%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
C -1.79583813 0.71083791 -0.36872346
C -2.80380741 0.43548685 0.47280261
H -3.80878399 0.83717392 0.33081204
H -2.67859617 -0.20476861 1.3467137
H -2.01413632 1.36262543 -1.21858354
Sn 0.21193108 -0.06001715 -0.13126162
C 1.6126682 1.59558176 0.08040191
C 0.75454005 -1.24228204 -1.87933062
C 0.22266241 -1.29935471 1.65846987
H 1.35142884 2.21211438 0.94721631
H 2.63415239 1.22327083 0.2170832
H 1.59801717 2.23325828 -0.81049746
H 0.73254735 -0.62774892 -2.78619687
H 1.76423076 -1.65376223 -1.77006924
H 0.055423 -2.07485068 -2.01275118
H -0.05402141 -0.71124114 2.54040865
H -0.48686186 -2.12844869 1.5613502
H 1.21894604 -1.72177719 1.8294595

-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


