%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
C 0.00126702 0.73857555 0.00025515
C -1.17682411 -0.03374994 -0.20843408
C -1.19978251 -1.42620624 -0.21251757
C -0.00025876 -2.12383404 -0.00004609
C 1.19999522 -1.42750991 0.21256841
C 1.17852806 -0.03501963 0.20877843
H -2.11869291 0.48758836 -0.37526986
H -2.11733474 -1.98234808 -0.37505753
N -0.00101318 -3.5709594 -0.00019381
H 2.1169604 -1.98465467 0.37499235
H 2.12097968 0.4852294 0.37572719
O 1.07190581 -4.17155237 0.189872
O -1.07455707 -4.17039183 -0.19038114
Cu 0.00053022 2.67326235 0.00016453
C -0.00190153 4.63077429 -0.00019255
H -1.00896405 5.0513634 -0.17899422
H 0.34731876 5.05040865 0.9616378
H 0.65711768 5.05054509 -0.78290901

-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


