%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:
        
3 1
C 1.308539 -0.000002 0.000029
N 2.124997 -1.051415 0.22607
C 3.454862 -0.667321 0.143489
C 3.45489 0.667373 -0.142685
N 2.125043 1.051436 -0.225731
H 4.268734 -1.365061 0.292951
H 4.268798 1.365118 -0.291925
H 1.819169 -1.999054 0.424812
H 1.819267 1.999066 -0.424582
Rh -0.701151 0.000006 -0.000157
O -2.947982 -0.000022 0.000686
O -0.737916 0.46468 2.025004
O -0.64556 -2.071367 0.269205
O -0.645497 2.071362 -0.269507
O -0.737048 -0.464698 -2.025381
H -3.538915 0.777128 0.057355
H -3.538785 -0.777173 -0.057288
H -1.548247 0.287463 2.54918
H 0.037037 0.314964 2.607134
H -1.101611 -2.499094 1.025034
H -0.835763 -2.610706 -0.529404
H -0.835917 2.610713 0.529046
H -1.101435 2.499008 -1.025449
H 0.038371 -0.315274 -2.606968
H -1.54692 -0.287469 -2.550257

-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


