%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
H 0.13462684 -0.24317611 -1.95126269
Sn 0.03144117 -0.05985173 -0.23372245
C 0.02520163 2.06356162 0.25390785
C 1.75347416 -1.02669731 0.68736903
C -1.80798124 -0.9902066 0.47135041
H -0.8252083 2.5681141 -0.21756827
H -0.04795056 2.20831059 1.33741409
H 0.94566836 2.54426457 -0.09493654
H 2.68695523 -0.57449753 0.33493401
H 1.7136008 -0.92509547 1.77755182
H 1.77597989 -2.09437516 0.44312985
H -2.68269425 -0.52448967 0.0044923
H -1.81932643 -2.05897058 0.23130186
H -1.90047029 -0.88169273 1.55762503

-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


