%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
B 1.30385458 0.00408465 -0.01126946
O 2.06582998 1.14686351 0.03598629
C 3.46147202 0.77056051 -0.0421313
C 3.45678669 -0.77441562 0.04550663
O 2.06035773 -1.1428532 -0.05066684
H 3.99942011 1.24697806 0.78255106
H 3.8643375 1.14054545 -0.99114848
H 4.00272213 -1.25371276 -0.77226195
H 3.84554211 -1.14633746 0.99963582
Sn -0.97135064 0.00319387 -0.00365778
C -1.71782608 -0.51845954 1.98444023
C -1.74664037 -1.46981536 -1.4171523
C -1.75035164 1.97070551 -0.53528449
H -1.38590937 0.21091341 2.73163834
H -2.81353759 -0.53614496 1.98537096
H -1.35739164 -1.50808963 2.28614528
H -1.35668048 -2.46693944 -1.18545653
H -2.8408081 -1.50665346 -1.37006153
H -1.45577089 -1.21909527 -2.4433274
H -1.37085572 2.73377296 0.15302128
H -1.44596449 2.24797148 -1.55061765
H -2.84523587 1.9779273 -0.49026018

-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


