%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
P 1.53838996 0.00581312 -0.00513772
F 2.33502009 -1.07324337 0.87496443
F 2.34704395 1.30068952 0.48911831
F 2.34510753 -0.22031805 -1.37373017
Pd -0.6567519 0.01665228 -0.0119021
P -3.00134587 0.01134781 -0.0094529
H -3.70882232 1.16188889 0.40945309
H -3.70269719 -0.20548659 -1.21807154
H -3.69968226 -0.93167161 0.77906061

-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


