%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
C 1.15025316 -0.00007997 -0.01236633
O 2.30188977 0.00038813 -0.02168785
W -0.93346243 -0.00004441 0.00386919
C -0.94454585 -1.45408538 -1.48902399
C -0.94453054 1.49285987 -1.45027023
C -3.01728739 0.0003663 0.01976701
C -0.92236133 -1.49293124 1.4580027
C -0.92244015 1.45372609 1.49702172
O -0.95039444 -2.25747483 -2.31413862
O -0.95090841 2.31777897 -2.25385126
O -4.16893835 0.0004779 0.02880415
O -0.91594673 -2.31786755 2.26156935
O -0.9167084 2.25681138 2.32243417

-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


