-----------------------------------------------------------------------
          Psi4: An Open-Source Ab Initio Electronic Structure Package
                               Psi4 1.2.1 release

                         Git: Rev {HEAD} 406f4de 


    R. M. Parrish, L. A. Burns, D. G. A. Smith, A. C. Simmonett,
    A. E. DePrince III, E. G. Hohenstein, U. Bozkaya, A. Yu. Sokolov,
    R. Di Remigio, R. M. Richard, J. F. Gonthier, A. M. James,
    H. R. McAlexander, A. Kumar, M. Saitow, X. Wang, B. P. Pritchard,
    P. Verma, H. F. Schaefer III, K. Patkowski, R. A. King, E. F. Valeev,
    F. A. Evangelista, J. M. Turney, T. D. Crawford, and C. D. Sherrill,
    J. Chem. Theory Comput. 13(7) pp 3185--3197 (2017).
    (doi: 10.1021/acs.jctc.7b00174)


                         Additional Contributions by
    P. Kraus, H. Kruse, M. H. Lechner, M. C. Schieber, and R. A. Shaw

    -----------------------------------------------------------------------


    Psi4 started on: Tuesday, 13 November 2018 03:54PM

    Process ID: 6398
    Host:       g13
    PSIDATADIR: /home/mirna.damergi1/yes/envs/p4env/share/psi4
    Memory:     500.0 MiB
    Threads:    4
    
  ==> Input File <==

--------------------------------------------------------------------------
#  nma and i, R is distance variable for Rvals
memory 1000 mb

molecule dimer {
0 1
 C1     1.098175     1.565263     0.000000  
 H2     0.631555     2.557430     0.000000  
 H3     1.735324     1.460846     0.892506  
 H4     1.735324     1.460846    -0.892506  
 C5     0.000000     0.514178     0.000000  
 O6    -1.206163     0.792232     0.000000  
 N7     0.430929    -0.785971     0.000000  
 H8     1.423106    -0.979872     0.000000  
 C9    -0.527406    -1.884499     0.000000  
 H10   -1.171471    -1.836020     0.890708  
 H11   -1.171471    -1.836020    -0.890708  
 H12    0.025820    -2.832924     0.000000  
--
-1 1
 i   H8   R   N7   180.0   C5   0.0
}


# set the scan variable of R above, ex: distance, manually/automatically assign
# ----------------------------------------------------------------
def frange(start, stop, step):    ## do not change the section of def frange
	i = start
	while i < stop:
		yield i
		i += step
# ----------------------------------------------------------------
# Rvals=[2.5, 3.0, 4.0]           ## manually assign the variable, ex: distance at 2.5, 3.0 and 4.0 anstrom
Rvals=[]
for j in frange(2.0, 4.0, 0.1):   ##  automatically assign the variable; the endpoint will not be performed
	Rvals.append(round(j,2))  ##  decimal is 2



 
# basis set
# ----------------------------------------------------------------
##set basis <basisset>
basis {

   assign H   def2-tzvppd
   assign Li  def2-tzvppd
   assign Be  def2-tzvppd
   assign C   def2-tzvppd
   assign N   def2-tzvppd
   assign O   def2-tzvppd
   assign F   def2-tzvppd

   assign Na  def2-tzvppd
   assign Mg  def2-tzvppd
   assign P   def2-tzvppd
   assign S   def2-tzvppd
   assign Cl  def2-tzvppd

   assign K   def2-tzvppd
   assign Ca  def2-tzvppd
   assign Br  def2-tzvppd
   assign I   def2-tzvppd

}


set guess sad
set scf_type df 
set basis_guess true 
set maxiter 1000 
set mom_start 31 
set diis false 
set soscf true 
set soscf_max_iter 15 
set soscf_conv 1.e-4 
set damping_percentage 20.0
set freeze_core false   ## false for ions
####cp("df-mp2")   ## moved to below


# get the energy at each variable
# ----------------------------------------------------------------------------
# Initialize a blank dictionary of counterpoise corrected energies
# (Need this for the syntax below to work)

ecp = {}
for R in Rvals:
   dimer.R = R
   ecp[R] = energy("mp2", bsse_type = "cp")   ## for new version
   #ecp[R] = cp("df-mp2")                     ## for beta version
   e= ecp[R] * psi_hartree2kcalmol
   psi4.print_out("R, E_int [kcal/mol]: %3.1f   %10.6f\n" % (R, e))


# print out all the energies
# ----------------------------------------------------------------------------
psi4.print_out("\n")
psi4.print_out("CP-corrected interaction energies\n\n")
psi4.print_out("        R [Ang]         E_int [kcal/mol]             \n")
psi4.print_out("-----------------------------------------------------\n")

for R in Rvals:
   e = ecp[R] * psi_hartree2kcalmol
   psi4.print_out("        %3.1f            %10.6f\n" % (R, e))



--------------------------------------------------------------------------

  Memory set to 953.674 MiB by Python driver.
Molecule: geometry: Molecule is not complete, please use 'update_geometry'
                    once all variables are set.

Molecule: Setting a variable updates the molecular geometry, for
          cartesian molecules this can lead to surprising behaviour.
          Freezing COM and orientation to prevent this.

Molecule: Setting geometry variable R to 2.000000


   ===> N-Body Interaction Abacus <===
        BSSE Treatment:                     cp
        Number of 1-body computations:     2
        Number of 2-body computations:     1

   ==> N-Body: Now computing 1-body complexes <==


       N-Body: Computing complex (1/2) with fragments (2,) in the basis of fragments (1, 2).


*** tstart() called on g13
*** at Tue Nov 13 15:54:27 2018


  //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
  //       Guess SCF, 3-21G Basis      //
  //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//

   => Loading Basis Set <=

    Name: 3-21G
    Role: ORBITAL
    Keyword: BASIS
    atoms 1, 5, 9       entry C          line    68 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/3-21g.gbs 
    atoms 2-4, 8, 10-12 entry H          line    21 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/3-21g.gbs 
    atoms 6             entry O          line    90 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/3-21g.gbs 
    atoms 7             entry N          line    79 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/3-21g.gbs 
    atoms 13            entry I          line  1157 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/3-21g.gbs 


         ---------------------------------------------------------
                           SCF Castup computation                  
         ---------------------------------------------------------
                                   SCF
            by Justin Turney, Rob Parrish, Andy Simmonett
                             and Daniel Smith
                              RHF Reference
                        4 Threads,    953 MiB Core
         ---------------------------------------------------------

  ==> Geometry <==

    Molecular point group: cs
    Full point group: Cs

    Geometry (in Angstrom), charge = -1, multiplicity = 1:

       Center              X                  Y                   Z               Mass       
    ------------   -----------------  -----------------  -----------------  -----------------
      Gh(C)           1.098175000000     1.565263000000     0.000000000000    12.000000000000
      Gh(H)           0.631555000000     2.557430000000     0.000000000000     1.007825032070
      Gh(H)           1.735324000000     1.460846000000     0.892506000000     1.007825032070
      Gh(H)           1.735324000000     1.460846000000    -0.892506000000     1.007825032070
      Gh(C)           0.000000000000     0.514178000000     0.000000000000    12.000000000000
      Gh(O)          -1.206163000000     0.792232000000     0.000000000000    15.994914619560
      Gh(N)           0.430929000000    -0.785971000000     0.000000000000    14.003074004780
      Gh(H)           1.423106000000    -0.979872000000     0.000000000000     1.007825032070
      Gh(C)          -0.527406000000    -1.884499000000     0.000000000000    12.000000000000
      Gh(H)          -1.171471000000    -1.836020000000     0.890708000000     1.007825032070
      Gh(H)          -1.171471000000    -1.836020000000    -0.890708000000     1.007825032070
      Gh(H)           0.025820000000    -2.832924000000     0.000000000000     1.007825032070
         I            3.385973498818    -1.363474896346     0.000000000000   126.904472681000

  Running in cs symmetry.

  Rotational constants: A =      0.12971  B =      0.00967  C =      0.00903 [cm^-1]
  Rotational constants: A =   3888.54456  B =    289.96687  C =    270.77134 [MHz]
  Nuclear repulsion =    0.000000000000000

  Charge       = -1
  Multiplicity = 1
  Electrons    = 54
  Nalpha       = 27
  Nbeta        = 27

  ==> Algorithm <==

  SCF Algorithm Type is DF.
  DIIS disabled.
  MOM enabled.
  Fractional occupation disabled.
  Guess Type is SAD.
  Energy threshold   = 1.00e-08
  Density threshold  = 1.00e-08
  Integral threshold = 0.00e+00

  ==> Primary Basis <==

  Basis Set: 3-21G
    Blend: 3-21G
    Number of shells: 52
    Number of basis function: 92
    Number of Cartesian functions: 92
    Spherical Harmonics?: false
    Max angular momentum: 2

   => Loading Basis Set <=

    Name: (3-21G AUX)
    Role: JKFIT
    Keyword: DF_BASIS_SCF
    atoms 1, 5, 9       entry C          line   203 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-svp-jkfit.gbs 
    atoms 2-4, 8, 10-12 entry H          line    23 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-svp-jkfit.gbs 
    atoms 6             entry O          line   323 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-svp-jkfit.gbs 
    atoms 7             entry N          line   263 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-svp-jkfit.gbs 
    atoms 13            entry I          line  4985 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-svp-jkfit.gbs 

  ==> Pre-Iterations <==

   -------------------------------------------------------
    Irrep   Nso     Nmo     Nalpha   Nbeta   Ndocc  Nsocc
   -------------------------------------------------------
     A'        69      69       0       0       0       0
     A"        23      23       0       0       0       0
   -------------------------------------------------------
    Total      92      92      27      27      27       0
   -------------------------------------------------------

  ==> Integral Setup <==

  ==> DiskDFJK: Density-Fitted J/K Matrices <==

    J tasked:                  Yes
    K tasked:                  Yes
    wK tasked:                  No
    OpenMP threads:              4
    Integrals threads:           4
    Memory (MB):               715
    Algorithm:                Core
    Integral Cache:           NONE
    Schwarz Cutoff:          1E-12
    Fitting Condition:       1E-12

   => Auxiliary Basis Set <=

  Basis Set: (3-21G AUX)
    Blend: DEF2-SVP-JKFIT
    Number of shells: 213
    Number of basis function: 902
    Number of Cartesian functions: 902
    Spherical Harmonics?: false
    Max angular momentum: 5

  Minimum eigenvalue in the overlap matrix is 1.3023730459E-03.
  Using Symmetric Orthogonalization.

  SCF Guess: Superposition of Atomic Densities via on-the-fly atomic UHF.

  ==> Iterations <==

                           Total Energy        Delta E     RMS |[F,P]|

   @DF-RHF iter   0: -6990.52431447990239   -6.99052e+03   3.31339e-01 
   @DF-RHF iter   1: -6909.93782353462029    8.05865e+01   2.73218e-02 
   @DF-RHF iter   2: -6910.12247719303105   -1.84654e-01   2.66194e-03 DAMP
   @DF-RHF iter   3: -6910.54511919669858   -4.22642e-01   1.95207e-04 DAMP
   @DF-RHF iter   4: -6910.13935746460083    4.05762e-01   1.14869e-04 SOSCF, nmicro = 6/DAMP
   @DF-RHF iter   5: -6910.14053666376549   -1.17920e-03   2.51222e-05 SOSCF, nmicro = 7/DAMP
   @DF-RHF iter   6: -6910.13080716087188    9.72950e-03   4.74836e-06 SOSCF, nmicro = 3/DAMP
   @DF-RHF iter   7: -6910.12886893112136    1.93823e-03   1.00443e-06 SOSCF, nmicro = 2/DAMP
   @DF-RHF iter   8: -6910.12848128518544    3.87646e-04   2.00886e-07 SOSCF, nmicro = 2/DAMP
   @DF-RHF iter   9: -6910.12840375602354    7.75292e-05   3.95130e-08 SOSCF, nmicro = 2/DAMP
   @DF-RHF iter  10: -6910.12838825017752    1.55058e-05   7.83862e-09 SOSCF, nmicro = 2/DAMP
   @DF-RHF iter  11: -6910.12838514901432    3.10116e-06   1.60709e-09 SOSCF, nmicro = 2/DAMP
   @DF-RHF iter  12: -6910.12838452877895    6.20235e-07   3.11050e-10 SOSCF, nmicro = 2/DAMP
   @DF-RHF iter  13: -6910.12838440473388    1.24045e-07   6.42817e-11 SOSCF, nmicro = 2/DAMP
   @DF-RHF iter  14: -6910.12838437992377    2.48101e-08   1.25553e-11 SOSCF, nmicro = 2/DAMP
   @DF-RHF iter  15: -6910.12838437496430    4.95947e-09   2.56285e-12 SOSCF, nmicro = conv/DAMP

  ==> Post-Iterations <==

    Orbital Energies [Eh]
    ---------------------

    Doubly Occupied:                                                      

       1Ap  -1194.404020     2Ap  -178.172006     1App -168.476448  
       3Ap  -168.444499     4Ap  -168.380719     5Ap   -37.841028  
       2App  -32.939162     6Ap   -32.938743     7Ap   -32.938073  
       8Ap   -22.892428     3App  -22.890636     4App  -22.875373  
       9Ap   -22.867948    10Ap   -22.864401    11Ap    -7.008496  
       5App   -5.135288    12Ap    -5.134282    13Ap    -5.132118  
      14Ap    -1.958596     6App   -1.957576     7App   -1.954816  
      15Ap    -1.953547    16Ap    -1.953029    17Ap    -0.539419  
       8App   -0.100424    18Ap    -0.099994    19Ap    -0.099291  

    Virtual:                                                              

      20Ap     0.275474    21Ap     0.308142    22Ap     0.422804  
      23Ap     0.457333     9App    0.459973    24Ap     0.490962  
      10App    0.501991    25Ap     0.552867    26Ap     0.644600  
      11App    0.667858    27Ap     0.693915    28Ap     0.751162  
      29Ap     0.765639    30Ap     0.777570    12App    0.777932  
      31Ap     0.797149    13App    0.842075    32Ap     0.845878  
      33Ap     0.868181    14App    0.892126    34Ap     0.899798  
      35Ap     0.956691    36Ap     1.043665    15App    1.065807  
      37Ap     1.098117    38Ap     1.217563    16App    1.259737  
      39Ap     1.364673    40Ap     1.450365    41Ap     1.483217  
      42Ap     1.550750    17App    2.315558    43Ap     2.336700  
      18App    2.378066    44Ap     2.408939    45Ap     2.430380  
      46Ap     2.592906    47Ap     2.649126    48Ap     2.762015  
      49Ap     2.918499    50Ap     3.105045    19App    3.385641  
      51Ap     3.392425    52Ap     3.612531    20App    3.647559  
      53Ap     3.649420    21App    3.675008    54Ap     3.705932  
      55Ap     3.778717    56Ap     3.926220    57Ap     4.203085  
      58Ap     4.795070    59Ap     4.870997    22App    5.037789  
      60Ap     5.440339    61Ap     5.668646    23App    6.660568  
      62Ap     6.776144    63Ap     6.855173    64Ap    18.243518  
      65Ap    18.298121    66Ap    18.359323    67Ap    25.539499  
      68Ap    34.014235    69Ap   223.622667  

    Final Occupation by Irrep:
             Ap   App 
    DOCC [    19,    8 ]

  Energy converged.

