%mem=3200mb
%nproc=4
#p B3LYP/genecp opt=modredun scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
 P                  1.94712000   -0.00740500   -0.00831800
 Zn                -1.32851700    0.00427100    0.00439200
 Cl                -1.28246900   -2.20997500   -0.23554800
 Cl                -1.22836500    0.90409900    2.04050500
 Cl                -1.26226600    1.31879400   -1.79359300
 F                  2.76166737   -1.38536471    0.22779131
 F                  2.77476779    0.47076920   -1.31430774
 F                  2.77368599    0.87843155    1.06409792

1 2 3 F

-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


