%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
N 1.02168155 0.70267469 -0.00808637
C 2.16944281 0.98277619 -0.01563547
S 3.76235347 1.37051412 -0.0260691
W -1.11670946 0.1829485 0.00601211
C -0.78938468 -1.22098761 -1.4817989
C -1.47963743 1.62573042 -1.43557646
C -3.06901829 -0.2901204 0.01879702
C -0.76055256 -1.26141646 1.44775567
C -1.45033917 1.58542126 1.49369872
O -0.6515422 -2.01742803 -2.31296475
O -1.72783125 2.42139609 -2.2414757
O -4.20914311 -0.56487757 0.02572648
O -0.60667223 -2.08037248 2.25385681
O -1.68219645 2.35863255 2.32588995

-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


