%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
C 1.0506025 0.66631404 1.69492081
H 2.09756345 0.67521968 1.37528516
H 0.73469194 1.66530996 2.01140556
H 0.92972763 -0.04215711 2.52249125
Rh -0.10847559 0.06425696 0.12560369
O -1.29015472 -0.56099855 -1.81175526
O -1.67649335 -0.3672569 1.43678049
O 0.69090926 -1.85882785 0.20497811
O -1.02261928 1.9284273 -0.09035805
O 1.39195276 0.46014805 -1.26327724
H -1.96311533 -0.00878808 -2.25038277
H -1.42692535 -1.46684058 -2.14484418
H -2.2654223 -1.11417016 1.21039561
H -1.52054458 -0.39962453 2.401353
H 0.99476497 -2.20795174 1.06602217
H 1.42662523 -2.00431639 -0.42425984
H -1.85114826 2.02976489 0.42063894
H -0.50698316 2.74668389 0.04989331
H 2.09427704 1.12079418 -1.10407268
H 1.06569221 0.57882866 -2.17843961

-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


