%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:

-1 1
C -0.00133364 -0.07431078 -0.00465589
C -1.17825714 -0.85264699 -0.21734994
C -1.19786509 -2.24485142 -0.21856373
C 0.00073462 -2.94340052 0.00038157
C 1.19832907 -2.24240265 0.21663152
C 1.1767352 -0.85020818 0.21035991
H -2.12195737 -0.33823086 -0.38969627
H -2.11476741 -2.80139674 -0.38420249
N 0.00174441 -4.38708329 0.00319571
H 2.11604783 -2.7970184 0.3842125
H 2.11972766 -0.33384586 0.38068466
O 1.07491614 -4.98840351 0.19919663
O -1.07059725 -4.99064931 -0.19041648
Pd -0.00340204 2.01952693 -0.00463719
P -0.00319195 4.24258935 0.00248421
H -1.20078012 5.01947422 0.09584555
H 0.6828613 5.00652429 0.99824251
H 0.52255477 5.00964971 -1.0842128

-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


