%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 1.06236896 0.03066602 0.09860695
C 1.87450985 1.05344896 -0.46790207
C 3.15727099 0.80115497 -0.15040153
C 3.19720868 -0.40914772 0.6400216
C 1.93767267 -0.86020809 0.78169481
H 1.34658435 1.8131397 -1.02455312
H 4.00445155 1.40732404 -0.44224353
H 4.07995866 -0.8800553 1.05150951
H 1.46245008 -1.69831589 1.26893143
In -1.05092345 -0.13408239 -0.04737887
Cl -1.56133713 -1.98997592 1.09533463
Cl -1.68375722 1.63159643 -1.26883343

-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


