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

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
1 1
Nb 0.144935 0.000174 2.481112
N 0.565339 0.000244 4.382261
N -1.81056 0.000905 2.475621
N 0.834331 1.73999 1.853145
N 0.833034 -1.740298 1.85357
H -0.103656 0.000133 5.151337
H 1.521311 -0.000576 4.745272
H -2.391961 0.83703 2.402111
H -2.392589 -0.834803 2.402337
H 1.127767 2.464031 2.510142
H 1.041073 2.046126 0.903725
H 1.039546 -2.046821 0.904225
H 1.126025 -2.464354 2.510751
H 0.2475 -0.000141 0.247398
H -0.487276 0.000125 0.110443

-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


