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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-2 1
C 1.070579 -0.004265 -0.02011
H 1.417106 1.028904 -0.162802
H 1.435143 -0.402259 0.937294
H 1.402198 -0.639378 -0.852432
Pt -0.973457 0.002845 0.022308
F -3.100141 0.004472 0.059808
F -0.965837 0.096178 -1.979581
F -0.899791 -0.091689 2.022287
F -0.932806 2.003697 0.113596
F -0.93145 -1.998794 -0.072965

-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


