%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 -2.41033745 0.00124412 0.00160657
H -3.14204016 0.32462635 -1.29685825
H -3.1371932 -1.28701044 0.37363481
H -3.13681315 0.96550097 0.933343
Pd 0.00894412 0.00219004 -0.00216061
P 2.24719814 0.00133924 0.00078261
H 3.02516682 -0.95334621 0.73420009
H 3.03057171 -0.15581369 -1.18942599
H 3.02672017 1.11176762 0.46312377

-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