  @DF-RHF Final Energy: -6910.12838437496430

   => Energetics <=

    Nuclear Repulsion Energy =              0.0000000000000000
    One-Electron Energy =               -9496.3520554828246532
    Two-Electron Energy =                2586.2236711078599001
    Total Energy =                      -6910.1283843749642983


  //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
  //                SCF                //
  //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//

   => Loading Basis Set <=

    Name: ANONYMOUS6CD1B5AA
    Role: ORBITAL
    Keyword: BASIS
    atoms 1, 5, 9       entry C          line   144 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvppd.gbs 
    atoms 2-4, 8, 10-12 entry H          line    14 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvppd.gbs 
    atoms 6             entry O          line   218 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvppd.gbs 
    atoms 7             entry N          line   181 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvppd.gbs 
    atoms 13            entry I          line  2463 (ECP: line  3806) file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvppd.gbs 

    !!!  WARNING: ECP capability is in beta. Please check occupations closely.  !!!


         ---------------------------------------------------------
                                   SCF
            by Justin Turney, Rob Parrish, Andy Simmonett
                             and Daniel Smith
                              RHF Reference
                        4 Threads,    953 MiB Core
         ---------------------------------------------------------

  ==> Geometry <==

    Molecular point group: cs
    Full point group: Cs

    Geometry (in Angstrom), charge = -1, multiplicity = 1:

       Center              X                  Y                   Z               Mass       
    ------------   -----------------  -----------------  -----------------  -----------------
      Gh(C)           1.098175000000     1.565263000000     0.000000000000    12.000000000000
      Gh(H)           0.631555000000     2.557430000000     0.000000000000     1.007825032070
      Gh(H)           1.735324000000     1.460846000000     0.892506000000     1.007825032070
      Gh(H)           1.735324000000     1.460846000000    -0.892506000000     1.007825032070
      Gh(C)           0.000000000000     0.514178000000     0.000000000000    12.000000000000
      Gh(O)          -1.206163000000     0.792232000000     0.000000000000    15.994914619560
      Gh(N)           0.430929000000    -0.785971000000     0.000000000000    14.003074004780
      Gh(H)           1.423106000000    -0.979872000000     0.000000000000     1.007825032070
      Gh(C)          -0.527406000000    -1.884499000000     0.000000000000    12.000000000000
      Gh(H)          -1.171471000000    -1.836020000000     0.890708000000     1.007825032070
      Gh(H)          -1.171471000000    -1.836020000000    -0.890708000000     1.007825032070
      Gh(H)           0.025820000000    -2.832924000000     0.000000000000     1.007825032070
         I            3.385973498818    -1.363474896346     0.000000000000   126.904472681000

  Running in cs symmetry.

  Rotational constants: A =      0.12971  B =      0.00967  C =      0.00903 [cm^-1]
  Rotational constants: A =   3888.54456  B =    289.96687  C =    270.77134 [MHz]
  Nuclear repulsion =    0.000000000000000

  Charge       = -1
  Multiplicity = 1
  Electrons    = 26
  Nalpha       = 13
  Nbeta        = 13

  ==> Algorithm <==

  SCF Algorithm Type is DF.
  DIIS disabled.
  MOM enabled.
  Fractional occupation disabled.
  Guess Type is READ.
  Energy threshold   = 1.00e-08
  Density threshold  = 1.00e-08
  Integral threshold = 0.00e+00

  ==> Primary Basis <==

  Basis Set: ANONYMOUS6CD1B5AA
    Blend: DEF2-TZVPPD
    Number of shells: 134
    Number of basis function: 366
    Number of Cartesian functions: 413
    Spherical Harmonics?: true
    Max angular momentum: 3

  Core potential: ANONYMOUS6CD1B5AA
    Number of shells: 4
    Number of ECP primitives: 29
    Number of ECP core electrons: 28
    Max angular momentum: 3

   => Loading Basis Set <=

    Name: (ANONYMOUS6CD1B5AA AUX)
    Role: JKFIT
    Keyword: DF_BASIS_SCF
    atoms 1, 5, 9       entry C          line   203 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvpp-jkfit.gbs 
    atoms 2-4, 8, 10-12 entry H          line    23 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvpp-jkfit.gbs 
    atoms 6             entry O          line   323 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvpp-jkfit.gbs 
    atoms 7             entry N          line   263 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvpp-jkfit.gbs 
    atoms 13            entry I          line  4985 file /home/mirna.damergi1/yes/envs/p4env/share/psi4/basis/def2-tzvpp-jkfit.gbs 

  Unable to find file 180, defaulting to SAD guess.

  Computing basis projection from 3-21G to ANONYMOUS6CD1B5AA

  ==> Pre-Iterations <==

   -------------------------------------------------------
    Irrep   Nso     Nmo     Nalpha   Nbeta   Ndocc  Nsocc
   -------------------------------------------------------
     A'       236     236       0       0       0       0
     A"       130     130       0       0       0       0
   -------------------------------------------------------
    Total     366     366      13      13      13       0
   -------------------------------------------------------

  ==> Integral Setup <==

  ==> DiskDFJK: Density-Fitted J/K Matrices <==

    J tasked:                  Yes
    K tasked:                  Yes
    wK tasked:                  No
    OpenMP threads:              4
    Integrals threads:           4
    Memory (MB):               715
    Algorithm:                Core
    Integral Cache:           NONE
    Schwarz Cutoff:          1E-12
    Fitting Condition:       1E-12

   => Auxiliary Basis Set <=

  Basis Set: (ANONYMOUS6CD1B5AA AUX)
    Blend: DEF2-TZVPP-JKFIT
    Number of shells: 213
    Number of basis function: 723
    Number of Cartesian functions: 902
    Spherical Harmonics?: true
    Max angular momentum: 5

  Minimum eigenvalue in the overlap matrix is 6.3856186305E-06.
  Using Symmetric Orthogonalization.

  SCF Guess: Orbitals guess was supplied from a previous computation.

  ==> Iterations <==

                           Total Energy        Delta E     RMS |[F,P]|

   @DF-RHF iter   0:   597.81304181219718    5.97813e+02   5.64472e-02 
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter   1:    93.08739147764283   -5.04726e+02   4.66342e-02 
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter   2:    77.29317295150304   -1.57942e+01   1.23010e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter   3:   -92.74699885265319   -1.70040e+02   3.67840e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter   4:    69.24710104539815    1.61994e+02   1.03339e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter   5:   -62.54041913681255   -1.31788e+02   3.82391e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter   6:    68.92580959579398    1.31466e+02   1.02553e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter   7:   -61.33227124215524   -1.30258e+02   3.82970e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter   8:    68.91296345802463    1.30245e+02   1.02521e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter   9:   -61.28394655444453   -1.30197e+02   3.82994e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  10:    68.91244967308526    1.30196e+02   1.00584e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  11:   -61.28201357771378   -1.30194e+02   3.82994e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  12:    68.91242912243236    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  13:   -61.28193625810039   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  14:    68.91242830039732    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  15:   -61.28193316704345   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  16:    68.91242826753677    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  17:   -61.28193304382370   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  18:    68.91242826616410    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  19:   -61.28193303843059   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  20:    68.91242826618237    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  21:   -61.28193303886189   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  22:    68.91242826610141    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  23:   -61.28193303820685   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  24:    68.91242826617396    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  25:   -61.28193303709418   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  26:    68.91242826615581    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  27:   -61.28193303746206   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  28:    68.91242826616576    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  29:   -61.28193303674392   -1.30194e+02   3.82995e-02 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    19,    8 ]

   @DF-RHF iter  30:    68.91242826615300    1.30194e+02   1.02520e-01 DAMP
    Occupation by irrep:
             Ap   App 
    DOCC [    18,    9 ]

