%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

3 1
C 1.04168 -0.017976 0.00147
O 2.166033 -0.029598 0.001159
Rh -0.931741 0.001565 -0.000135
O -3.03117 0.01008 -0.088352
O -1.010866 0.455539 2.024586
O -1.118868 -2.041455 0.28392
O -1.081759 2.048229 -0.28211
O -1.032419 -0.45462 -2.017939
H -3.579406 0.826363 -0.093706
H -3.598781 -0.759483 0.140799
H -1.847938 0.286794 2.515162
H -0.267736 0.344556 2.661214
H -0.730743 -2.515649 1.05518
H -1.004848 -2.62262 -0.504751
H -0.923223 2.635856 0.493669
H -0.724041 2.508233 -1.076214
H -0.317398 -0.309762 -2.679616
H -1.897115 -0.299287 -2.464917

-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


