%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:

0 1
He 1.27481369 0.0002532 -0.01562892
W -0.92572198 0.00003758 0.00203829
C -0.93088719 -1.44811452 -1.48547605
C -0.93085361 1.48718882 -1.44649199
C -2.9023556 -0.00013867 0.01937376
C -0.90385428 -1.48753272 1.45011272
C -0.90367762 1.44855412 1.48918383
O -0.96231892 -2.25256029 -2.31168596
O -0.96228632 2.3133442 -2.25099342
O -4.0633053 -0.00028146 0.02936334
O -0.91996903 -2.31402536 2.25470699
O -0.91964984 2.25320038 2.31562743

-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


