%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 0.99117335 -0.03190198 -0.00000006
C 1.68941808 -1.18756526 -0.00000006
H 2.77918039 -1.14522906 -0.00000006
H 1.22791149 -2.17171526 -0.00000006
H 1.44546983 0.96296505 -0.00000006
Os -1.02106418 -0.00141617 -0.00000006
O -1.47833769 -1.63714858 -0.00000006
O -1.45220604 0.84985504 1.4090671
O -1.45220604 0.84985504 -1.40906722

-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


