93260147
N -3.48775166 1.06730984 2.1712873
H -5.25532864 -1.37911186 3.39902839
H -5.25197432 1.40031022 3.39498069
H -3.21967182 -2.00915369 1.98591598
H -3.21435436 2.02131679 1.98069526

-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


