%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
1 1
C 3.250993 -0.000317 -0.032716
N 2.10129 -0.000657 0.047944
H 4.324242 0.000026 -0.112889
Nb -0.378969 0.000174 0.010785
N 0.061859 1.757917 0.809209
N -2.322169 -0.001055 0.260571
N -0.290207 0.002035 -1.946573
N 0.061808 -1.75893 0.806338
H -0.647527 2.459271 1.016968
H 0.962377 2.051148 1.180349
H -3.020923 -0.000578 -0.480608
H -2.783278 -0.002334 1.1722
H -0.203356 0.837822 -2.525701
H -0.203326 -0.832274 -2.527813
H -0.647283 -2.460811 1.013213
H 0.962754 -2.052675 1.175983

-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


