%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 1.33364498 0.09023643 0.00388195
C 2.13889666 1.08434377 0.5765298
C 3.41715727 0.64922553 0.61319997
C 3.43924254 -0.67754519 0.04699081
C 2.17337453 -0.98779632 -0.30788153
H 1.63310278 1.99352691 0.86243391
H 4.26338512 1.20497999 0.99336223
H 4.30526851 -1.31249873 -0.08070666
H 1.69714409 -1.83755024 -0.77207794
Sn -0.99857439 0.05942604 -0.01757398
C -1.20530942 2.18754629 -0.22076924
C -1.25540743 -0.8399222 1.91447053
C -1.14812433 -1.16295935 -1.77710597
H -0.51774301 2.55919991 -0.98649099
H -2.2264359 2.43184836 -0.53236788
H -1.00710307 2.69135983 0.72937023
H -0.72956442 -0.25408137 2.67390251
H -2.31884072 -0.8712888 2.17472575
H -0.8666323 -1.86196987 1.91180657
H -0.43241441 -0.8206704 -2.53070152
H -0.95906209 -2.21341863 -1.53931729
H -2.15465947 -1.08162775 -2.20089514

-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


