%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:

0 1
N 0.99759263 -0.00076683 -0.00000008
C 1.69473228 -1.15984458 -0.00000008
C 3.08681006 -1.19939028 -0.00000008
C 3.80109351 0.00038865 -0.00000008
C 3.08600164 1.19940113 -0.00000008
C 1.69369349 1.15879406 -0.00000008
H 1.10034915 -2.06629887 -0.00000008
H 3.5937441 -2.15936084 -0.00000008
H 4.88764096 0.00076516 -0.00000008
H 3.59213565 2.15979644 -0.00000008
H 1.09857712 2.06472854 -0.00000008
Pt -1.11237621 -0.00258895 -0.00000008
P -3.29403219 -0.00753765 -0.00000008
H -4.00195255 -1.2377193 -0.00000008
H -4.00504378 0.60666217 1.06416307
H -4.00504378 0.60666217 -1.06416323

-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


