%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
 5D 7F scf=nosym empiricaldispersion=gd3 scrf=(pcm)

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
N 0.00178163 1.17025063 0.00258101
C 1.05348046 1.85510242 -0.52301675
C 1.07936715 3.24216317 -0.5420376
C -0.00209973 3.94953036 -0.00786162
C -1.08160431 3.243168 0.53160656
C -1.05185192 1.85608768 0.52301952
H 1.87124963 1.26521368 -0.92677647
H 1.93542715 3.75334948 -0.96960872
H -0.00363172 5.03553079 -0.0119521
H -1.93909971 3.75516985 0.95530874
H -1.86797239 1.26694661 0.93117242
In 0.00473238 -0.96262805 0.01058251
Cl -1.89669339 -1.71606844 0.9588397
Cl 1.90798674 -1.71863717 -0.93185719

-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


