%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
P 1.498932 -0.056893 -0.002134
H 2.066796 1.21903 -0.173173
H 1.981503 -0.885382 -1.032202
H 1.990644 -0.589115 1.204223
Rh -0.855101 0.013026 -0.002305
O -3.069161 0.01419 0.004934
O -0.953866 0.158878 2.071406
O -0.807307 -2.044203 0.249267
O -0.804784 2.081696 -0.255904
O -0.969439 -0.345333 -2.049244
H -3.661468 0.788777 -0.086052
H -3.649053 -0.769226 0.102122
H -1.843979 0.280701 2.46876
H -0.298073 0.554529 2.684374
H -1.003095 -2.474448 1.109204
H -1.010591 -2.668435 -0.480062
H -1.026839 2.708287 0.465324
H -1.031063 2.514885 -1.10634
H -0.316475 -0.115377 -2.744273
H -1.862074 -0.318819 -2.458506

-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


