F-H 

  Atoms and basis sets
  --------------------

  Number of atom types :    2
  Total number of atoms:    2

  label    atoms   charge   prim   cont     basis
  ------------------------------------------------------
  X           1    9.0000    15     5      [6s3p|2s1p]                                        
  H           1    1.0000     3     1      [3s|1s]                                          
  ------------------------------------------------------
  total:      2   10.0000    18     6
  ------------------------------------------------------

  Threshold for neglecting AO integrals:  1.00D-12


   Interatomic separations (in Angstrom):
   --------------------------------------

            X           H     
            ------      ------
 X     :    0.000000
 H     :    1.609031    0.000000


  Max    interatomic separation is    1.6090 Angstrom (    3.0406 Bohr)
  between atoms    2 and    1, "H     " and "X     ".

  Min HX interatomic separation is    1.6090 Angstrom (    3.0406 Bohr)

 **********************************************************************
 *SIRIUS* a direct, restricted step, second order MCSCF program       *
 **********************************************************************

 *** SCF orbital energy analysis ***

 Number of electrons :   10
 Orbital occupations :    5

 Sym       Hartree-Fock orbital energies

1 A     -25.93409628    -1.39796452    -0.46622568    -0.46622568
	 -0.38147430	 0.18888813

    E(LUMO) :     0.18888813 au (symmetry 1)
  - E(HOMO) :    -0.38147430 au (symmetry 1)
  ------------------------------------------
    gap     :     0.57036243 au


                       .-----------------------------------.
                       | --- Final results from SIRIUS --- |
                       `-----------------------------------'



@    Final HF energy:             -98.375109006634                 
@    Nuclear repulsion:             2.959914080930
@    Electronic energy:          -101.335023087564

@    Final gradient norm:           0.000000386410

 
 (Only coefficients > 0.0100 are printed.)

 Molecular orbitals for symmetry species 1  (A  )
 ------------------------------------------------

    Orbital         1        2        3        4        5        6
   1 X   :1s    -0.9951  -0.2623   0.0000   0.0000   0.0267   0.0288
   2 X   :1s    -0.0199   1.0199  -0.0000   0.0000  -0.1331  -0.1457
   3 X   :2px   -0.0005   0.0031   0.0000   0.0000   0.6921  -0.7330
   4 X   :2py    0.0000   0.0000   0.9843   0.1763  -0.0000   0.0000
   5 X   :2pz   -0.0000   0.0000   0.1763  -0.9843   0.0000  -0.0000
   6 H   :1s     0.0014   0.0569   0.0000   0.0000   0.6439   0.7855

  Total CPU  time used in SIRIUS :   0.01 seconds
  Total wall time used in SIRIUS :   0.01 seconds

 
     Date and time (Linux)  : Tue Oct 15 10:43:06 2019
     Host name              : trinity