%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
opt=modredun freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
 Xe                 1.67353943    0.05885519   -0.09813568
 Sn                -1.32391544   -0.00039009    0.01028162
 C                 -1.48796556   -1.33408656   -1.66601027
 C                 -1.50740590    2.11852168   -0.29582393
 C                 -1.36106342   -0.79277453    2.00724387
 H                 -0.97818688   -2.27713694   -1.45190065
 H                 -2.54738858   -1.54440697   -1.85462599
 H                 -1.05933984   -0.87384969   -2.56010255
 H                 -1.07715186    2.40177206   -1.26002881
 H                 -2.56967429    2.39011330   -0.29376185
 H                 -1.00721598    2.66303217    0.50933313
 H                 -0.86298225   -1.76538020    2.03912189
 H                 -0.87231634   -0.10155574    2.69885315
 H                 -2.40324665   -0.92336773    2.32181400

1 2 F

-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


