%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
C 0.05670021 0.38268585 -0.01027924
C -1.02520375 1.25411255 -0.22512899
C -0.86068159 2.64345636 -0.24780259
C 0.41333874 3.1754826 -0.04949659
C 1.51375941 2.34576456 0.16953325
C 1.3236421 0.96038237 0.18698618
H -2.02759298 0.85774166 -0.37761902
H -1.70643737 3.30360818 -0.41483265
Cl 0.63696742 4.92183109 -0.07390664
H 2.49814526 2.77699226 0.324464
H 2.19524862 0.33167043 0.36326756
Sn -0.2258883 -1.77240138 0.01831555
C -2.36585313 -2.14132785 0.12191938
C 0.80642843 -2.57438019 1.75724954
C 0.61173098 -2.63226165 -1.79738803
H -2.80133527 -1.6566963 1.00261177
H -2.87197264 -1.75392109 -0.76929763
H -2.5709042 -3.21547861 0.18694462
H 0.39625256 -2.14752627 2.6786098
H 0.70236561 -3.66398322 1.80475654
H 1.87522127 -2.33592815 1.71730873
H 0.09530366 -2.24215253 -2.6810127
H 1.67511655 -2.3843055 -1.88657587
H 0.51316641 -3.72349418 -1.79362699

-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


