%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 -0.14488542 -0.00454495 0.11624747
C 0.06417743 -0.01674608 1.46919488
N 1.34792943 0.00108767 1.76120104
C 2.00034792 0.02736868 0.5463625
C 1.09663795 0.02417817 -0.49010596
H -0.74901596 -0.03956032 2.1823733
H -1.0399249 -0.01133626 -0.35263393
H 3.08023106 0.04626811 0.48940092
H 1.21346315 0.03917492 -1.56374194

-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


