%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
S 1.83834476 0.2415966 -1.10317445
C 2.43834787 -1.33033718 -0.57525635
C 3.2109395 -1.20047721 0.53466618
C 3.30741058 0.15975142 1.01328685
C 2.60653976 1.04928792 0.26220059
H 2.21914939 -2.21553936 -1.15858359
H 3.71338323 -2.03855529 1.00567454
H 3.89153617 0.45018842 1.88004423
H 2.52672469 2.12364078 0.36831435
Sn -0.79246889 0.10977572 -0.20875233
C -1.18777244 2.22061533 -0.36149452
C -0.40444857 -0.73080136 1.73170573
C -1.5018442 -1.17660789 -1.78219648
H -0.96408204 2.58126255 -1.3694889
H -2.24672162 2.41043564 -0.15507128
H -0.589496 2.77428229 0.36733558
H 0.64514391 -0.56354724 1.99310319
H -1.03303606 -0.24424475 2.48354462
H -0.60652472 -1.80462508 1.72997471
H -1.29795526 -0.7340787 -2.76123121
H -1.02408164 -2.15811058 -1.71706167
H -2.58429888 -1.31246342 -1.68288785

-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