   @DF-RHF iter  31:   -61.28193303841245   -1.30194e+02   3.82995e-02 MOM/DAMP
   @DF-RHF iter  32:    68.91242826614931    1.30194e+02   1.02520e-01 MOM/DAMP
   @DF-RHF iter  33:    69.94795272753228    1.03552e+00   2.59944e-02 MOM/DAMP
   @DF-RHF iter  34:    28.75782300041763   -4.11901e+01   1.96243e-02 MOM/DAMP
   @DF-RHF iter  35:    -6.30986018089152   -3.50677e+01   4.56756e-02 MOM/DAMP
   @DF-RHF iter  36:   -45.80292790746866   -3.94931e+01   2.99313e-02 MOM/DAMP
   @DF-RHF iter  37:   -59.92736347004595   -1.41244e+01   2.45295e-02 MOM/DAMP
   @DF-RHF iter  38:   -79.28264614722127   -1.93553e+01   2.07430e-02 MOM/DAMP
   @DF-RHF iter  39:  -102.64482686657625   -2.33622e+01   1.78119e-02 MOM/DAMP
   @DF-RHF iter  40:  -107.75953532393697   -5.11471e+00   3.01357e-02 MOM/DAMP
   @DF-RHF iter  41:   -91.20446272877663    1.65551e+01   2.45831e-02 MOM/DAMP
   @DF-RHF iter  42:  -104.39447880743000   -1.31900e+01   4.99797e-02 MOM/DAMP
   @DF-RHF iter  43:   -35.80989610869344    6.85846e+01   6.97050e-02 MOM/DAMP
   @DF-RHF iter  44:  -100.19642048382732   -6.43865e+01   4.67293e-02 MOM/DAMP
   @DF-RHF iter  45:   -59.47973106813407    4.07167e+01   4.03196e-02 MOM/DAMP
   @DF-RHF iter  46:   -95.36765079168990   -3.58879e+01   4.04963e-02 MOM/DAMP
   @DF-RHF iter  47:   -46.64024496968474    4.87274e+01   3.01846e-02 MOM/DAMP
   @DF-RHF iter  48:   -65.97824749660936   -1.93380e+01   1.86736e-02 MOM/DAMP
   @DF-RHF iter  49:   -49.65765604595708    1.63206e+01   1.96431e-02 MOM/DAMP
   @DF-RHF iter  50:   -71.93757337684551   -2.22799e+01   1.47684e-02 MOM/DAMP
   @DF-RHF iter  51:   -73.80299943858650   -1.86543e+00   2.27862e-02 MOM/DAMP
   @DF-RHF iter  52:   -47.04888832500946    2.67541e+01   3.96227e-02 MOM/DAMP
   @DF-RHF iter  53:   -96.70603939419316   -4.96572e+01   2.36934e-02 MOM/DAMP
   @DF-RHF iter  54:   -99.11479064311949   -2.40875e+00   1.84913e-02 MOM/DAMP
   @DF-RHF iter  55:   -98.67339705986967    4.41394e-01   1.10847e-02 MOM/DAMP
   @DF-RHF iter  56:   -88.00898339306048    1.06644e+01   3.81784e-02 MOM/DAMP
   @DF-RHF iter  57:   -46.28804227961805    4.17209e+01   1.74966e-02 MOM/DAMP
   @DF-RHF iter  58:   -42.13974726376675    4.14830e+00   1.80782e-02 MOM/DAMP
   @DF-RHF iter  59:   -51.61388704948923   -9.47414e+00   2.96954e-02 MOM/DAMP
   @DF-RHF iter  60:   -78.38054083060211   -2.67667e+01   1.77041e-02 MOM/DAMP
   @DF-RHF iter  61:   -49.33041182249253    2.90501e+01   2.42897e-02 MOM/DAMP
   @DF-RHF iter  62:   -81.53607643722151   -3.22057e+01   1.75731e-02 MOM/DAMP
   @DF-RHF iter  63:  -101.04497272562294   -1.95089e+01   2.47349e-02 MOM/DAMP
   @DF-RHF iter  64:   -97.65346944492455    3.39150e+00   3.27283e-02 MOM/DAMP
   @DF-RHF iter  65:   -77.69067590482683    1.99628e+01   2.35939e-02 MOM/DAMP
   @DF-RHF iter  66:   -76.51819580048631    1.17248e+00   2.33024e-02 MOM/DAMP
   @DF-RHF iter  67:  -107.61811183938818   -3.10999e+01   1.33611e-02 MOM/DAMP
   @DF-RHF iter  68:   -65.69073306599392    4.19274e+01   1.68353e-02 MOM/DAMP
   @DF-RHF iter  69:   -80.73294981636137   -1.50422e+01   4.39615e-02 MOM/DAMP
   @DF-RHF iter  70:  -110.17931190476578   -2.94464e+01   2.43395e-02 MOM/DAMP
   @DF-RHF iter  71:   -90.28864860600041    1.98907e+01   1.38223e-02 MOM/DAMP
   @DF-RHF iter  72:   -86.16708721901819    4.12156e+00   3.96761e-02 MOM/DAMP
   @DF-RHF iter  73:   -48.28355968354358    3.78835e+01   1.87189e-02 MOM/DAMP
   @DF-RHF iter  74:   -76.87851548857216   -2.85950e+01   1.53514e-02 MOM/DAMP
   @DF-RHF iter  75:   -91.29949560038435   -1.44210e+01   1.26213e-02 MOM/DAMP
   @DF-RHF iter  76:   -93.54010830081614   -2.24061e+00   3.09309e-02 MOM/DAMP
   @DF-RHF iter  77:  -107.57594847265433   -1.40358e+01   2.13557e-02 MOM/DAMP
   @DF-RHF iter  78:   -88.17319459901398    1.94028e+01   3.51527e-02 MOM/DAMP
   @DF-RHF iter  79:  -104.40775508764447   -1.62346e+01   4.01420e-02 MOM/DAMP
   @DF-RHF iter  80:   -61.49674078903752    4.29110e+01   3.57306e-02 MOM/DAMP
   @DF-RHF iter  81:   -81.62119891662205   -2.01245e+01   3.80329e-02 MOM/DAMP
   @DF-RHF iter  82:   -50.35058862584938    3.12706e+01   4.75623e-02 MOM/DAMP
   @DF-RHF iter  83:   -93.40832620421000   -4.30577e+01   3.93090e-02 MOM/DAMP
   @DF-RHF iter  84:   -61.83980011282799    3.15685e+01   2.41880e-02 MOM/DAMP
   @DF-RHF iter  85:   -92.09923963632919   -3.02594e+01   3.28108e-02 MOM/DAMP
   @DF-RHF iter  86:  -106.71719088735604   -1.46180e+01   3.23942e-02 MOM/DAMP
   @DF-RHF iter  87:   -81.01162408800367    2.57056e+01   4.51504e-02 MOM/DAMP
   @DF-RHF iter  88:  -104.83171870140387   -2.38201e+01   2.91992e-02 MOM/DAMP
   @DF-RHF iter  89:   -99.31867332299817    5.51305e+00   1.90690e-02 MOM/DAMP
   @DF-RHF iter  90:   -72.75317177286452    2.65655e+01   1.41024e-02 MOM/DAMP
   @DF-RHF iter  91:  -103.43408505207766   -3.06809e+01   1.32033e-02 MOM/DAMP
   @DF-RHF iter  92:   -93.73768034441613    9.69640e+00   1.86383e-02 MOM/DAMP
   @DF-RHF iter  93:  -105.83192839062309   -1.20942e+01   1.08622e-02 MOM/DAMP
   @DF-RHF iter  94:   -84.56767425549199    2.12643e+01   1.48445e-02 MOM/DAMP
   @DF-RHF iter  95:   -88.23221649089560   -3.66454e+00   3.76513e-02 MOM/DAMP
   @DF-RHF iter  96:   -65.35917884132719    2.28730e+01   1.48132e-02 MOM/DAMP
   @DF-RHF iter  97:   -84.83379300672814   -1.94746e+01   2.49887e-02 MOM/DAMP
   @DF-RHF iter  98:   -88.29166135100188   -3.45787e+00   2.06941e-02 MOM/DAMP
   @DF-RHF iter  99:   -76.44667270602369    1.18450e+01   1.44047e-02 MOM/DAMP
   @DF-RHF iter 100:   -72.09478966584282    4.35188e+00   4.67185e-02 MOM/DAMP
   @DF-RHF iter 101:  -116.79525226258590   -4.47005e+01   2.10738e-02 MOM/DAMP
   @DF-RHF iter 102:   -86.30849846738558    3.04868e+01   2.46942e-02 MOM/DAMP
   @DF-RHF iter 103:  -106.60873697032407   -2.03002e+01   3.31858e-02 MOM/DAMP
   @DF-RHF iter 104:   -99.29552197676858    7.31321e+00   2.50307e-02 MOM/DAMP
   @DF-RHF iter 105:  -100.86528674021575   -1.56976e+00   2.49656e-02 MOM/DAMP
   @DF-RHF iter 106:   -83.25390400180285    1.76114e+01   2.05391e-02 MOM/DAMP
   @DF-RHF iter 107:  -103.06778508429153   -1.98139e+01   1.86128e-02 MOM/DAMP
   @DF-RHF iter 108:   -72.34256492773977    3.07252e+01   3.15811e-02 MOM/DAMP
   @DF-RHF iter 109:   -91.64383272793356   -1.93013e+01   2.12193e-02 MOM/DAMP
   @DF-RHF iter 110:   -86.54436465845517    5.09947e+00   4.08501e-02 MOM/DAMP
   @DF-RHF iter 111:  -118.18070150626636   -3.16363e+01   3.43961e-02 MOM/DAMP
   @DF-RHF iter 112:   -87.64346816179238    3.05372e+01   1.61999e-02 MOM/DAMP
   @DF-RHF iter 113:   -68.40539935534946    1.92381e+01   2.97591e-02 MOM/DAMP
   @DF-RHF iter 114:   -86.50310917866472   -1.80977e+01   3.91602e-02 MOM/DAMP
   @DF-RHF iter 115:   -66.73307379275106    1.97700e+01   1.24646e-02 MOM/DAMP
   @DF-RHF iter 116:   -58.44940067940834    8.28367e+00   3.43064e-02 MOM/DAMP
   @DF-RHF iter 117:   -82.73952268878790   -2.42901e+01   3.87243e-02 MOM/DAMP
   @DF-RHF iter 118:   -59.67982346044668    2.30597e+01   4.09674e-02 MOM/DAMP
   @DF-RHF iter 119:   -83.93536494842722   -2.42555e+01   2.19147e-02 MOM/DAMP
   @DF-RHF iter 120:  -110.69522519797681   -2.67599e+01   1.43404e-02 MOM/DAMP
   @DF-RHF iter 121:  -107.93718452090604    2.75804e+00   3.47334e-02 MOM/DAMP
   @DF-RHF iter 122:   -80.38009619600791    2.75571e+01   2.42423e-02 MOM/DAMP
   @DF-RHF iter 123:   -87.36983713911843   -6.98974e+00   2.74538e-02 MOM/DAMP
   @DF-RHF iter 124:   -66.28710468178134    2.10827e+01   3.18174e-02 MOM/DAMP
   @DF-RHF iter 125:   -93.88131296537402   -2.75942e+01   1.44239e-02 MOM/DAMP
   @DF-RHF iter 126:   -94.78915834872518   -9.07845e-01   1.90354e-02 MOM/DAMP
   @DF-RHF iter 127:  -103.67321208733215   -8.88405e+00   1.63660e-02 MOM/DAMP
   @DF-RHF iter 128:   -92.09598334114268    1.15772e+01   1.26042e-02 MOM/DAMP
   @DF-RHF iter 129:  -103.16562614276378   -1.10696e+01   1.59393e-02 MOM/DAMP
   @DF-RHF iter 130:   -92.62626790371340    1.05394e+01   1.63934e-02 MOM/DAMP
   @DF-RHF iter 131:  -107.96096268292081   -1.53347e+01   1.47201e-02 MOM/DAMP
   @DF-RHF iter 132:   -95.70861227542480    1.22524e+01   1.99503e-02 MOM/DAMP
   @DF-RHF iter 133:  -115.62398249929498   -1.99154e+01   1.83312e-02 MOM/DAMP
   @DF-RHF iter 134:   -89.41795810397765    2.62060e+01   1.72123e-02 MOM/DAMP
   @DF-RHF iter 135:  -102.98748972896490   -1.35695e+01   1.12343e-02 MOM/DAMP
   @DF-RHF iter 136:   -88.03125890075313    1.49562e+01   1.70671e-02 MOM/DAMP
   @DF-RHF iter 137:   -79.07996526747024    8.95129e+00   4.61855e-02 MOM/DAMP
   @DF-RHF iter 138:  -104.58685165569801   -2.55069e+01   2.39538e-02 MOM/DAMP
   @DF-RHF iter 139:   -92.90085941698317    1.16860e+01   1.64619e-02 MOM/DAMP
   @DF-RHF iter 140:  -101.44426359745356   -8.54340e+00   2.45519e-02 MOM/DAMP
   @DF-RHF iter 141:  -117.87068412400455   -1.64264e+01   2.16309e-02 MOM/DAMP
   @DF-RHF iter 142:   -87.74295008436863    3.01277e+01   2.50667e-02 MOM/DAMP
   @DF-RHF iter 143:  -106.90358232236666   -1.91606e+01   4.24422e-02 MOM/DAMP
   @DF-RHF iter 144:   -85.61450995106054    2.12891e+01   2.12249e-02 MOM/DAMP
   @DF-RHF iter 145:   -82.04158773864492    3.57292e+00   1.45579e-02 MOM/DAMP
   @DF-RHF iter 146:  -110.86297660416190   -2.88214e+01   1.32743e-02 MOM/DAMP
   @DF-RHF iter 147:   -81.38695567287141    2.94760e+01   3.46661e-02 MOM/DAMP
   @DF-RHF iter 148:  -103.34989799406640   -2.19629e+01   2.54977e-02 MOM/DAMP
   @DF-RHF iter 149:   -92.76647158380382    1.05834e+01   2.81342e-02 MOM/DAMP
   @DF-RHF iter 150:  -104.24051757429859   -1.14740e+01   1.18805e-02 MOM/DAMP
