Cu1CONBOTm3 MO=Lumo
 MO coefficients
   -3  -10.001248  -10.027643  -10.107017
   79    0.255796    0.000000    0.000000
   79    0.000000    0.255796    0.000000
   81    0.000000    0.000000    0.255796
   29   19.000000    0.026394    0.000000   -0.079374
    6    6.000000   -0.097926    0.000000    3.762677
    8    8.000000    1.502824    0.000000    5.438931
    1   19
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  3.81478E-03  3.45617E-03  3.12128E-03  2.80986E-03  2.52144E-03  2.25542E-03
  2.01103E-03  1.78742E-03  1.58361E-03
  1.09025E-03  1.24150E-03  1.40917E-03  1.59431E-03  1.79796E-03  2.02107E-03
  2.26455E-03  2.52918E-03  2.81563E-03  3.12443E-03  3.45595E-03  3.81035E-03
  4.18760E-03  4.58742E-03  5.00929E-03  5.45241E-03  5.91571E-03  6.39784E-03
  6.89711E-03  7.41159E-03  7.93900E-03  8.47682E-03  9.02223E-03  9.57216E-03
  1.01233E-02  1.06723E-02  1.12153E-02  1.17487E-02  1.22686E-02  1.27711E-02
  1.32524E-02  1.37086E-02  1.41361E-02  1.45314E-02  1.48910E-02  1.52121E-02
  1.54917E-02  1.57274E-02  1.59171E-02  1.60592E-02  1.61522E-02  1.61954E-02
  1.61882E-02  1.61308E-02  1.60237E-02  1.58676E-02  1.56641E-02  1.54148E-02
  1.51221E-02  1.47883E-02  1.44164E-02  1.40096E-02  1.35712E-02  1.31051E-02
  1.26148E-02  1.21044E-02  1.15778E-02  1.10389E-02  1.04916E-02  9.93967E-03
  9.38681E-03  8.83646E-03  8.29187E-03  7.75606E-03  7.23174E-03  6.72137E-03
  6.22711E-03  5.75079E-03  5.29398E-03  4.85791E-03  4.44355E-03  4.05157E-03
  3.68239E-03  3.33617E-03  3.01287E-03  2.71223E-03  2.43381E-03  2.17701E-03
  1.94110E-03  1.72525E-03  1.52852E-03
  1.04910E-03  1.19466E-03  1.35602E-03  1.53420E-03  1.73019E-03  1.94492E-03
  2.17925E-03  2.43394E-03  2.70965E-03  3.00688E-03  3.32598E-03  3.66712E-03
  4.03026E-03  4.41514E-03  4.82126E-03  5.24786E-03  5.69391E-03  6.15810E-03
  6.63883E-03  7.13421E-03  7.64209E-03  8.16001E-03  8.68528E-03  9.21494E-03
  9.74583E-03  1.02746E-02  1.07977E-02  1.13116E-02  1.18125E-02  1.22967E-02
  1.27605E-02  1.32001E-02  1.36121E-02  1.39930E-02  1.43397E-02  1.46491E-02
  1.49185E-02  1.51456E-02  1.53284E-02  1.54652E-02  1.55547E-02  1.55962E-02
  1.55891E-02  1.55336E-02  1.54301E-02  1.52795E-02  1.50831E-02  1.48427E-02
  1.45603E-02  1.42385E-02  1.38800E-02  1.34879E-02  1.30654E-02  1.26162E-02
  1.2143