%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
N 1.01559689 0.00016885 0.00565797
C 1.67901567 -1.11580562 0.35658608
C 3.0710802 -1.14728981 0.35571025
C 3.77658146 -0.00048381 -0.01569905
C 3.06595523 1.14662788 -0.3762275
C 1.67403758 1.11578476 -0.35564026
H 1.05493336 -1.95852746 0.63014099
H 3.58392188 -2.06006531 0.6427637
H 4.86392823 -0.00076232 -0.02422487
H 3.57474015 2.05910194 -0.67136015
H 1.04611685 1.95863108 -0.61990064
Pt -1.0183625 0.00034952 0.02111571
F -2.97313379 0.00055523 0.03582929
F -0.96183659 0.93767152 -1.72066838
F -0.93819203 -0.93680477 1.7618258
F -0.94366173 1.77227549 0.89854968
F -0.95702485 -1.77171791 -0.85705625

-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


