%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
N 1.01880309 -0.00753856 0.00063409
C 1.49625605 -0.00153935 -1.39939687
C 1.48385966 1.20943051 0.70115389
C 1.5102213 -1.21508622 0.69947805
H 2.5979547 0.00967587 -1.44219589
H 1.10455515 0.88157254 -1.91011459
H 1.12272533 -0.89189224 -1.91117177
H 2.58519167 1.25816992 0.72238598
H 1.1014987 1.20430537 1.72485443
H 1.09181496 2.09191 0.18956348
H 2.61233328 -1.2402276 0.71873062
H 1.13603699 -2.10500576 0.18744739
H 1.1296139 -1.21903084 1.72381991
Cu -1.00016581 -0.02960559 0.00137559
C -2.90849131 -0.05034291 -0.00033997
H -3.29907827 -1.07996412 0.0070114
H -3.31654088 0.46466891 0.88343235
H -3.31466073 0.451379 -0.89259318

-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


