%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
H 0.000372 -0.363544 -1.851154
Nb 0.000071 -0.034824 -0.101669
N -0.000436 1.586989 1.094986
N 0.00002 -1.721399 0.956286
N -1.915912 0.14123 -0.719805
N 1.916065 0.14168 -0.719453
H -0.000801 1.502712 2.109633
H -0.001086 2.571134 0.834959
H -0.836458 -2.25692 1.171418
H 0.836571 -2.256753 1.171567
H -2.595215 0.628682 -0.137171
H -2.303476 -0.033592 -1.639634
H 2.304272 -0.032677 -1.639083
H 2.594773 0.629232 -0.136186

-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