   @DF-RHF iter 151:  -110.33511875465081   -6.09460e+00   3.48972e-02 MOM/DAMP
   @DF-RHF iter 152:   -86.36260426195336    2.39725e+01   3.10816e-02 MOM/DAMP
   @DF-RHF iter 153:  -105.69582134916975   -1.93332e+01   3.63859e-02 MOM/DAMP
   @DF-RHF iter 154:   -58.78399591400793    4.69118e+01   2.36474e-02 MOM/DAMP
   @DF-RHF iter 155:   -81.92137772674916   -2.31374e+01   1.73328e-02 MOM/DAMP
   @DF-RHF iter 156:   -93.26979921083306   -1.13484e+01   4.33665e-02 MOM/DAMP
   @DF-RHF iter 157:  -122.95195091510114   -2.96822e+01   2.77855e-02 MOM/DAMP
   @DF-RHF iter 158:   -89.79697917207756    3.31550e+01   2.49373e-02 MOM/DAMP
   @DF-RHF iter 159:  -101.60520266181376   -1.18082e+01   2.02759e-02 MOM/DAMP
   @DF-RHF iter 160:   -97.35786811934203    4.24733e+00   2.56108e-02 MOM/DAMP
   @DF-RHF iter 161:  -123.26903399260175   -2.59112e+01   2.08413e-02 MOM/DAMP
   @DF-RHF iter 162:   -98.28346653052489    2.49856e+01   1.29300e-02 MOM/DAMP
   @DF-RHF iter 163:  -107.21448872306222   -8.93102e+00   5.52131e-02 MOM/DAMP
   @DF-RHF iter 164:   -32.24919558213855    7.49653e+01   3.10295e-02 MOM/DAMP
   @DF-RHF iter 165:   -40.84240126712466   -8.59321e+00   5.18588e-02 MOM/DAMP
   @DF-RHF iter 166:   -62.64714980908848   -2.18047e+01   4.63564e-02 MOM/DAMP
   @DF-RHF iter 167:   -43.49576937707732    1.91514e+01   7.83635e-02 MOM/DAMP
   @DF-RHF iter 168:   -89.64741831329731   -4.61516e+01   3.10150e-02 MOM/DAMP
   @DF-RHF iter 169:  -103.65480459797203   -1.40074e+01   1.79279e-02 MOM/DAMP
   @DF-RHF iter 170:   -96.28320954945411    7.37160e+00   4.03615e-02 MOM/DAMP
   @DF-RHF iter 171:  -115.60709884848778   -1.93239e+01   1.68856e-02 MOM/DAMP
   @DF-RHF iter 172:  -105.46112172965542    1.01460e+01   2.90135e-02 MOM/DAMP
   @DF-RHF iter 173:   -93.09576311241129    1.23654e+01   1.47918e-02 MOM/DAMP
   @DF-RHF iter 174:   -80.80220246796348    1.22936e+01   1.09362e-02 MOM/DAMP
   @DF-RHF iter 175:   -76.74975839458577    4.05244e+00   1.41173e-02 MOM/DAMP
   @DF-RHF iter 176:   -85.13229710760598   -8.38254e+00   1.43997e-02 MOM/DAMP
   @DF-RHF iter 177:   -96.48638103903592   -1.13541e+01   1.18673e-02 MOM/DAMP
   @DF-RHF iter 178:   -78.98295806625616    1.75034e+01   2.94847e-02 MOM/DAMP
   @DF-RHF iter 179:  -111.07116576018770   -3.20882e+01   3.13531e-02 MOM/DAMP
   @DF-RHF iter 180:   -80.95663573978072    3.01145e+01   1.96740e-02 MOM/DAMP
   @DF-RHF iter 181:   -64.81257002398550    1.61441e+01   1.69006e-02 MOM/DAMP
   @DF-RHF iter 182:   -88.71007602764655   -2.38975e+01   1.59226e-02 MOM/DAMP
   @DF-RHF iter 183:   -81.04498608561515    7.66509e+00   3.66269e-02 MOM/DAMP
   @DF-RHF iter 184:  -120.67558102490264   -3.96306e+01   3.72448e-02 MOM/DAMP
   @DF-RHF iter 185:   -88.14497230787569    3.25306e+01   1.83088e-02 MOM/DAMP
   @DF-RHF iter 186:  -103.14420672362797   -1.49992e+01   1.20405e-02 MOM/DAMP
   @DF-RHF iter 187:   -96.91270736666186    6.23150e+00   1.44113e-02 MOM/DAMP
   @DF-RHF iter 188:   -94.41613936369077    2.49657e+00   1.37979e-02 MOM/DAMP
   @DF-RHF iter 189:   -89.52700131927179    4.88914e+00   1.82038e-02 MOM/DAMP
   @DF-RHF iter 190:   -88.99956742376207    5.27434e-01   3.34765e-02 MOM/DAMP
   @DF-RHF iter 191:  -110.79347623966073   -2.17939e+01   3.85604e-02 MOM/DAMP
   @DF-RHF iter 192:  -108.05223982758918    2.74124e+00   2.19521e-02 MOM/DAMP
   @DF-RHF iter 193:  -103.86138380429674    4.19086e+00   1.12935e-02 MOM/DAMP
   @DF-RHF iter 194:   -85.19387960178278    1.86675e+01   2.87769e-02 MOM/DAMP
   @DF-RHF iter 195:  -123.79521690079991   -3.86013e+01   2.36250e-02 MOM/DAMP
   @DF-RHF iter 196:  -103.86323754774740    1.99320e+01   2.51020e-02 MOM/DAMP
   @DF-RHF iter 197:   -86.09256761562486    1.77707e+01   3.07907e-02 MOM/DAMP
   @DF-RHF iter 198:  -111.44547186873427   -2.53529e+01   2.89654e-02 MOM/DAMP
   @DF-RHF iter 199:   -85.38079590807929    2.60647e+01   1.43816e-02 MOM/DAMP
   @DF-RHF iter 200:   -91.95964852295729   -6.57885e+00   1.78895e-02 MOM/DAMP
   @DF-RHF iter 201:   -93.90567510116118   -1.94603e+00   3.14074e-02 MOM/DAMP
   @DF-RHF iter 202:  -114.03847883717422   -2.01328e+01   2.11845e-02 MOM/DAMP
   @DF-RHF iter 203:   -93.59036967462846    2.04481e+01   1.06362e-02 MOM/DAMP
   @DF-RHF iter 204:   -99.47395723867470   -5.88359e+00   1.42705e-02 MOM/DAMP
   @DF-RHF iter 205:  -110.70882132171759   -1.12349e+01   1.22508e-02 MOM/DAMP
   @DF-RHF iter 206:   -82.66156048257864    2.80473e+01   1.12202e-02 MOM/DAMP
   @DF-RHF iter 207:  -112.87850547130780   -3.02169e+01   1.39191e-02 MOM/DAMP
   @DF-RHF iter 208:   -89.14280227353092    2.37357e+01   3.55783e-02 MOM/DAMP
   @DF-RHF iter 209:   -79.81656722608309    9.32624e+00   1.67839e-02 MOM/DAMP
   @DF-RHF iter 210:   -85.60537488080206   -5.78881e+00   1.65051e-02 MOM/DAMP
   @DF-RHF iter 211:  -102.16088365250067   -1.65555e+01   3.70764e-02 MOM/DAMP
   @DF-RHF iter 212:  -107.39955216841290   -5.23867e+00   3.63073e-02 MOM/DAMP
   @DF-RHF iter 213:   -93.44408050950288    1.39555e+01   1.99562e-02 MOM/DAMP
   @DF-RHF iter 214:  -102.10899249162577   -8.66491e+00   2.28442e-02 MOM/DAMP
   @DF-RHF iter 215:   -76.83849500091452    2.52705e+01   6.18513e-02 MOM/DAMP
   @DF-RHF iter 216:  -121.15254966831341   -4.43141e+01   5.40961e-02 MOM/DAMP
   @DF-RHF iter 217:   -71.45958044769262    4.96930e+01   4.51064e-02 MOM/DAMP
   @DF-RHF iter 218:  -101.93299596301054   -3.04734e+01   1.55302e-02 MOM/DAMP
   @DF-RHF iter 219:  -118.67912131447480   -1.67461e+01   7.67865e-03 MOM/DAMP
   @DF-RHF iter 220:   -87.42433734106265    3.12548e+01   1.62823e-02 SOSCF, nmicro = 15/MOM/DAMP
   @DF-RHF iter 221:   -93.37301152854323   -5.94867e+00   5.35454e-02 MOM/DAMP
   @DF-RHF iter 222:  -136.38730562019413   -4.30143e+01   6.59627e-02 MOM/DAMP
   @DF-RHF iter 223:   -61.47500582107087    7.49123e+01   3.63651e-02 MOM/DAMP
   @DF-RHF iter 224:   -95.59482168982477   -3.41198e+01   2.65848e-02 MOM/DAMP
   @DF-RHF iter 225:   -75.35574908449691    2.02391e+01   2.11163e-02 MOM/DAMP
   @DF-RHF iter 226:  -102.59513816360722   -2.72394e+01   1.27183e-02 MOM/DAMP
   @DF-RHF iter 227:   -72.33396616630870    3.02612e+01   8.17923e-03 MOM/DAMP
   @DF-RHF iter 228:   -61.37924571063020    1.09547e+01   1.18358e-02 SOSCF, nmicro = 15/MOM/DAMP
   @DF-RHF iter 229:   -62.89526798923723   -1.51602e+00   1.70353e-02 MOM/DAMP
   @DF-RHF iter 230:   -99.40015237576608   -3.65049e+01   1.29356e-02 MOM/DAMP
   @DF-RHF iter 231:  -112.66317954899044   -1.32630e+01   2.01111e-02 MOM/DAMP
   @DF-RHF iter 232:   -68.23431637809114    4.44289e+01   2.33270e-02 MOM/DAMP
   @DF-RHF iter 233:  -105.21411562896957   -3.69798e+01   1.79177e-02 MOM/DAMP
   @DF-RHF iter 234:   -89.26063039582475    1.59535e+01   2.64096e-02 MOM/DAMP
   @DF-RHF iter 235:  -110.78374211428414   -2.15231e+01   2.74972e-02 MOM/DAMP
   @DF-RHF iter 236:   -87.08650447792671    2.36972e+01   2.12378e-02 MOM/DAMP
   @DF-RHF iter 237:  -106.96664761646360   -1.98801e+01   2.36284e-02 MOM/DAMP
   @DF-RHF iter 238:   -87.00084127055948    1.99658e+01   1.50792e-02 MOM/DAMP
   @DF-RHF iter 239:   -92.69566168452377   -5.69482e+00   1.28332e-02 MOM/DAMP
   @DF-RHF iter 240:   -71.24431421190428    2.14513e+01   2.02002e-02 MOM/DAMP
   @DF-RHF iter 241:   -96.06905801377380   -2.48247e+01   2.65473e-02 MOM/DAMP
   @DF-RHF iter 242:   -94.00924271838520    2.05982e+00   2.54909e-02 MOM/DAMP
   @DF-RHF iter 243:  -116.02565827455048   -2.20164e+01   1.19878e-02 MOM/DAMP
   @DF-RHF iter 244:   -91.33355675046695    2.46921e+01   1.55551e-02 MOM/DAMP
   @DF-RHF iter 245:  -109.63769327962576   -1.83041e+01   1.36531e-02 MOM/DAMP
   @DF-RHF iter 246:   -83.94332932830227    2.56944e+01   2.09276e-02 MOM/DAMP
   @DF-RHF iter 247:  -113.67808748592499   -2.97348e+01   1.92211e-02 MOM/DAMP
   @DF-RHF iter 248:   -94.45253066473506    1.92256e+01   1.73704e-02 MOM/DAMP
   @DF-RHF iter 249:  -120.58413557159402   -2.61316e+01   1.48403e-02 MOM/DAMP
   @DF-RHF iter 250:  -100.59198753812180    1.99921e+01   2.11097e-02 MOM/DAMP
   @DF-RHF iter 251:   -92.04972289154692    8.54226e+00   1.69415e-02 MOM/DAMP
   @DF-RHF iter 252:   -92.22668605199419   -1.76963e-01   2.86943e-02 MOM/DAMP
   @DF-RHF iter 253:   -94.38146212156364   -2.15478e+00   3.36434e-02 MOM/DAMP
   @DF-RHF iter 254:  -110.28482504103175   -1.59034e+01   2.34935e-02 MOM/DAMP
   @DF-RHF iter 255:   -80.02659725969681    3.02582e+01   1.41217e-02 MOM/DAMP
   @DF-RHF iter 256:   -94.24010572941117   -1.42135e+01   2.71687e-02 MOM/DAMP
   @DF-RHF iter 257:  -103.93493489755956   -9.69483e+00   2.35385e-02 MOM/DAMP
   @DF-RHF iter 258:   -79.05687423787242    2.48781e+01   2.94701e-02 MOM/DAMP
   @DF-RHF iter 259:  -110.89174131299950   -3.18349e+01   1.82089e-02 MOM/DAMP
   @DF-RHF iter 260:   -96.74319917266899    1.41485e+01   1.73315e-02 MOM/DAMP
   @DF-RHF iter 261:   -75.27560976409691    2.14676e+01   1.31254e-02 MOM/DAMP
   @DF-RHF iter 262:  -102.12914911300818   -2.68535e+01   2.02504e-02 MOM/DAMP
   @DF-RHF iter 263:   -77.93707061625014    2.41921e+01   2.77239e-02 MOM/DAMP
   @DF-RHF iter 264:   -80.10891747404958   -2.17185e+00   3.76123e-02 MOM/DAMP
   @DF-RHF iter 265:  -101.99893856127636   -2.18900e+01   2.27201e-02 MOM/DAMP
   @DF-RHF iter 266:   -71.60011870863445    3.03988e+01   8.81026e-03 MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 267:   -82.73836391447405   -1.11382e+01   1.81181e-02 MOM/DAMP
   @DF-RHF iter 268:   -91.95210881177269   -9.21374e+00   2.58957e-02 MOM/DAMP
   @DF-RHF iter 269:   -76.11748245344373    1.58346e+01   2.82705e-02 MOM/DAMP
