%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

2 1
O 0.83648969 0.17798841 -0.22989216
H 1.37309543 -0.46582213 0.26927454
Rh -1.08856463 0.00936105 0.01200572
O -3.26465217 -0.03219114 0.27555194
O -0.99053863 0.31319396 2.06479943
O -1.20525383 -2.0238837 0.4176166
O -0.94474886 2.00457376 -0.52569845
O -0.98885833 -0.50579994 -1.98121345
H -3.6874975 -0.91022969 0.34973396
H -3.90205429 0.54620384 -0.18496429
H -1.79903427 0.5925277 2.54053039
H -0.23223501 0.82013427 2.41936575
H -0.80630553 -2.35871952 1.24650248
H -0.94436227 -2.62938241 -0.30681899
H -1.39290819 2.7224512 -0.03605481
H 0.01635099 2.21677139 -0.56441034
H -0.04590528 -0.3766548 -2.23914406
H -1.54333789 -0.03375431 -2.63609492

-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


