%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:
        
2 1
C 1.836127 0.000028 -0.000352
N 3.00351 0.000048 -0.000526
Rh -0.097701 -0.000004 0.000034
O -2.318774 -0.000012 0.000244
O -0.10216 1.60803 1.309798
O -0.146274 -1.401106 1.530235
O -0.147089 1.401178 -1.530052
O -0.102745 -1.608112 -1.309731
H -2.896857 0.503584 -0.603415
H -2.897135 -0.503309 0.603886
H -0.769396 1.6165 2.027039
H 0.759899 1.870549 1.698509
H 0.657962 -1.440945 2.091678
H -0.304027 -2.319264 1.22208
H -0.304156 2.319381 -1.221683
H 0.656567 1.440742 -2.092343
H 0.759102 -1.870691 -1.698865
H -0.770419 -1.616716 -2.026558

-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