   @DF-RHF iter 270:  -110.12805809020708   -3.40106e+01   4.00299e-02 MOM/DAMP
   @DF-RHF iter 271:   -59.13540007071541    5.09927e+01   1.81169e-02 MOM/DAMP
   @DF-RHF iter 272:   -70.58645643137640   -1.14511e+01   3.85919e-02 MOM/DAMP
   @DF-RHF iter 273:   -95.53333984846205   -2.49469e+01   2.12420e-02 MOM/DAMP
   @DF-RHF iter 274:   -80.21290529069331    1.53204e+01   4.29467e-02 MOM/DAMP
   @DF-RHF iter 275:  -106.03641976335784   -2.58235e+01   2.82471e-02 MOM/DAMP
   @DF-RHF iter 276:   -88.75943670184573    1.72770e+01   1.73431e-02 MOM/DAMP
   @DF-RHF iter 277:   -93.41199295570676   -4.65256e+00   4.20687e-02 MOM/DAMP
   @DF-RHF iter 278:   -45.38016138148236    4.80318e+01   2.18283e-02 MOM/DAMP
   @DF-RHF iter 279:   -61.61003954013490   -1.62299e+01   6.83422e-02 MOM/DAMP
   @DF-RHF iter 280:   -89.31908396496979   -2.77090e+01   6.66230e-02 MOM/DAMP
   @DF-RHF iter 281:   -34.68033798217498    5.46387e+01   5.67087e-02 MOM/DAMP
   @DF-RHF iter 282:   -78.38145796963506   -4.37011e+01   2.69720e-02 MOM/DAMP
   @DF-RHF iter 283:   -69.87705614102555    8.50440e+00   5.33462e-02 MOM/DAMP
   @DF-RHF iter 284:  -117.02966791141201   -4.71526e+01   2.85575e-02 MOM/DAMP
   @DF-RHF iter 285:   -86.46893298612936    3.05607e+01   1.92369e-02 MOM/DAMP
   @DF-RHF iter 286:   -94.08672919658490   -7.61780e+00   4.59174e-02 MOM/DAMP
   @DF-RHF iter 287:  -113.98333443906242   -1.98966e+01   5.18301e-02 MOM/DAMP
   @DF-RHF iter 288:   -73.31609525960774    4.06672e+01   1.70118e-02 MOM/DAMP
   @DF-RHF iter 289:   -69.19116746922720    4.12493e+00   3.01823e-02 MOM/DAMP
   @DF-RHF iter 290:   -85.64029638046370   -1.64491e+01   2.16265e-02 MOM/DAMP
   @DF-RHF iter 291:   -79.90849485920972    5.73180e+00   2.06975e-02 MOM/DAMP
   @DF-RHF iter 292:   -73.00018516548622    6.90831e+00   3.05559e-02 MOM/DAMP
   @DF-RHF iter 293:  -107.08995150199277   -3.40898e+01   2.21501e-02 MOM/DAMP
   @DF-RHF iter 294:   -94.23976747440194    1.28502e+01   2.63318e-02 MOM/DAMP
   @DF-RHF iter 295:  -111.62259585281163   -1.73828e+01   1.79630e-02 MOM/DAMP
   @DF-RHF iter 296:   -95.76848349707686    1.58541e+01   1.02076e-02 MOM/DAMP
   @DF-RHF iter 297:   -84.95119769433119    1.08173e+01   3.39839e-02 MOM/DAMP
   @DF-RHF iter 298:  -109.77422705852362   -2.48230e+01   3.69868e-02 MOM/DAMP
   @DF-RHF iter 299:   -90.04890061427636    1.97253e+01   3.11540e-02 MOM/DAMP
   @DF-RHF iter 300:  -100.96552749822686   -1.09166e+01   2.02776e-02 MOM/DAMP
   @DF-RHF iter 301:  -114.78379485984775   -1.38183e+01   2.33672e-02 MOM/DAMP
   @DF-RHF iter 302:   -97.38397877333020    1.73998e+01   1.77091e-02 MOM/DAMP
   @DF-RHF iter 303:  -111.89292561129088   -1.45089e+01   2.11384e-02 MOM/DAMP
   @DF-RHF iter 304:  -104.26871964563438    7.62421e+00   3.41887e-02 MOM/DAMP
   @DF-RHF iter 305:   -82.60360246646363    2.16651e+01   1.99962e-02 MOM/DAMP
   @DF-RHF iter 306:  -108.98013259370488   -2.63765e+01   1.86080e-02 MOM/DAMP
   @DF-RHF iter 307:   -83.54887129004214    2.54313e+01   2.67554e-02 MOM/DAMP
   @DF-RHF iter 308:  -104.00268771288171   -2.04538e+01   3.01670e-02 MOM/DAMP
   @DF-RHF iter 309:   -64.61144396214938    3.93912e+01   2.14819e-02 MOM/DAMP
   @DF-RHF iter 310:   -91.53200040626444   -2.69206e+01   2.43584e-02 MOM/DAMP
   @DF-RHF iter 311:   -64.01589056363022    2.75161e+01   1.99271e-02 MOM/DAMP
   @DF-RHF iter 312:   -63.45619350406888    5.59697e-01   1.25955e-02 MOM/DAMP
   @DF-RHF iter 313:   -56.57439143296799    6.88180e+00   1.93280e-02 MOM/DAMP
   @DF-RHF iter 314:   -79.67400521835204   -2.30996e+01   3.15223e-02 MOM/DAMP
   @DF-RHF iter 315:   -76.73001545354347    2.94399e+00   3.09944e-02 MOM/DAMP
   @DF-RHF iter 316:  -103.95459827017814   -2.72246e+01   1.25380e-02 MOM/DAMP
   @DF-RHF iter 317:  -109.51959106430546   -5.56499e+00   1.05020e-02 MOM/DAMP
   @DF-RHF iter 318:   -93.49091674668631    1.60287e+01   1.88147e-02 MOM/DAMP
   @DF-RHF iter 319:  -119.55997392956667   -2.60691e+01   1.87544e-02 MOM/DAMP
   @DF-RHF iter 320:   -77.21450583894176    4.23455e+01   1.01605e-02 MOM/DAMP
   @DF-RHF iter 321:   -98.05460255437356   -2.08401e+01   2.08763e-02 MOM/DAMP
   @DF-RHF iter 322:   -87.09475157468954    1.09599e+01   3.57591e-02 MOM/DAMP
   @DF-RHF iter 323:  -107.87813110637784   -2.07834e+01   3.64991e-02 MOM/DAMP
   @DF-RHF iter 324:   -93.75869530781783    1.41194e+01   1.10764e-02 MOM/DAMP
   @DF-RHF iter 325:   -84.54533258036284    9.21336e+00   8.44435e-03 MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 326:   -87.92107647669197   -3.37574e+00   1.92488e-02 MOM/DAMP
   @DF-RHF iter 327:   -97.10075818902740   -9.17968e+00   2.33901e-02 MOM/DAMP
   @DF-RHF iter 328:   -90.91966034163271    6.18110e+00   1.59182e-02 MOM/DAMP
   @DF-RHF iter 329:   -82.45307251935438    8.46659e+00   4.77013e-02 MOM/DAMP
   @DF-RHF iter 330:   -58.93709034267016    2.35160e+01   1.70469e-02 MOM/DAMP
   @DF-RHF iter 331:   -80.64546046965194   -2.17084e+01   1.37635e-02 MOM/DAMP
   @DF-RHF iter 332:   -61.91175861417099    1.87337e+01   1.97475e-02 MOM/DAMP
   @DF-RHF iter 333:   -61.96047726407535   -4.87186e-02   3.33324e-02 MOM/DAMP
   @DF-RHF iter 334:  -103.53570960235686   -4.15752e+01   1.88305e-02 MOM/DAMP
   @DF-RHF iter 335:   -83.06314050423181    2.04726e+01   2.37593e-02 MOM/DAMP
   @DF-RHF iter 336:  -104.75206396171669   -2.16889e+01   3.15838e-02 MOM/DAMP
   @DF-RHF iter 337:  -109.80909148950761   -5.05703e+00   2.84273e-02 MOM/DAMP
   @DF-RHF iter 338:   -89.38052101308809    2.04286e+01   3.67375e-02 MOM/DAMP
   @DF-RHF iter 339:  -121.02990232660900   -3.16494e+01   3.06704e-02 MOM/DAMP
   @DF-RHF iter 340:   -91.68731564846962    2.93426e+01   1.59613e-02 MOM/DAMP
   @DF-RHF iter 341:   -93.38516705244675   -1.69785e+00   2.07527e-02 MOM/DAMP
   @DF-RHF iter 342:  -102.87793096117790   -9.49276e+00   2.62388e-02 MOM/DAMP
   @DF-RHF iter 343:   -84.87147043300794    1.80065e+01   3.74895e-02 MOM/DAMP
   @DF-RHF iter 344:   -92.34510337543409   -7.47363e+00   2.72883e-02 MOM/DAMP
   @DF-RHF iter 345:   -87.90894618239967    4.43616e+00   1.92744e-02 MOM/DAMP
   @DF-RHF iter 346:   -70.05321185192997    1.78557e+01   2.50114e-02 MOM/DAMP
   @DF-RHF iter 347:   -64.02918956073266    6.02402e+00   1.61519e-02 MOM/DAMP
   @DF-RHF iter 348:   -62.79792022856711    1.23127e+00   1.61900e-02 MOM/DAMP
   @DF-RHF iter 349:  -102.91776085269200   -4.01198e+01   1.35481e-02 MOM/DAMP
   @DF-RHF iter 350:   -84.97396008419284    1.79438e+01   1.54934e-02 MOM/DAMP
   @DF-RHF iter 351:  -103.58671973018863   -1.86128e+01   2.01531e-02 MOM/DAMP
   @DF-RHF iter 352:   -98.38442147336580    5.20230e+00   1.82493e-02 MOM/DAMP
   @DF-RHF iter 353:   -95.57988582914956    2.80454e+00   2.55050e-02 MOM/DAMP
   @DF-RHF iter 354:   -74.94465426411172    2.06352e+01   1.97610e-02 MOM/DAMP
   @DF-RHF iter 355:   -74.19543885494804    7.49215e-01   3.27085e-02 MOM/DAMP
   @DF-RHF iter 356:  -100.69296526306326   -2.64975e+01   3.57945e-02 MOM/DAMP
   @DF-RHF iter 357:   -83.59392278154594    1.70990e+01   2.25659e-02 MOM/DAMP
   @DF-RHF iter 358:   -89.36806743935905   -5.77414e+00   1.30255e-02 MOM/DAMP
   @DF-RHF iter 359:   -69.77559698022046    1.95925e+01   2.04825e-02 MOM/DAMP
   @DF-RHF iter 360:  -102.15692311864035   -3.23813e+01   3.53702e-02 MOM/DAMP
   @DF-RHF iter 361:   -79.22355634821527    2.29334e+01   2.95527e-02 MOM/DAMP
   @DF-RHF iter 362:  -112.26133652683929   -3.30378e+01   2.10307e-02 MOM/DAMP
   @DF-RHF iter 363:  -113.35212544422411   -1.09079e+00   2.06153e-02 MOM/DAMP
   @DF-RHF iter 364:  -119.03640459543280   -5.68428e+00   2.82866e-02 MOM/DAMP
   @DF-RHF iter 365:  -111.06288936136215    7.97352e+00   3.62043e-02 MOM/DAMP
   @DF-RHF iter 366:   -89.38323937128501    2.16796e+01   1.87791e-02 MOM/DAMP
   @DF-RHF iter 367:   -76.61410129797059    1.27691e+01   2.91398e-02 MOM/DAMP
   @DF-RHF iter 368:   -92.46575961656805   -1.58517e+01   1.88454e-02 MOM/DAMP
   @DF-RHF iter 369:   -76.69019180865892    1.57756e+01   2.98425e-02 MOM/DAMP
   @DF-RHF iter 370:   -75.86827942670450    8.21912e-01   4.13767e-02 MOM/DAMP
   @DF-RHF iter 371:   -76.02307027497204   -1.54791e-01   4.54328e-02 MOM/DAMP
   @DF-RHF iter 372:   -68.93265671826835    7.09041e+00   1.13467e-02 MOM/DAMP
   @DF-RHF iter 373:   -74.10907589971144   -5.17642e+00   7.11140e-02 MOM/DAMP
   @DF-RHF iter 374:  -135.90121868504139   -6.17921e+01   5.12989e-02 MOM/DAMP
   @DF-RHF iter 375:   -84.77214066853267    5.11291e+01   2.35699e-02 MOM/DAMP
   @DF-RHF iter 376:  -105.30446916009883   -2.05323e+01   1.91096e-02 MOM/DAMP
   @DF-RHF iter 377:   -96.84633850396654    8.45813e+00   1.42660e-02 MOM/DAMP
   @DF-RHF iter 378:  -103.06939979175209   -6.22306e+00   7.97078e-03 MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 379:   -79.99672427922204    2.30727e+01   2.37248e-02 MOM/DAMP
   @DF-RHF iter 380:   -70.56021586806415    9.43651e+00   2.07286e-02 MOM/DAMP
   @DF-RHF iter 381:   -97.62877867664173   -2.70686e+01   1.13041e-02 MOM/DAMP
   @DF-RHF iter 382:   -76.21019394702537    2.14186e+01   2.95036e-02 MOM/DAMP
   @DF-RHF iter 383:  -104.47470402414254   -2.82645e+01   3.32633e-02 MOM/DAMP
   @DF-RHF iter 384:   -59.78523117115957    4.46895e+01   3.49029e-02 MOM/DAMP
   @DF-RHF iter 385:   -98.26051588882693   -3.84753e+01   1.47644e-02 MOM/DAMP
   @DF-RHF iter 386:  -102.43391215237071   -4.17340e+00   1.22130e-02 MOM/DAMP
   @DF-RHF iter 387:   -98.70371272654644    3.73020e+00   2.32515e-02 MOM/DAMP
   @DF-RHF iter 388:   -90.09183534664660    8.61188e+00   4.32059e-02 MOM/DAMP
