%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
H 0.27956054 0.28709671 -2.18173346
H -0.2791277 -0.28723437 -2.18175313
W 0.00004368 0.0000061 -0.23141238
C 1.46066042 1.47898943 -0.19782247
C 1.47648037 -1.45775483 -0.27242447
C -0.00014603 0.00013533 1.78796549
C -1.47637164 1.45777716 -0.27284042
C -1.46060389 -1.47895136 -0.1979739
O 2.27028318 2.29858275 -0.15533842
O 2.29726513 -2.26821208 -0.28819998
O -0.00038806 0.00012655 2.94476204
O -2.29718739 2.26819812 -0.28883556
O -2.2699436 -2.29882852 -0.15556933

-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


