%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 -0.971224 0.001255 -0.004148
N -1.839137 1.062883 -0.042849
C -3.173975 0.678672 -0.0221
C -3.172594 -0.679952 0.031561
N -1.836973 -1.061818 0.041101
H -3.990292 1.384019 -0.046713
H -3.987472 -1.386702 0.062791
H -1.501192 2.012692 -0.081661
H -1.496843 -2.010952 0.077288
Ni 0.884607 0.001426 -0.006041
P 2.980321 -0.000486 0.005195
H 3.719383 1.18665 0.273646
H 3.705799 -0.829991 0.906478
H 3.715781 -0.369814 -1.156359

-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


