%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 0.00012094 1.2749728 0.00003219
C -1.11777965 1.99129787 -0.46864161
C -1.11674035 3.38964018 -0.46808877
C 0.00062455 4.08813648 -0.00003112
C 1.11774301 3.38927316 0.46807205
C 1.11826537 1.99093129 0.46873319
H -1.99709677 1.46672034 -0.83700797
H -1.98595987 3.93142904 -0.83238665
H 0.00081637 5.17521774 -0.00006619
H 1.9871554 3.93077799 0.83233248
H 1.99740231 1.46608018 0.83714285
In -0.00013152 -0.83203128 0.0001323
Cl 1.80757464 -2.05512445 0.75871051
Cl -1.80855342 -2.05385833 -0.75893326

-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


