%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 -1.27551532 -0.00849812 0.00668103
F -2.10626631 1.24003367 0.59480175
F -2.11738438 -1.15722987 0.75855613
F -2.0569506 -0.10051309 -1.39860076
Ni 0.75033226 -0.01142682 0.04980241
P 2.91921843 0.00063724 0.01476579
H 3.63969961 -0.97870645 0.73796175
H 3.58442554 -0.1435224 -1.22506334
H 3.61848877 1.13874785 0.48045322

-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


