%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 0.95740851 -0.29222671 0.00192228
N 1.64823433 -1.46345229 0.00235456
C 3.02304142 -1.27535888 0.00326842
C 3.21609145 0.07089076 0.00345489
N 1.94943922 0.63768689 0.00261387
H 3.72700281 -2.09285887 0.00372622
H 4.12130294 0.65778753 0.00408272
H 1.18273306 -2.36037591 0.0019771
H 1.7547554 1.62928547 0.00254436
Cu -0.93123291 -0.02143708 0.000582
C -2.78360301 0.24404175 -0.00077094
N -3.94243742 0.41029692 -0.00160176

-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


