%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 1.10505635 -0.00692928 0.0325793
C 1.76206596 0.00006478 1.82268048
C 1.82238297 -1.54238414 -0.84125246
C 1.80134419 1.53606198 -0.84514705
H 1.43080178 -0.88639026 2.37818606
H 1.42070095 0.88502132 2.37458084
H 2.86127103 0.00633575 1.82877565
H 2.92110421 -1.52262866 -0.81319588
H 1.51656843 -1.58717745 -1.89416518
H 1.49349556 -2.47193864 -0.35953776
H 2.90017563 1.53181129 -0.81589808
H 1.45890978 2.46228828 -0.36667095
H 1.49617846 1.57345558 -1.89858077
Zn -1.28348054 -0.02531658 -0.01074583
C -3.25884329 -0.04244284 -0.04721442
H -3.64848853 -1.07013417 -0.03050101
H -3.67772919 0.48696018 0.82025035
H -3.64467695 0.44542837 -0.9535013

-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


