%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
0 1
N -2.212873 -0.054335 -0.017893
H -2.6106 0.585152 0.66953
H -2.568031 -0.98589 0.195917
H -2.588364 0.209943 -0.928299
Fe -0.09652 -0.002256 -0.000848
C 1.689541 0.041459 0.013347
C -0.098613 -1.242612 -1.32287
C -0.140834 -0.52867 1.733479
C -0.180015 1.761039 -0.413627
O 2.842473 0.069812 0.022355
O -0.123829 -2.035085 -2.167135
O -0.192815 -0.865628 2.84036
O -0.257562 2.886214 -0.677057

-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


