%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
Br -1.9080778 -0.17029143 -0.11678733
Sn 0.68486977 -0.01833791 -0.01587061
C 1.14196985 -0.00823033 2.09798752
C 1.15472826 1.83475157 -1.02705287
C 1.3691567 -1.78690858 -1.05622705
H 0.66416894 0.8502976 2.57926002
H 0.76691454 -0.92328547 2.56587604
H 2.22407752 0.05311558 2.25904773
H 0.67894959 2.6735326 -0.51023551
H 2.23776846 2.00019174 -1.04713631
H 0.78329257 1.80340168 -2.05565373
H 0.98125584 -2.68354783 -0.56378158
H 1.01099814 -1.77470649 -2.08992548
H 2.46396864 -1.83249272 -1.06204085

-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


