%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:

2 1
P -1.75504246 0.0001247 -0.00028234
C -2.19997083 -1.27059157 -1.21112173
C -2.19926035 -0.41467787 1.7057733
C -2.1950149 1.68590328 -0.49374543
H -1.8321163 -2.25568101 -0.90338484
H -1.82960884 -1.01157316 -2.20908521
H -3.30253769 -1.29768743 -1.23809506
H -3.30176516 -0.42510983 1.74354405
H -1.83106379 0.34269827 2.40667425
H -1.82811109 -1.40899015 1.97736394
H -3.29733908 1.72652315 -0.50578105
H -1.8241297 1.91369792 -1.49919408
H -1.82293267 2.41692236 0.23246274
Os 0.80306924 0.00037517 0.00000262
O 1.07453926 -1.58113409 0.55542182
O 1.06962534 0.3096331 -1.64821084
O 1.07048001 1.27474017 1.09005786

-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


