%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
Si 2.41080966 -0.00010504 -0.00053881
H 2.98315256 0.03718106 1.37935933
H 2.98119775 -1.21390902 -0.65978923
H 2.97946111 1.17759575 -0.72377152
Au 0.03455127 -0.00072822 0.00167249
P -2.40913887 0.00046492 0.0006415
H -3.09308224 0.85036996 -0.89689106
H -3.09734983 -1.19935707 -0.28666655
H -3.09620041 0.35384167 1.18337784

-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


