%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 1.67293022 0.00049233 -0.00033913
F 2.46968644 -0.96564617 0.99255088
F 2.46597169 1.34552629 0.33983223
F 2.4674052 -0.37528566 -1.33498579
Pt -0.502193 -0.00114815 0.00068923
P -2.80676679 0.00206624 -0.00137894
H -3.48247545 -0.34251581 -1.19188471
H -3.48631073 -0.85319661 0.89297765
H -3.48068059 1.20711453 0.29279857

-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


