%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
O -0.03263107 -0.02655577 -2.34378721
W -0.00584238 -0.00390753 -0.4195582
C -0.91462392 1.846242 -0.08702415
C 1.84536571 0.91354365 -0.11469949
C 0.02471869 0.02195092 1.64913901
C -1.84630521 -0.91202673 -0.04124433
C 0.91202032 -1.8455479 -0.06875327
O -1.39421145 2.83163914 0.35435836
O 2.83112464 1.40419778 0.31347298
O 0.0425918 0.037298 2.85007691
O -2.8212321 -1.39171103 0.42275837
O 1.40317398 -2.82101454 0.38188903

-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


