%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
N -1.154209 -0.000009 0.000044
C -1.831344 1.179439 -0.059593
C -3.222321 1.203567 -0.066558
C -3.933764 0.000152 0.000164
C -3.222456 -1.203335 0.066874
C -1.831468 -1.179365 0.059791
H -1.254398 2.097011 -0.072688
H -3.729367 2.163585 -0.115395
H -5.021159 0.000217 0.000219
H -3.729596 -2.163297 0.115814
H -1.25463 -2.097007 0.072932
Rh 0.882144 -0.000045 -0.00008
O 3.071703 0.00008 0.000181
O 0.878896 -0.926655 1.857045
O 0.858982 1.788568 1.061205
O 0.858244 -1.788697 -1.061204
O 0.878476 0.926403 -1.857335
H 3.656087 0.377758 0.688471
H 3.657361 -0.376884 -0.687432
H 1.646881 -1.456872 2.159968
H 0.066376 -1.363205 2.191288
H 0.71609 1.72843 2.030831
H 1.539743 2.477918 0.908693
H 1.540103 -2.477212 -0.909733
H 0.714736 -1.728025 -2.030721
H 0.065948 1.363226 -2.191198
H 1.646535 1.456112 -2.160964

-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


