%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
He -0.00066016 -0.08346793 3.02241475
Sn -0.003083 0.00789162 -0.04875281
C 0.00827746 2.15329971 -0.07425834
C -1.86291455 -1.06152807 -0.05214154
C 1.85110235 -1.07129819 -0.03656196
H -0.65987917 2.5351026 0.70527075
H 1.01991128 2.53465269 0.0825483
H -0.36591494 2.50724335 -1.04236718
H -1.84956078 -1.82520143 0.73288514
H -2.70223801 -0.37986327 0.10467108
H -1.98615527 -1.57070031 -1.01552352
H 2.49723617 -0.68478937 0.75916884
H 1.67520586 -2.13901074 0.11375814
H 2.36618376 -0.91989867 -0.99266566

-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


