%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
N -1.085215 -0.000076 -0.07642
C -1.761759 1.210427 -0.050084
C -3.139746 1.218264 0.011301
C -3.844625 0.000049 0.049136
C -3.139841 -1.218233 0.011259
C -1.761867 -1.210535 -0.050107
H -1.173948 2.122822 -0.08925
H -3.655868 2.175247 0.019303
H -4.931527 0.000071 0.096898
H -3.656069 -2.175159 0.019259
H -1.174073 -2.122938 -0.089238
Os 0.919588 -0.000007 0.00242
O 1.441087 1.408138 -0.779887
O 1.390899 0.001039 1.628652
O 1.441302 -1.40903 -0.778135

-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


