%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
O 1.25428829 0.00106737 -0.05119184
H 1.63541138 -0.00452129 0.8390418
W -0.93637675 0.00034899 0.02381901
C -0.92150237 -1.4436559 -1.46736188
C -0.92240945 1.48324676 -1.42864882
C -2.94615154 -0.00005301 0.00961496
C -0.95736861 -1.47595625 1.46186152
C -0.95844232 1.43806742 1.50016027
O -0.97101867 -2.25365772 -2.29867994
O -0.97242935 2.3152705 -2.2379095
O -4.12469707 -0.00061718 0.01592459
O -1.01658025 -2.3103165 2.27253296
O -1.01808528 2.25070207 2.33263689

-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


