%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 -1.67270171 -0.02242287 0.00018295
C -2.36335279 -1.71235623 -0.06379139
C -2.34139464 0.78529524 1.49495743
C -2.32950873 0.89043099 -1.43771235
H -1.97163234 -2.27253847 0.78958648
H -1.99150795 -2.19672579 -0.97098186
H -3.45995351 -1.70179594 -0.05253073
H -3.43791872 0.78223163 1.50537389
H -1.95732244 1.80964618 1.5103846
H -1.93569701 0.26698204 2.36794036
H -3.42588078 0.89900458 -1.45305139
H -1.92422144 0.42590167 -2.34076635
H -1.93258802 1.90834319 -1.38119626
Pt 0.59493163 0.00126813 -0.00054936
F 2.59465968 0.07982705 -0.01036332
F 0.43953268 1.99045979 -0.03256558
F 0.63440959 -1.98309593 0.03035165
F 0.53452002 -0.03575508 -1.98976459
F 0.5582535 0.02576381 1.98825581

-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


