%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:
        
0 1
C 0.503659 -0.000125 -0.047267
C 1.176032 1.223146 -0.03232
C 2.574649 1.212843 0.005483
C 3.271323 0.000063 0.027151
C 2.574785 -1.212797 0.005444
C 1.176178 -1.223282 -0.032312
H 0.629011 2.159304 -0.055611
H 3.114671 2.156005 0.011707
H 4.357664 0.000095 0.051801
H 3.115019 -2.155834 0.011641
H 0.629272 -2.159513 -0.05554
Mn -1.449864 -0.000002 0.004251
O -1.815875 1.318987 -0.741746
O -1.775256 -0.00031 1.530642
O -1.816219 -1.318562 -0.742316

-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


