%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
opt freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
Sn 0.28878552 -0.50019119 0.18810756
C -0.08710553 0.1508712 2.19836787
C 2.07435404 0.12789089 -0.82309888
C -1.14793378 -1.73249785 -0.82309888
H -0.63562779 1.10093962 2.16959593
H -0.69757495 -0.58521343 2.7285924
H 0.85559717 0.31151092 2.7285924
H 1.89661309 1.10668659 -1.2863792
H 2.89721382 0.22907457 -0.10975062
H 2.34015018 -0.58599524 -1.60717476
H -1.90672524 -1.08917182 -1.2863792
H -0.66258832 -2.31962712 -1.60717476
H -1.64699131 -2.39452348 -0.10975062

-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


