%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:
        
1 1
C 1.068485 -0.000013 -0.076742
C 1.75817 -1.244218 -0.054836
C 3.14339 -1.225372 0.013736
C 3.83297 0.000027 0.052356
C 3.143345 1.225411 0.013766
C 1.758129 1.244209 -0.054845
H 1.219799 -2.185737 -0.096643
H 3.691986 -2.162355 0.02266
H 4.91835 0.00005 0.097723
H 3.691915 2.162408 0.022708
H 1.219743 2.185722 -0.09665
Os -0.922088 -0.000011 -0.002766
O -1.384702 1.447615 -0.772529
O -1.384611 -1.448438 -0.771057
O -1.341938 0.000882 1.656063

-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


