%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 -0.47120781 -0.00063223 -0.00008272
C 0.30140022 -1.18896183 0.01060844
C 1.70479621 -1.21247675 0.01080795
C 2.39119299 0.00006386 -0.000107
C 1.70422178 1.21227676 -0.01102474
C 0.3008466 1.18807452 -0.01081432
H -0.2126241 -2.15070492 0.0192663
H 2.25483769 -2.15129374 0.01922241
Cl 4.17967351 0.00050277 -0.00012475
H 2.25381242 2.15135723 -0.01944732
H -0.21368462 2.14954658 -0.01949568
Cu -2.41620839 0.00025803 -0.00008629
C -4.37673852 0.00360028 0.00003671
H -4.79595755 1.02770507 -0.01196653
H -4.79887901 -0.51766786 -0.88010682
H -4.79861241 -0.49675877 0.89236937

-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


