%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
O 1.08570947 -0.00233635 -0.00287548
Pd -0.85387595 0.00094536 -0.00033553
P -1.20031241 -2.24775345 0.00089642
P -1.19170964 2.25089869 0.0005802
H -2.55139444 0.00374305 0.00187372
H -0.15883745 -3.22703652 0.00035619
H -1.96556148 -2.82249316 1.05300397
H -1.96755493 -2.82357175 -1.04918302
H -0.14627272 3.22590565 -0.00014731
H -1.95669301 2.82962432 -1.04955887
H -1.95462543 2.82887614 1.0526207

-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


