%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 -0.00001258 0.37159404 0.00045944
C 1.07585772 1.08738788 0.55960722
C 1.08382895 2.48336743 0.5632115
C 0.00007649 3.15559044 -0.00055781
C -1.08371543 2.48302087 -0.56383808
C -1.07583444 1.08704486 -0.55921426
H 1.92206528 0.56514703 0.99980109
H 1.9061978 3.04509662 0.99059246
N 0.00010612 4.6357488 -0.00110186
H -1.90604602 3.04449108 -0.9916352
H -1.92206391 0.56452692 -0.99903846
O 0.96764181 5.2071447 0.50181118
O -0.96741692 5.20678473 -0.50444512
In -0.00013584 -1.74615071 0.00119909
Cl 1.75150295 -2.93088276 0.91254695
Cl -1.75216999 -2.93090393 -0.90939815

-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


