%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
C 0.09703438 1.06567418 0.07000604
C -1.07656486 1.85315494 0.23350481
C -0.954884 3.23332088 0.16848989
C 0.30395992 3.8229623 -0.04656912
C 1.4614393 3.03678429 -0.19080514
C 1.37687912 1.65360276 -0.13126988
H -2.04270945 1.39140538 0.41071095
H -1.83520619 3.85534584 0.29922604
H 0.38598564 4.90543112 -0.08707749
H 2.42874927 3.50853675 -0.33479706
H 2.2672946 1.04086623 -0.23010339
Os -0.07626866 -0.91705853 -0.01118758
O 1.42545148 -1.50645759 0.53617992
O -1.43009741 -1.27415066 0.95926242
O -0.35148826 -1.30913388 -1.65390439

-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


