%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:

2 1
P -1.22159597 0.00014157 0.00072818
F -1.8010686 1.19923351 0.76986327
F -1.80042948 -1.26661086 0.65308718
F -1.7975779 0.06742185 -1.42365037
Zn 1.15116927 0.00071941 0.00273294
N 3.11763193 -0.00067039 0.0012357
H 3.51822977 -0.95021423 -0.06332049
H 3.51873889 0.52925604 -0.78910614
H 3.51998209 0.4182261 0.85499984

-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


