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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
N 1.127035 0.000959 -0.014885
H 1.409233 0.982953 -0.033208
H 1.446634 -0.483832 -0.853524
H 1.468364 -0.457103 0.830466
Pt -0.930628 -0.008108 0.019081
F -2.885616 0.008826 0.051993
F -0.858577 0.024364 -1.960481
F -0.785056 -0.053747 1.994612
F -0.791185 1.97079 0.05376
F -0.858366 -1.985394 -0.020412

-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


