%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 1.01106648 -0.33919512 0.00210673
N 1.73615188 -1.49234394 0.00212004
C 3.10717904 -1.27083054 0.00307517
C 3.26628719 0.07970509 0.00355825
N 1.98430967 0.61384243 0.00291131
H 3.83246929 -2.06970184 0.00329572
H 4.15741022 0.68809538 0.00426592
H 1.29026556 -2.39875243 0.00151064
H 1.76127071 1.59905477 0.00305778
Cu -0.90120766 -0.11458268 0.00086914
C -2.81888148 0.10913374 -0.0004428
H -3.34814622 -0.85829638 0.00013706
H -3.17049975 0.66532667 0.88440241
H -3.16947045 0.66370233 -0.88671415

-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


