%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
S -1.85356538 0.23643276 0.27720041
C -2.35583692 -1.53555725 0.08918697
H -1.85565795 -2.14359298 0.84851164
H -3.43829801 -1.52859969 0.25423812
H -2.12408603 -1.87958418 -0.92294096
Os 0.36835243 0.11427791 -0.0776367
O 0.90547831 1.72017821 0.08040175
O 1.01089071 -0.95689003 1.08700225
O 0.59866184 -0.55131076 -1.63346347

-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


