%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
O 1.84231874 -0.29044689 -0.15652019
Sn -0.05700115 -0.08414947 -0.04667612
C -0.81806165 2.01380462 -0.02597806
C -1.03726499 -0.95424262 1.76003891
C -1.24230898 -0.99426745 -1.70449058
H -0.40827615 2.56045413 0.8337203
H -0.51117506 2.54046207 -0.93935629
H -1.9155796 2.03686417 0.03743993
H -0.63214841 -0.49662163 2.67231105
H -2.12408865 -0.78841736 1.73994537
H -0.85117521 -2.03519692 1.81225178
H -0.95322881 -0.55275453 -2.6674814
H -1.05665213 -2.07519397 -1.75842089
H -2.31988743 -0.83276083 -1.55678419

-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


