%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
N 1.164293 0.0792343 -0.09551358
C 2.35427251 0.11437528 -0.18230618
S 3.95163234 0.16280253 -0.29661322
Sn -0.90724341 -0.00558445 0.02082667
C -1.30277364 -0.07260026 2.14384997
C -1.4112723 -1.81920137 -1.03988655
C -1.55364882 1.81134673 -0.95318176
H -0.83553702 -0.95845391 2.58498224
H -0.89041773 0.81675417 2.6303634
H -2.37977805 -0.11093751 2.33950418
H -0.92778093 -2.67810669 -0.56423962
H -2.49417406 -1.98322938 -1.04039693
H -1.06661 -1.75614727 -2.07666031
H -1.15516217 2.68275366 -0.42443011
H -1.18889326 1.83368686 -1.98474683
H -2.64666746 1.87999429 -0.96695336

-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


