%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
P 1.21392629 0.00154095 -0.00001477
F 1.88208833 1.41332325 0.00700943
F 1.88402049 -0.69746509 -1.22561622
F 1.88400617 -0.70973952 1.21850244
Zn -1.29602147 -0.0024173 0.00010691
C -3.24150023 -0.00423121 0.00001138
H -3.57715407 -1.03521704 0.14555688
H -3.57864692 0.63687749 0.8198188
H -3.57840159 0.38476848 -0.96537485

-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


