%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 -0.00091424 0.38308936 -0.00031934
C 1.18760976 1.15841938 -0.00019518
C 1.19719801 2.5609538 -0.00005626
C -0.0092263 3.27281463 0.00009868
C -1.21156181 2.55405784 0.00016551
C -1.19391167 1.1516002 0.00000293
H 2.14853703 0.64114989 -0.00032888
H 2.14555306 3.10188309 -0.00006789
H -0.01234089 4.36278683 0.00019943
H -2.16299857 3.08955296 0.00034528
H -2.15184811 0.6288268 0.00004935
Cu 0.00372233 -1.56264503 -0.0007627
C 0.00773797 -3.52607882 0.00017621
H -0.86912934 -3.94945372 0.52673032
H -0.00806979 -3.94743719 -1.02329496
H 0.90330779 -3.94562583 0.49762284

-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


