%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:
        
2 1
C -1.246511 -0.000155 -0.034043
N -2.071607 1.087589 -0.007372
C -3.368817 0.700284 0.028195
C -3.368999 -0.700038 0.028149
N -2.07188 -1.087655 -0.007376
H -4.19535 1.40293 0.037848
H -4.195695 -1.402497 0.037726
H -1.763432 2.062053 -0.026223
H -1.763912 -2.062181 -0.026163
Os 0.781472 -0.000021 -0.005372
O 1.206335 1.44485 -0.791531
O 1.266868 0.001453 1.625
O 1.206406 -1.446149 -0.789154

-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


