%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
C 0.00083474 0.59896454 0.00032484
C -1.11036048 1.31959232 0.47713936
C -1.11715552 2.71655468 0.47925686
C 0.00136506 3.40086959 -0.00151794
C 1.11963344 2.71552359 -0.48140096
C 1.11235738 1.31856112 -0.47733216
H -1.98894608 0.8008647 0.85482317
H -1.97619664 3.2683075 0.84773991
Cl 0.00165248 5.15498705 -0.00270123
H 1.97885748 3.26647214 -0.85065878
H 1.99080345 0.79908663 -0.85431074
In 0.00023733 -1.50849875 0.00198959
Cl -1.80768542 -2.71370086 0.77964668
Cl 1.80492977 -2.71993424 -0.77299861

-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


