%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 1.12703498 0.00095882 -0.01488502
H 1.40923289 0.98295332 -0.03320783
H 1.44663428 -0.48383214 -0.85352373
H 1.46836371 -0.45710269 0.83046571
Pt -0.93062833 -0.00810811 0.01908127
F -2.8856163 0.00882621 0.05199312
F -0.85857723 0.02436385 -1.96048138
F -0.78505576 -0.05374707 1.99461227
F -0.79118476 1.97079045 0.05375992
F -0.85836559 -1.98539351 -0.02041198

-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


