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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
C 1.1605196 -0.03265269 0.03114997
C 1.89889191 -1.17198877 0.42126153
C 3.28756566 -1.14715486 0.46746771
C 3.98249713 0.02502058 0.12271633
C 3.27134243 1.16937207 -0.26809868
C 1.87377012 1.12904935 -0.30975792
H 1.3902302 -2.09428752 0.6940257
H 3.85923401 -2.02058945 0.76682856
O 5.33830506 -0.0519389 0.19989171
H 3.78482987 2.08504992 -0.5387796
H 1.34782673 2.03106128 -0.61646826
C 6.11319553 1.09648899 -0.13328911
H 5.88277514 1.93808886 0.53302195
H 7.15408754 0.7988204 0.00231613
H 5.95068735 1.39616614 -1.17691543
In -0.93546241 -0.06190463 -0.0406391
Cl -2.17522762 -1.93476169 0.50574705
Cl -2.15472395 1.79793447 -0.67779162

-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


