%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 0.67840586 0.8518562 -0.0104041
C 1.75844922 1.30314069 -0.02916648
S 3.28693452 1.94163093 -0.05609278
Pt -1.17375567 0.0791408 0.02177711
F -2.98584903 -0.67652029 0.0532866
F -1.24101891 0.12232215 -1.96103866
F -1.13193893 0.02523726 2.00500017
F -1.94867783 1.90490099 0.08782321
F -0.42422633 -1.75703349 -0.04378272

-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


