%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:

-2 1
N 1.09686251 0.15163782 0.18369811
H 1.32603967 -0.84828431 0.2434854
H 1.3218787 0.39365154 -0.78930457
Pt -0.94466347 0.07089376 0.09484696
F -3.01220961 -0.0297235 -0.01776747
F -0.77471805 0.2621587 -1.89475245
F -1.04819953 -0.13454161 2.07353813
F -1.05538134 2.05371978 0.25093205
F -0.76748598 -1.91980295 -0.07727382

-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