   @DF-RHF iter 389:  -113.91390936912404   -2.38221e+01   4.08675e-02 MOM/DAMP
   @DF-RHF iter 390:   -85.43831405419355    2.84756e+01   4.22695e-02 MOM/DAMP
   @DF-RHF iter 391:  -100.94509760447279   -1.55068e+01   4.11060e-02 MOM/DAMP
   @DF-RHF iter 392:   -74.40306074246789    2.65420e+01   3.81025e-02 MOM/DAMP
   @DF-RHF iter 393:  -103.80271806091642   -2.93997e+01   1.44249e-02 MOM/DAMP
   @DF-RHF iter 394:   -93.97684818761788    9.82587e+00   2.63602e-02 MOM/DAMP
   @DF-RHF iter 395:  -114.68963509533067   -2.07128e+01   2.31940e-02 MOM/DAMP
   @DF-RHF iter 396:   -88.65816964034717    2.60315e+01   1.58068e-02 MOM/DAMP
   @DF-RHF iter 397:  -114.47556948542325   -2.58174e+01   1.36427e-02 MOM/DAMP
   @DF-RHF iter 398:  -101.29553105906996    1.31800e+01   2.39899e-02 MOM/DAMP
   @DF-RHF iter 399:   -72.94765548870654    2.83479e+01   1.60570e-02 MOM/DAMP
   @DF-RHF iter 400:   -78.49612309072154   -5.54847e+00   4.34887e-02 MOM/DAMP
   @DF-RHF iter 401:  -102.03301434056280   -2.35369e+01   2.32609e-02 MOM/DAMP
   @DF-RHF iter 402:   -87.44973734045946    1.45833e+01   1.86229e-02 MOM/DAMP
   @DF-RHF iter 403:  -100.63867541476844   -1.31889e+01   1.23073e-02 MOM/DAMP
   @DF-RHF iter 404:  -100.56850101437715    7.01744e-02   8.13751e-03 MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 405:   -82.79877776703374    1.77697e+01   4.16415e-02 MOM/DAMP
   @DF-RHF iter 406:  -136.62369365187078   -5.38249e+01   3.26176e-02 MOM/DAMP
   @DF-RHF iter 407:  -102.50792422225108    3.41158e+01   2.62283e-02 MOM/DAMP
   @DF-RHF iter 408:   -83.08165396483378    1.94263e+01   1.60027e-02 MOM/DAMP
   @DF-RHF iter 409:   -68.52656484027426    1.45551e+01   7.61952e-02 MOM/DAMP
   @DF-RHF iter 410:  -133.57469164419419   -6.50481e+01   6.89640e-02 MOM/DAMP
   @DF-RHF iter 411:   -56.68257215086278    7.68921e+01   3.58817e-02 MOM/DAMP
   @DF-RHF iter 412:   -15.48409115146357    4.11985e+01   6.86300e-02 MOM/DAMP
   @DF-RHF iter 413:   -67.18428788126695   -5.17002e+01   3.04260e-02 MOM/DAMP
   @DF-RHF iter 414:   -73.88774194656668   -6.70345e+00   2.14236e-02 MOM/DAMP
   @DF-RHF iter 415:   -87.42787142450756   -1.35401e+01   1.03461e-02 MOM/DAMP
   @DF-RHF iter 416:   -83.28710399876854    4.14077e+00   2.98157e-02 MOM/DAMP
   @DF-RHF iter 417:   -88.03799985216040   -4.75090e+00   4.04000e-02 MOM/DAMP
   @DF-RHF iter 418:   -87.72729118776567    3.10709e-01   2.65892e-02 MOM/DAMP
   @DF-RHF iter 419:   -91.02863315385281   -3.30134e+00   1.54142e-02 MOM/DAMP
   @DF-RHF iter 420:   -84.01201356732457    7.01662e+00   1.36279e-02 MOM/DAMP
   @DF-RHF iter 421:   -78.31322305005340    5.69879e+00   1.35541e-02 MOM/DAMP
   @DF-RHF iter 422:   -82.19285102327362   -3.87963e+00   2.48923e-02 MOM/DAMP
   @DF-RHF iter 423:   -99.52325780718425   -1.73304e+01   4.06466e-02 MOM/DAMP
   @DF-RHF iter 424:   -94.38582486325988    5.13743e+00   1.74420e-02 MOM/DAMP
   @DF-RHF iter 425:   -90.48323375578055    3.90259e+00   3.60748e-02 MOM/DAMP
   @DF-RHF iter 426:   -42.46479199094154    4.80184e+01   2.36054e-02 MOM/DAMP
   @DF-RHF iter 427:   -31.94909196161487    1.05157e+01   6.57024e-02 MOM/DAMP
   @DF-RHF iter 428:   -83.27921036960345   -5.13301e+01   3.64222e-02 MOM/DAMP
   @DF-RHF iter 429:   -56.00521420466814    2.72740e+01   3.18742e-02 MOM/DAMP
   @DF-RHF iter 430:   -75.73043978073180   -1.97252e+01   2.07048e-02 MOM/DAMP
   @DF-RHF iter 431:   -83.40662957735123   -7.67619e+00   1.37253e-02 MOM/DAMP
   @DF-RHF iter 432:   -73.10747393314823    1.02992e+01   1.13598e-02 MOM/DAMP
   @DF-RHF iter 433:   -83.53626930849484   -1.04288e+01   4.99287e-02 MOM/DAMP
   @DF-RHF iter 434:  -117.91968286217488   -3.43834e+01   4.36670e-02 MOM/DAMP
   @DF-RHF iter 435:   -84.11497006472790    3.38047e+01   3.41450e-02 MOM/DAMP
   @DF-RHF iter 436:  -116.60475588803943   -3.24898e+01   1.82302e-02 MOM/DAMP
   @DF-RHF iter 437:   -97.46186930771653    1.91429e+01   2.42630e-02 MOM/DAMP
   @DF-RHF iter 438:  -125.19296409733226   -2.77311e+01   2.68271e-02 MOM/DAMP
   @DF-RHF iter 439:  -105.57912499287264    1.96138e+01   1.67837e-02 MOM/DAMP
   @DF-RHF iter 440:  -104.70160018567263    8.77525e-01   1.41924e-02 MOM/DAMP
   @DF-RHF iter 441:  -100.91932149994712    3.78228e+00   3.28600e-02 MOM/DAMP
   @DF-RHF iter 442:  -116.41424850061316   -1.54949e+01   2.20919e-02 MOM/DAMP
   @DF-RHF iter 443:   -95.06404829817834    2.13502e+01   1.76904e-02 MOM/DAMP
   @DF-RHF iter 444:  -110.39942723970637   -1.53354e+01   3.04309e-02 MOM/DAMP
   @DF-RHF iter 445:  -118.16275577555872   -7.76333e+00   1.23602e-02 MOM/DAMP
   @DF-RHF iter 446:  -109.97350530038449    8.18925e+00   4.46972e-02 MOM/DAMP
   @DF-RHF iter 447:   -75.57850571605607    3.43950e+01   1.24636e-02 MOM/DAMP
   @DF-RHF iter 448:   -74.64756933492731    9.30936e-01   3.85912e-02 MOM/DAMP
   @DF-RHF iter 449:  -108.91763483023087   -3.42701e+01   2.89216e-02 MOM/DAMP
   @DF-RHF iter 450:  -112.18419610659640   -3.26656e+00   1.89346e-02 MOM/DAMP
   @DF-RHF iter 451:  -101.13979200103861    1.10444e+01   1.61595e-02 MOM/DAMP
   @DF-RHF iter 452:   -81.93674996625478    1.92030e+01   2.11161e-02 MOM/DAMP
   @DF-RHF iter 453:   -70.80709561367017    1.11297e+01   2.42206e-02 MOM/DAMP
   @DF-RHF iter 454:  -106.23641841636069   -3.54293e+01   2.66188e-02 MOM/DAMP
   @DF-RHF iter 455:   -46.22311247398028    6.00133e+01   1.94453e-02 MOM/DAMP
   @DF-RHF iter 456:   -74.38670780868662   -2.81636e+01   1.66705e-02 MOM/DAMP
   @DF-RHF iter 457:  -100.45481925999027   -2.60681e+01   2.33390e-02 MOM/DAMP
   @DF-RHF iter 458:   -76.20377379618046    2.42510e+01   1.33217e-02 MOM/DAMP
   @DF-RHF iter 459:   -59.09681573556475    1.71070e+01   2.33377e-02 MOM/DAMP
   @DF-RHF iter 460:   -91.27804950349406   -3.21812e+01   3.45751e-02 MOM/DAMP
   @DF-RHF iter 461:   -74.42357337098507    1.68545e+01   4.35119e-02 MOM/DAMP
   @DF-RHF iter 462:   -84.94266677636909   -1.05191e+01   2.82188e-02 MOM/DAMP
   @DF-RHF iter 463:   -99.28295862187980   -1.43403e+01   2.87247e-02 MOM/DAMP
   @DF-RHF iter 464:  -117.26358010447099   -1.79806e+01   1.98453e-02 MOM/DAMP
   @DF-RHF iter 465:   -93.46248932394997    2.38011e+01   2.52935e-02 MOM/DAMP
   @DF-RHF iter 466:   -89.82152215012594    3.64097e+00   2.43800e-02 MOM/DAMP
   @DF-RHF iter 467:   -79.61767748457501    1.02038e+01   2.29019e-02 MOM/DAMP
   @DF-RHF iter 468:  -105.40261659825529   -2.57849e+01   3.14721e-02 MOM/DAMP
   @DF-RHF iter 469:  -102.97640895762606    2.42621e+00   2.32355e-02 MOM/DAMP
   @DF-RHF iter 470:   -85.97267683879306    1.70037e+01   1.72414e-02 MOM/DAMP
   @DF-RHF iter 471:   -90.51150644696064   -4.53883e+00   3.09517e-02 MOM/DAMP
   @DF-RHF iter 472:   -95.43090120026446   -4.91939e+00   3.93255e-02 MOM/DAMP
   @DF-RHF iter 473:   -54.52384762448042    4.09071e+01   2.48524e-02 MOM/DAMP
   @DF-RHF iter 474:   -69.77132853304809   -1.52475e+01   5.29883e-02 MOM/DAMP
   @DF-RHF iter 475:  -121.55610389076028   -5.17848e+01   2.83897e-02 MOM/DAMP
   @DF-RHF iter 476:   -85.15154546127624    3.64046e+01   1.07696e-02 MOM/DAMP
   @DF-RHF iter 477:   -81.27030696532323    3.88124e+00   3.75127e-02 MOM/DAMP
   @DF-RHF iter 478:  -130.21202223452218   -4.89417e+01   3.87807e-02 MOM/DAMP
   @DF-RHF iter 479:   -85.58981017062081    4.46222e+01   1.67821e-02 MOM/DAMP
   @DF-RHF iter 480:   -97.97396240803155   -1.23842e+01   3.39697e-02 MOM/DAMP
   @DF-RHF iter 481:   -81.07658316695674    1.68974e+01   2.39551e-02 MOM/DAMP
   @DF-RHF iter 482:   -81.56546247626690   -4.88879e-01   1.66619e-02 MOM/DAMP
   @DF-RHF iter 483:   -72.89904537170592    8.66642e+00   3.96806e-02 MOM/DAMP
   @DF-RHF iter 484:  -101.16136348640764   -2.82623e+01   4.45317e-02 MOM/DAMP
   @DF-RHF iter 485:   -73.09498831934758    2.80664e+01   2.52874e-02 MOM/DAMP
   @DF-RHF iter 486:   -95.70675835672407   -2.26118e+01   1.72175e-02 MOM/DAMP
   @DF-RHF iter 487:  -110.04005947385002   -1.43333e+01   2.53954e-02 MOM/DAMP
   @DF-RHF iter 488:  -104.57716695921394    5.46289e+00   1.72933e-02 MOM/DAMP
   @DF-RHF iter 489:   -84.20703435015841    2.03701e+01   1.39908e-02 MOM/DAMP
   @DF-RHF iter 490:   -72.71774009761981    1.14893e+01   2.70228e-02 MOM/DAMP
   @DF-RHF iter 491:  -104.40448871900303   -3.16867e+01   1.98509e-02 MOM/DAMP
   @DF-RHF iter 492:   -81.77058571200085    2.26339e+01   2.44747e-02 MOM/DAMP
   @DF-RHF iter 493:   -93.02934080889693   -1.12588e+01   3.90505e-02 MOM/DAMP
   @DF-RHF iter 494:   -61.92218433566436    3.11072e+01   4.78413e-02 MOM/DAMP
   @DF-RHF iter 495:  -116.41968710227144   -5.44975e+01   4.42129e-02 MOM/DAMP
   @DF-RHF iter 496:   -77.26253737091923    3.91571e+01   3.11778e-02 MOM/DAMP
   @DF-RHF iter 497:   -81.80836813227138   -4.54583e+00   2.95919e-02 MOM/DAMP
   @DF-RHF iter 498:   -66.70922934403325    1.50991e+01   3.53919e-02 MOM/DAMP
   @DF-RHF iter 499:  -112.42231240244203   -4.57131e+01   2.04795e-02 MOM/DAMP
   @DF-RHF iter 500:   -89.50184193779265    2.29205e+01   1.51865e-02 MOM/DAMP
   @DF-RHF iter 501:   -89.32397730507768    1.77865e-01   5.65883e-02 MOM/DAMP
   @DF-RHF iter 502:  -148.29589489517701   -5.89719e+01   3.94987e-02 MOM/DAMP
   @DF-RHF iter 503:   -80.55537350106505    6.77405e+01   2.24708e-02 MOM/DAMP
   @DF-RHF iter 504:   -80.91427546462006   -3.58902e-01   3.22090e-02 MOM/DAMP
   @DF-RHF iter 505:   -65.85638244945272    1.50579e+01   2.96875e-02 MOM/DAMP
   @DF-RHF iter 506:   -90.00931807203858   -2.41529e+01   2.76627e-02 MOM/DAMP
   @DF-RHF iter 507:   -80.42067595083149    9.58864e+00   3.34437e-02 MOM/DAMP
