%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
C 2.0971715 0.0085217 -0.02805727
N 0.94875181 0.00443331 -0.01088705
H 3.1658861 0.01287582 -0.04404279
Pt -1.03690667 -0.00272305 0.0202481
F -2.96072347 -0.01030481 0.05073609
F -1.04558414 0.02297245 -1.9557753
F -0.98491093 -0.03654987 1.99527263
F -1.0232418 1.97307396 0.04976809
F -1.0051423 -1.97848225 -0.00956455

-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


