%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 1.14572446 -0.46071541 0.00163035
N 1.96419427 -1.53561011 0.00237074
C 3.30259712 -1.16458579 0.00377487
C 3.31180781 0.1984377 0.00391937
N 1.98506234 0.59214447 0.00262962
H 4.10958495 -1.88101549 0.00453842
H 4.13069001 0.90105098 0.00481551
H 1.61795082 -2.48602777 0.00188337
H 1.62401181 1.54706153 0.00240469
Hg -1.09962946 -0.17234622 -0.00077991
I -1.04735148 2.65638013 -0.00048941
I -3.06197194 -2.05049385 -0.00254354

-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