   @DF-RHF iter 508:   -82.02675369643438   -1.60608e+00   4.00822e-02 MOM/DAMP
   @DF-RHF iter 509:   -57.26801092846939    2.47587e+01   2.55342e-02 MOM/DAMP
   @DF-RHF iter 510:   -68.23666151398518   -1.09687e+01   3.89713e-02 MOM/DAMP
   @DF-RHF iter 511:   -74.28879786714401   -6.05214e+00   2.80994e-02 MOM/DAMP
   @DF-RHF iter 512:   -85.41212316326300   -1.11233e+01   3.23288e-02 MOM/DAMP
   @DF-RHF iter 513:   -66.76949032830251    1.86426e+01   3.66749e-02 MOM/DAMP
   @DF-RHF iter 514:  -100.80817026017297   -3.40387e+01   3.42946e-02 MOM/DAMP
   @DF-RHF iter 515:   -65.80859337612344    3.49996e+01   2.41601e-02 MOM/DAMP
   @DF-RHF iter 516:   -67.02815202326303   -1.21956e+00   3.61590e-02 MOM/DAMP
   @DF-RHF iter 517:   -62.16370985170860    4.86444e+00   2.60590e-02 MOM/DAMP
   @DF-RHF iter 518:  -100.89731406589659   -3.87336e+01   2.23666e-02 MOM/DAMP
   @DF-RHF iter 519:   -96.43619616280179    4.46112e+00   3.00988e-02 MOM/DAMP
   @DF-RHF iter 520:   -74.56147341426716    2.18747e+01   4.38600e-02 MOM/DAMP
   @DF-RHF iter 521:  -107.86502137536952   -3.33035e+01   4.22920e-02 MOM/DAMP
   @DF-RHF iter 522:   -87.10490411537555    2.07601e+01   2.56690e-02 MOM/DAMP
   @DF-RHF iter 523:   -84.79752608503100    2.30738e+00   1.88863e-02 MOM/DAMP
   @DF-RHF iter 524:  -115.56796705034125   -3.07704e+01   1.47605e-02 MOM/DAMP
   @DF-RHF iter 525:  -103.76074999520237    1.18072e+01   1.60456e-02 MOM/DAMP
   @DF-RHF iter 526:  -110.86348659150130   -7.10274e+00   1.48981e-02 MOM/DAMP
   @DF-RHF iter 527:   -94.11550044486673    1.67480e+01   1.09622e-02 MOM/DAMP
   @DF-RHF iter 528:  -118.81482461672628   -2.46993e+01   1.82196e-02 MOM/DAMP
   @DF-RHF iter 529:  -100.50354119435067    1.83113e+01   1.65426e-02 MOM/DAMP
   @DF-RHF iter 530:  -114.34479203849421   -1.38413e+01   1.65605e-02 MOM/DAMP
   @DF-RHF iter 531:  -108.86400901545460    5.48078e+00   3.37708e-02 MOM/DAMP
   @DF-RHF iter 532:   -74.79357828625450    3.40704e+01   4.72138e-02 MOM/DAMP
   @DF-RHF iter 533:   -98.62062986322712   -2.38271e+01   5.97364e-02 MOM/DAMP
   @DF-RHF iter 534:   -41.31119192239026    5.73094e+01   1.96268e-02 MOM/DAMP
   @DF-RHF iter 535:   -54.70489275337695   -1.33937e+01   1.02543e-02 MOM/DAMP
   @DF-RHF iter 536:   -72.48479225936444   -1.77799e+01   5.88389e-02 MOM/DAMP
   @DF-RHF iter 537:  -101.95941522117906   -2.94746e+01   4.32683e-02 MOM/DAMP
   @DF-RHF iter 538:   -68.09096286032261    3.38685e+01   4.66888e-02 MOM/DAMP
   @DF-RHF iter 539:  -113.49475916229154   -4.54038e+01   2.05041e-02 MOM/DAMP
   @DF-RHF iter 540:   -94.46500250059574    1.90298e+01   1.00026e-02 MOM/DAMP
   @DF-RHF iter 541:  -108.77741743484530   -1.43124e+01   9.80814e-03 MOM/DAMP
   @DF-RHF iter 542:   -98.58843878472165    1.01890e+01   9.49357e-03 SOSCF, nmicro = 15/MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 543:  -103.65254279513833   -5.06410e+00   4.28750e-02 MOM/DAMP
   @DF-RHF iter 544:  -134.25986279568403   -3.06073e+01   4.23759e-02 MOM/DAMP
   @DF-RHF iter 545:   -71.66180560098428    6.25981e+01   3.03996e-02 MOM/DAMP
   @DF-RHF iter 546:  -110.93439779202986   -3.92726e+01   2.54172e-02 MOM/DAMP
   @DF-RHF iter 547:   -75.26550116177964    3.56689e+01   3.02522e-02 MOM/DAMP
   @DF-RHF iter 548:  -111.20927987149659   -3.59438e+01   2.07179e-02 MOM/DAMP
   @DF-RHF iter 549:   -80.33301784752867    3.08763e+01   2.48397e-02 MOM/DAMP
   @DF-RHF iter 550:  -109.46663634899376   -2.91336e+01   4.09499e-02 MOM/DAMP
   @DF-RHF iter 551:   -90.35334848308203    1.91133e+01   1.51758e-02 MOM/DAMP
   @DF-RHF iter 552:   -82.68899365890091    7.66435e+00   1.87470e-02 MOM/DAMP
   @DF-RHF iter 553:   -76.27872083140757    6.41027e+00   2.27745e-02 MOM/DAMP
   @DF-RHF iter 554:   -93.56483740659988   -1.72861e+01   1.61500e-02 MOM/DAMP
   @DF-RHF iter 555:  -111.45643755164551   -1.78916e+01   1.56520e-02 MOM/DAMP
   @DF-RHF iter 556:  -100.43717954190637    1.10193e+01   3.88711e-02 MOM/DAMP
   @DF-RHF iter 557:   -72.40964372947948    2.80275e+01   2.81541e-02 MOM/DAMP
   @DF-RHF iter 558:   -64.15839490476965    8.25125e+00   4.13554e-02 MOM/DAMP
   @DF-RHF iter 559:  -110.04196862822137   -4.58836e+01   4.00952e-02 MOM/DAMP
   @DF-RHF iter 560:   -82.48256137643716    2.75594e+01   2.08626e-02 MOM/DAMP
   @DF-RHF iter 561:   -78.09946650964331    4.38309e+00   2.24800e-02 MOM/DAMP
   @DF-RHF iter 562:   -58.09447521366509    2.00050e+01   1.56557e-02 MOM/DAMP
   @DF-RHF iter 563:   -82.27955005958506   -2.41851e+01   1.22852e-02 MOM/DAMP
   @DF-RHF iter 564:   -68.43249029527411    1.38471e+01   1.14915e-02 MOM/DAMP
   @DF-RHF iter 565:   -75.27678477454585   -6.84429e+00   3.09146e-02 MOM/DAMP
   @DF-RHF iter 566:  -105.85611808207672   -3.05793e+01   1.55199e-02 MOM/DAMP
   @DF-RHF iter 567:  -101.14231975870436    4.71380e+00   1.31916e-02 MOM/DAMP
   @DF-RHF iter 568:  -102.29333224184870   -1.15101e+00   1.64412e-02 MOM/DAMP
   @DF-RHF iter 569:   -91.76305671910657    1.05303e+01   2.50922e-02 MOM/DAMP
   @DF-RHF iter 570:  -101.85029205157613   -1.00872e+01   1.61197e-02 MOM/DAMP
   @DF-RHF iter 571:  -118.59766438556065   -1.67474e+01   1.79682e-02 MOM/DAMP
   @DF-RHF iter 572:  -105.23050070697971    1.33672e+01   1.64479e-02 MOM/DAMP
   @DF-RHF iter 573:  -121.33103171604273   -1.61005e+01   3.08460e-02 MOM/DAMP
   @DF-RHF iter 574:   -76.08358312595162    4.52474e+01   1.65449e-02 MOM/DAMP
   @DF-RHF iter 575:   -55.77608121692074    2.03075e+01   2.34904e-02 MOM/DAMP
   @DF-RHF iter 576:   -58.12467545366739   -2.34859e+00   4.63514e-02 MOM/DAMP
   @DF-RHF iter 577:  -101.27418913994426   -4.31495e+01   4.35388e-02 MOM/DAMP
   @DF-RHF iter 578:   -68.51475125361975    3.27594e+01   3.12040e-02 MOM/DAMP
   @DF-RHF iter 579:   -39.35177029780056    2.91630e+01   2.53385e-02 MOM/DAMP
   @DF-RHF iter 580:   -42.14213411217755   -2.79036e+00   2.40291e-02 MOM/DAMP
   @DF-RHF iter 581:   -76.66527743248967   -3.45231e+01   2.33700e-02 MOM/DAMP
   @DF-RHF iter 582:   -60.25896825626937    1.64063e+01   1.59064e-02 MOM/DAMP
   @DF-RHF iter 583:   -83.20848447373118   -2.29495e+01   2.61942e-02 MOM/DAMP
   @DF-RHF iter 584:   -81.30304389975771    1.90544e+00   1.45632e-02 MOM/DAMP
   @DF-RHF iter 585:   -69.01667614756950    1.22864e+01   2.02026e-02 MOM/DAMP
   @DF-RHF iter 586:   -67.41194358446779    1.60473e+00   5.47891e-02 MOM/DAMP
   @DF-RHF iter 587:  -102.05708166640459   -3.46451e+01   4.19120e-02 MOM/DAMP
   @DF-RHF iter 588:   -76.74177616588126    2.53153e+01   2.74097e-02 MOM/DAMP
   @DF-RHF iter 589:   -54.61812264305804    2.21237e+01   3.63291e-02 MOM/DAMP
   @DF-RHF iter 590:   -97.55728567351795   -4.29392e+01   2.53915e-02 MOM/DAMP
   @DF-RHF iter 591:   -90.98287420897691    6.57441e+00   2.90685e-02 MOM/DAMP
   @DF-RHF iter 592:  -115.04262531004153   -2.40598e+01   1.31683e-02 MOM/DAMP
   @DF-RHF iter 593:  -108.76162157094177    6.28100e+00   8.97028e-03 MOM/DAMP
   @DF-RHF iter 594:   -93.18233832437789    1.55793e+01   1.57648e-02 SOSCF, nmicro = 15/MOM/DAMP
   @DF-RHF iter 595:   -95.36406602971223   -2.18173e+00   2.73475e-02 MOM/DAMP
   @DF-RHF iter 596:  -103.80187338195286   -8.43781e+00   3.05854e-02 MOM/DAMP
   @DF-RHF iter 597:   -96.16260813992297    7.63927e+00   1.96321e-02 MOM/DAMP
   @DF-RHF iter 598:  -101.66411346737763   -5.50151e+00   2.12483e-02 MOM/DAMP
   @DF-RHF iter 599:   -74.10932141356392    2.75548e+01   2.01187e-02 MOM/DAMP
   @DF-RHF iter 600:   -96.88242591662024   -2.27731e+01   1.84739e-02 MOM/DAMP
   @DF-RHF iter 601:  -111.74900391303575   -1.48666e+01   4.25015e-02 MOM/DAMP
   @DF-RHF iter 602:  -122.74342809670568   -1.09944e+01   1.82148e-02 MOM/DAMP
   @DF-RHF iter 603:  -129.65154335386413   -6.90812e+00   2.64865e-02 MOM/DAMP
   @DF-RHF iter 604:  -113.24788892463988    1.64037e+01   2.32707e-02 MOM/DAMP
   @DF-RHF iter 605:   -73.96677723832239    3.92811e+01   5.69511e-02 MOM/DAMP
   @DF-RHF iter 606:   -35.34257238377887    3.86242e+01   5.14769e-02 MOM/DAMP
   @DF-RHF iter 607:  -100.19486259651825   -6.48523e+01   3.29096e-02 MOM/DAMP
   @DF-RHF iter 608:   -67.35659127527843    3.28383e+01   2.92455e-02 MOM/DAMP
   @DF-RHF iter 609:   -93.57762441688230   -2.62210e+01   1.99580e-02 MOM/DAMP
   @DF-RHF iter 610:  -101.81019339233265   -8.23257e+00   1.69575e-02 MOM/DAMP
   @DF-RHF iter 611:  -102.68881262731529   -8.78619e-01   1.15916e-02 MOM/DAMP
   @DF-RHF iter 612:  -106.88382915943961   -4.19502e+00   1.69647e-02 MOM/DAMP
   @DF-RHF iter 613:   -99.44035454832274    7.44347e+00   2.85951e-02 MOM/DAMP
   @DF-RHF iter 614:  -100.72428184103237   -1.28393e+00   1.59238e-02 MOM/DAMP
   @DF-RHF iter 615:   -79.38693315611306    2.13373e+01   3.01785e-02 MOM/DAMP
   @DF-RHF iter 616:   -89.69662177907054   -1.03097e+01   3.54025e-02 MOM/DAMP
   @DF-RHF iter 617:   -95.80138315237232   -6.10476e+00   1.95347e-02 MOM/DAMP
   @DF-RHF iter 618:  -110.11931087187207   -1.43179e+01   1.19555e-02 MOM/DAMP
   @DF-RHF iter 619:  -124.06238700043370   -1.39431e+01   1.35756e-02 MOM/DAMP
   @DF-RHF iter 620:  -103.33078760046368    2.07316e+01   1.01821e-02 MOM/DAMP
   @DF-RHF iter 621:  -104.83623477110986   -1.50545e+00   1.96798e-02 MOM/DAMP
   @DF-RHF iter 622:   -87.38172256382055    1.74545e+01   3.10341e-02 MOM/DAMP
   @DF-RHF iter 623:   -74.91210537219771    1.24696e+01   3.66335e-02 MOM/DAMP
   @DF-RHF iter 624:   -86.68417239086619   -1.17721e+01   4.93088e-02 MOM/DAMP
   @DF-RHF iter 625:   -59.14096462954785    2.75432e+01   2.92751e-02 MOM/DAMP
   @DF-RHF iter 626:   -77.27327564599729   -1.81323e+01   2.12348e-02 MOM/DAMP
