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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

2 1
S 1.354195 -0.093302 0.435214
C 1.666724 -1.217877 -0.786367
N 1.684122 -1.967583 -1.685876
Rh -0.982304 -0.058354 0.156675
O -3.208612 0.066685 0.139021
O -1.195056 0.619593 2.121329
O -1.188881 -2.058337 0.679397
O -0.918623 1.940644 -0.412745
O -0.945833 -0.734929 -1.804046
H -3.709891 0.745572 -0.352582
H -3.767206 -0.734343 0.155156
H -2.076006 0.450224 2.515173
H -0.520951 0.431088 2.805867
H -0.49641 -2.435852 1.261297
H -1.257685 -2.664865 -0.08865
H -1.103141 2.576059 0.310839
H -0.08055 2.236118 -0.828036
H -0.08365 -1.095405 -2.140812
H -1.355203 -0.197335 -2.511434

-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


