%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
Si 1.1096775 0.00154365 0.05404405
C 1.81041624 0.00667139 1.81305568
C 1.73084392 -1.56651313 -0.810059
C 1.74004925 1.55863333 -0.82311856
H 1.48374297 -0.87207476 2.37811583
H 1.48665915 0.89040342 2.3719157
H 2.9098994 0.00459229 1.75397709
H 2.83041993 -1.59889312 -0.78812787
H 1.39072331 -1.59486317 -1.84950317
H 1.35334554 -2.4623145 -0.30182608
H 2.839939 1.58212758 -0.80595378
H 1.37199055 2.4609104 -0.31944228
H 1.39601289 1.58258984 -1.86139877
Au -1.31154712 0.00863942 -0.0535605
Cl -3.82990766 0.01531639 -0.27768372
Cl -1.42383949 0.02181461 2.31026453
Cl -0.98912498 -0.00467503 -2.41005633

-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


