%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
1 1
N -0.498408 0.000014 -0.050644
C -1.162075 -1.184957 -0.032
C -2.548499 -1.208014 0.006659
C -3.253416 -0.000013 0.02762
C -2.54851 1.208012 0.006647
C -1.162097 1.184982 -0.031989
H -0.564792 -2.088824 -0.052029
H -3.058489 -2.165714 0.014744
H -4.339061 -0.000006 0.055223
H -3.058538 2.165691 0.014712
H -0.564797 2.088838 -0.05201
Mn 1.425194 0.000001 0.00587
O 1.825595 1.300455 -0.732808
O 1.825547 -1.300633 -0.732528
O 1.785391 0.000159 1.511023

-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


