%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:

0 1
O 0.53881735 1.12335232 -0.24235127
H 0.86497157 1.51535446 0.58175204
Pd -0.79735371 -0.427091 0.05311563
P -0.88573916 -0.49875716 2.33452636
P -0.81586522 -0.4797963 -2.2478006
H -1.83018745 -1.62753417 0.10571063
H -0.1150498 0.40816315 3.10044045
H -2.13091427 -0.30034529 2.96991263
H -0.51114287 -1.69265578 2.98861208
H 0.03016743 0.49477247 -2.81368393
H -0.39293039 -1.63266197 -2.9453248
H -2.00957836 -0.2395466 -2.96323941

-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


