%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
C 1.050602 0.666314 1.694921
H 2.097563 0.67522 1.375285
H 0.734692 1.66531 2.011406
H 0.929728 -0.042157 2.522491
Rh -0.108476 0.064257 0.125604
O -1.290155 -0.560999 -1.811755
O -1.676493 -0.367257 1.43678
O 0.690909 -1.858828 0.204978
O -1.022619 1.928427 -0.090358
O 1.391953 0.460148 -1.263277
H -1.963115 -0.008788 -2.250383
H -1.426925 -1.466841 -2.144844
H -2.265422 -1.11417 1.210396
H -1.520545 -0.399625 2.401353
H 0.994765 -2.207952 1.066022
H 1.426625 -2.004316 -0.42426
H -1.851148 2.029765 0.420639
H -0.506983 2.746684 0.049893
H 2.094277 1.120794 -1.104073
H 1.065692 0.578829 -2.17844

-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


