%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 1.08154459 -0.1653576 0.00081861
N 1.70365691 -1.37932377 0.0016332
C 3.09154522 -1.29531084 0.00382881
C 3.37900023 0.03194461 0.0042395
N 2.15013038 0.68263598 0.00224097
H 3.73559433 -2.16132875 0.00484887
H 4.32343274 0.55426619 0.0057436
H 1.20123068 -2.25575662 0.00085794
H 2.05498927 1.6883802 0.00193279
K -1.73223765 0.44413077 -0.00198993

-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


