%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
C -1.6305778 0.21051626 -1.50147786
C -2.82651899 -0.41242255 -1.52404955
H -3.56159954 -0.26172429 -2.3236773
H -3.13494003 -1.10856909 -0.74132413
H -1.46904766 0.87959088 -2.35988927
W 0.07213582 0.07105533 0.04250328
C -0.88141384 1.63081823 0.9970859
C 1.14190685 1.41308874 -1.09621474
C 1.58681039 -0.0373964 1.39327235
C -1.05268904 -1.2689274 1.13548265
C 0.77791811 -1.48382344 -1.11410346
O -1.44914219 2.50849502 1.50773898
O 1.74526472 2.17237596 -1.74190078
O 2.4610148 -0.10064835 2.17425182
O -1.67835942 -2.02576086 1.76068856
O 1.14315183 -2.35722604 -1.79023147

-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


