%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:

3 1
N -1.80228094 -0.99729199 -0.31147954
H -2.24566983 -1.26711688 0.57893819
H -1.69019112 -1.86121838 -0.86033563
H -2.49205719 -0.43271703 -0.82699116
Rh -0.01618528 -0.00235195 0.0101814
O 1.87015173 0.94438274 0.28177196
O -1.01557173 1.81887749 -0.06704097
O 0.36114951 0.24437165 -2.00748807
O -0.36013482 -0.23400477 2.05129732
O 1.06659069 -1.76386691 -0.12729195
H 2.24452714 1.30897809 1.11160943
H 2.36039029 1.33922281 -0.47163432
H -0.49957923 2.65449476 -0.02618897
H -1.8989684 2.0038439 0.32086853
H -0.19831495 0.82718344 -2.56790756
H 0.65457088 -0.51624961 -2.55757804
H -0.58294257 0.52750912 2.63053661
H 0.16387828 -0.86221802 2.59538811
H 0.77764269 -2.65240191 0.17661912
H 2.03855386 -1.70230953 0.01279455

-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


