%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 1.07988178 0.00406372 -0.00204964
C 1.77288851 -1.07637279 -0.56588346
C 3.17380441 -1.06977704 -0.56982988
C 3.84303952 0.01432578 -0.00867425
C 3.16847611 1.09342388 0.5557169
C 1.76753578 1.08960565 0.55850114
H 1.26018862 -1.93007988 -1.00448201
H 3.73936383 -1.89086942 -0.99868843
N 5.33429518 0.01985512 -0.01226162
H 3.72995532 1.91870385 0.98188759
H 1.25063574 1.93947024 0.99962506
O 5.88082387 0.9939083 0.49106432
O 5.8855885 -0.9501521 -0.51819803
Rh -0.92668424 -0.00345535 0.00277561
O -3.27241129 -0.0127027 0.00864996
O -0.96263467 0.72779157 1.95296675
O -0.98443351 -1.9708167 0.68368463
O -1.00217752 1.96334881 -0.67807634
O -0.96642381 -0.73510094 -1.94726877
H -3.85562333 -0.7257099 0.32643043
H -3.86304532 0.6954742 -0.30620707
H -1.71597347 0.43861083 2.50602076
H -0.14762467 0.62045446 2.48436879
H -0.14954863 -2.30140719 1.07394042
H -1.25296566 -2.63086778 0.01295236
H -1.27324753 2.62163118 -0.00663559
H -0.17136485 2.30016891 -1.07167853
H -0.15477919 -0.62135027 -2.48248033
H -1.72455307 -0.45167659 -2.49675142

-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


