%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:
        
0 1
C 1.986994 -0.000153 0.047068
N 3.155157 -0.000231 0.105567
Nb -0.272296 0.000083 -0.030144
N -2.079779 0.000035 0.845658
N -0.666334 -0.000382 -1.958671
N 0.144155 1.883891 0.54767
N 0.143875 -1.883601 0.548133
H -2.947444 0.000027 0.312674
H -2.292356 -0.000214 1.841516
H -0.679652 0.836191 -2.538457
H -0.679735 -0.837071 -2.538265
H -0.584593 2.505938 0.889617
H 1.065855 2.264624 0.738672
H 1.065536 -2.264468 0.739056
H -0.584944 -2.505487 0.890204

-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


