%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
F 1.952899 -0.000192 -0.07948
Nb -0.009336 -0.000088 -0.042752
N -1.893251 0.002001 0.687852
N -0.509998 -0.003977 -1.963516
N 0.290764 1.831295 0.739403
N 0.28999 -1.828914 0.745562
H -2.714313 -0.000239 0.087775
H -2.183488 0.004844 1.663243
H -0.586156 0.830045 -2.541624
H -0.585866 -0.83947 -2.539466
H -0.414076 2.394989 1.203165
H 1.232089 2.151262 0.955396
H 1.231098 -2.148883 0.962522
H -0.415134 -2.390047 1.212015

-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


