%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 0.45237546 0.00143699 -0.00353935
C 1.22445471 1.2022178 -0.02533432
C 2.61471424 1.21841284 -0.02362083
C 3.31385304 -0.00012054 0.00027287
C 2.61340885 -1.21778765 0.02199184
C 1.22306646 -1.20008783 0.01963101
H 0.70277658 2.15617917 -0.04416912
H 3.17126535 2.14964939 -0.04042841
N 4.75609265 -0.00093079 0.00241749
H 3.16886424 -2.14965826 0.04007418
H 0.7002646 -2.15344802 0.03649256
O 5.35791863 -1.09183402 0.02382711
O 5.35913144 1.08933252 -0.01709299
Pt -1.59463141 0.00362388 -0.00055832
P -3.82095177 0.00309715 0.01088149
H -4.58551678 1.17719838 0.29731919
H -4.57305821 -0.34501012 -1.15393619
H -4.56871309 -0.84081487 0.88990679

-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