   @DF-RHF iter 627:   -70.19782528161954    7.07545e+00   2.19622e-02 MOM/DAMP
   @DF-RHF iter 628:   -90.01929720961023   -1.98215e+01   1.85934e-02 MOM/DAMP
   @DF-RHF iter 629:  -103.98448094657110   -1.39652e+01   4.21649e-02 MOM/DAMP
   @DF-RHF iter 630:   -59.30552418933097    4.46790e+01   1.80943e-02 MOM/DAMP
   @DF-RHF iter 631:   -79.62818327182526   -2.03227e+01   1.16400e-02 MOM/DAMP
   @DF-RHF iter 632:   -97.53253195766169   -1.79043e+01   2.35898e-02 MOM/DAMP
   @DF-RHF iter 633:   -82.90879800628673    1.46237e+01   1.75214e-02 MOM/DAMP
   @DF-RHF iter 634:   -93.97358704248740   -1.10648e+01   2.88747e-02 MOM/DAMP
   @DF-RHF iter 635:   -71.18648122161009    2.27871e+01   2.67663e-02 MOM/DAMP
   @DF-RHF iter 636:   -94.73783259206840   -2.35514e+01   1.36655e-02 MOM/DAMP
   @DF-RHF iter 637:  -102.78380426914687   -8.04597e+00   2.79678e-02 MOM/DAMP
   @DF-RHF iter 638:   -87.26634477383581    1.55175e+01   3.37085e-02 MOM/DAMP
   @DF-RHF iter 639:  -108.37236761714526   -2.11060e+01   3.49193e-02 MOM/DAMP
   @DF-RHF iter 640:   -81.61925961526570    2.67531e+01   2.50261e-02 MOM/DAMP
   @DF-RHF iter 641:   -92.14276286310613   -1.05235e+01   1.32968e-02 MOM/DAMP
   @DF-RHF iter 642:   -98.62789649359956   -6.48513e+00   1.02745e-02 MOM/DAMP
   @DF-RHF iter 643:  -110.80756600064986   -1.21797e+01   1.14013e-02 MOM/DAMP
   @DF-RHF iter 644:   -92.75967284107723    1.80479e+01   1.60250e-02 MOM/DAMP
   @DF-RHF iter 645:  -108.81509029465681   -1.60554e+01   9.25490e-03 MOM/DAMP
   @DF-RHF iter 646:  -111.78285118159853   -2.96776e+00   1.58605e-02 SOSCF, nmicro = 15/MOM/DAMP
   @DF-RHF iter 647:  -107.66443809185006    4.11841e+00   4.64080e-02 MOM/DAMP
   @DF-RHF iter 648:  -138.86560793993655   -3.12012e+01   3.89736e-02 MOM/DAMP
   @DF-RHF iter 649:  -115.29598093212452    2.35696e+01   2.98702e-02 MOM/DAMP
   @DF-RHF iter 650:   -49.13695864161763    6.61590e+01   2.51519e-02 MOM/DAMP
   @DF-RHF iter 651:   -93.72947033615941   -4.45925e+01   2.02357e-02 MOM/DAMP
   @DF-RHF iter 652:   -87.60242460889224    6.12705e+00   1.57424e-02 MOM/DAMP
   @DF-RHF iter 653:   -93.57473103169605   -5.97231e+00   1.61214e-02 MOM/DAMP
   @DF-RHF iter 654:   -71.76254068349650    2.18122e+01   4.12810e-02 MOM/DAMP
   @DF-RHF iter 655:  -102.70528996660060   -3.09427e+01   2.96940e-02 MOM/DAMP
   @DF-RHF iter 656:   -71.12736282500053    3.15779e+01   4.28431e-02 MOM/DAMP
   @DF-RHF iter 657:  -115.10762796811699   -4.39803e+01   5.23814e-02 MOM/DAMP
   @DF-RHF iter 658:   -84.94669447794270    3.01609e+01   1.48827e-02 MOM/DAMP
   @DF-RHF iter 659:   -79.60498279360920    5.34171e+00   4.81021e-02 MOM/DAMP
   @DF-RHF iter 660:  -117.84703052434820   -3.82420e+01   2.68979e-02 MOM/DAMP
   @DF-RHF iter 661:   -98.83785308046251    1.90092e+01   1.36478e-02 MOM/DAMP
   @DF-RHF iter 662:   -79.31626500923811    1.95216e+01   1.21621e-02 MOM/DAMP
   @DF-RHF iter 663:   -81.92991274639527   -2.61365e+00   2.01145e-02 MOM/DAMP
   @DF-RHF iter 664:  -105.33938981928409   -2.34095e+01   1.40425e-02 MOM/DAMP
   @DF-RHF iter 665:   -90.28785972220444    1.50515e+01   1.35056e-02 MOM/DAMP
   @DF-RHF iter 666:  -123.19268146260031   -3.29048e+01   1.65001e-02 MOM/DAMP
   @DF-RHF iter 667:   -84.42704732095629    3.87656e+01   2.22277e-02 MOM/DAMP
   @DF-RHF iter 668:   -96.09255993816083   -1.16655e+01   2.67101e-02 MOM/DAMP
   @DF-RHF iter 669:   -66.51285354269585    2.95797e+01   1.68831e-02 MOM/DAMP
   @DF-RHF iter 670:   -84.91413479058002   -1.84013e+01   2.27180e-02 MOM/DAMP
   @DF-RHF iter 671:  -113.95235107022064   -2.90382e+01   2.81770e-02 MOM/DAMP
   @DF-RHF iter 672:   -91.52595189110019    2.24264e+01   2.52684e-02 MOM/DAMP
   @DF-RHF iter 673:  -111.92498594765516   -2.03990e+01   2.74350e-02 MOM/DAMP
   @DF-RHF iter 674:   -83.76215129103434    2.81628e+01   3.28111e-02 MOM/DAMP
   @DF-RHF iter 675:  -123.25284881958483   -3.94907e+01   2.07318e-02 MOM/DAMP
   @DF-RHF iter 676:   -91.57257038039641    3.16803e+01   1.69985e-02 MOM/DAMP
   @DF-RHF iter 677:   -87.61763406713612    3.95494e+00   8.77128e-03 MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 678:  -106.07701889314434   -1.84594e+01   1.30065e-02 MOM/DAMP
   @DF-RHF iter 679:   -88.43269785410023    1.76443e+01   1.32163e-02 MOM/DAMP
   @DF-RHF iter 680:   -63.73411067803857    2.46986e+01   2.83483e-02 MOM/DAMP
   @DF-RHF iter 681:  -107.77140596463256   -4.40373e+01   2.67480e-02 MOM/DAMP
   @DF-RHF iter 682:   -81.76472467280786    2.60067e+01   3.06217e-02 MOM/DAMP
   @DF-RHF iter 683:   -92.56750553403737   -1.08028e+01   1.69584e-02 MOM/DAMP
   @DF-RHF iter 684:   -73.70812512806489    1.88594e+01   9.69699e-03 MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 685:   -56.27587605012074    1.74322e+01   2.89730e-02 MOM/DAMP
   @DF-RHF iter 686:  -101.61463676662869   -4.53388e+01   2.61588e-02 MOM/DAMP
   @DF-RHF iter 687:   -94.37990977525897    7.23473e+00   1.51668e-02 MOM/DAMP
   @DF-RHF iter 688:  -102.38457656425027   -8.00467e+00   1.32295e-02 MOM/DAMP
   @DF-RHF iter 689:   -84.88657816243769    1.74980e+01   2.08337e-02 MOM/DAMP
   @DF-RHF iter 690:   -93.42223181930939   -8.53565e+00   2.23689e-02 MOM/DAMP
   @DF-RHF iter 691:  -106.94737192683596   -1.35251e+01   2.08738e-02 MOM/DAMP
   @DF-RHF iter 692:   -89.33488575766502    1.76125e+01   3.11797e-02 MOM/DAMP
   @DF-RHF iter 693:  -107.92740081054666   -1.85925e+01   2.21124e-02 MOM/DAMP
   @DF-RHF iter 694:   -96.05128402100898    1.18761e+01   1.20243e-02 MOM/DAMP
   @DF-RHF iter 695:   -74.34566133853494    2.17056e+01   3.97829e-02 MOM/DAMP
   @DF-RHF iter 696:  -115.18545082034312   -4.08398e+01   3.16481e-02 MOM/DAMP
   @DF-RHF iter 697:   -76.35308361375661    3.88324e+01   2.10199e-02 MOM/DAMP
   @DF-RHF iter 698:  -109.44389623857626   -3.30908e+01   1.70645e-02 MOM/DAMP
   @DF-RHF iter 699:  -114.62375217278054   -5.17986e+00   1.87637e-02 MOM/DAMP
   @DF-RHF iter 700:   -93.89980215500833    2.07240e+01   3.29832e-02 MOM/DAMP
   @DF-RHF iter 701:  -112.00399145201357   -1.81042e+01   4.55488e-02 MOM/DAMP
   @DF-RHF iter 702:  -106.76547363609558    5.23852e+00   1.90807e-02 MOM/DAMP
   @DF-RHF iter 703:   -87.65545670241082    1.91100e+01   1.12198e-02 MOM/DAMP
   @DF-RHF iter 704:   -73.13386633062515    1.45216e+01   3.65679e-02 MOM/DAMP
   @DF-RHF iter 705:  -109.05690165247800   -3.59230e+01   3.91743e-02 MOM/DAMP
   @DF-RHF iter 706:   -90.45376235941779    1.86031e+01   2.11708e-02 MOM/DAMP
   @DF-RHF iter 707:   -93.65330018111902   -3.19954e+00   8.88833e-03 MOM/DAMP
   @DF-RHF iter 708:  -106.44232548468227   -1.27890e+01   1.09620e-02 SOSCF, nmicro = 15/MOM/DAMP
   @DF-RHF iter 709:   -85.64424973023492    2.07981e+01   5.75449e-02 MOM/DAMP
   @DF-RHF iter 710:  -139.87956487072165   -5.42353e+01   2.01531e-02 MOM/DAMP
   @DF-RHF iter 711:  -124.99614759784568    1.48834e+01   2.39282e-02 MOM/DAMP
   @DF-RHF iter 712:  -102.49323074361929    2.25029e+01   3.13317e-02 MOM/DAMP
   @DF-RHF iter 713:  -118.90483719737330   -1.64116e+01   2.33325e-02 MOM/DAMP
   @DF-RHF iter 714:   -99.19215476039749    1.97127e+01   1.40443e-02 MOM/DAMP
   @DF-RHF iter 715:  -101.52919867155703   -2.33704e+00   2.10338e-02 MOM/DAMP
   @DF-RHF iter 716:   -90.47153647146726    1.10577e+01   4.32278e-02 MOM/DAMP
   @DF-RHF iter 717:   -44.63431937769300    4.58372e+01   2.34946e-02 MOM/DAMP
   @DF-RHF iter 718:   -48.07525280865283   -3.44093e+00   2.00027e-02 MOM/DAMP
   @DF-RHF iter 719:   -83.92111358711028   -3.58459e+01   1.50515e-02 MOM/DAMP
   @DF-RHF iter 720:   -86.94409867907045   -3.02299e+00   3.59827e-02 MOM/DAMP
   @DF-RHF iter 721:  -109.25071008635777   -2.23066e+01   5.02526e-02 MOM/DAMP
   @DF-RHF iter 722:   -61.25672409687984    4.79940e+01   4.24779e-02 MOM/DAMP
   @DF-RHF iter 723:  -114.00660905640216   -5.27499e+01   2.57920e-02 MOM/DAMP
   @DF-RHF iter 724:   -87.37314483650455    2.66335e+01   1.62854e-02 MOM/DAMP
   @DF-RHF iter 725:  -101.40527841955094   -1.40321e+01   1.53562e-02 MOM/DAMP
   @DF-RHF iter 726:  -109.72610431733443   -8.32083e+00   1.40763e-02 MOM/DAMP
   @DF-RHF iter 727:   -87.95849806909050    2.17676e+01   1.41013e-02 MOM/DAMP
   @DF-RHF iter 728:   -88.09398827001471   -1.35490e-01   3.38973e-02 MOM/DAMP
   @DF-RHF iter 729:   -41.86732985574618    4.62267e+01   4.05118e-02 MOM/DAMP
   @DF-RHF iter 730:  -115.38228105751328   -7.35150e+01   3.74101e-02 MOM/DAMP
   @DF-RHF iter 731:  -104.58929009730906    1.07930e+01   2.69592e-02 MOM/DAMP
   @DF-RHF iter 732:   -92.45519236472093    1.21341e+01   1.14368e-02 MOM/DAMP
   @DF-RHF iter 733:  -107.73550543286635   -1.52803e+01   1.20134e-02 MOM/DAMP
   @DF-RHF iter 734:  -107.23861353156748    4.96892e-01   1.27956e-02 MOM/DAMP
   @DF-RHF iter 735:   -93.49874208772346    1.37399e+01   1.14964e-02 MOM/DAMP
   @DF-RHF iter 736:  -107.62322450979008   -1.41245e+01   7.47628e-03 MOM/DAMP
   @DF-RHF iter 737:  -106.52329575855907    1.09993e+00   9.10087e-03 SOSCF, nmicro = 15/MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 738:  -118.41030939291733   -1.18870e+01   4.73124e-02 MOM/DAMP
   @DF-RHF iter 739:  -133.66909102884642   -1.52588e+01   2.81134e-02 MOM/DAMP
   @DF-RHF iter 740:   -86.71282956397327    4.69563e+01   4.97944e-02 MOM/DAMP
   @DF-RHF iter 741:   -59.17078189949009    2.75420e+01   2.13833e-02 MOM/DAMP
   @DF-RHF iter 742:   -77.68782065689018   -1.85170e+01   2.15104e-02 MOM/DAMP
   @DF-RHF iter 743:   -83.87745467460061   -6.18963e+00   1.85679e-02 MOM/DAMP
   @DF-RHF iter 744:   -62.11313831275108    2.17643e+01   3.78752e-02 MOM/DAMP
   @DF-RHF iter 745:   -88.98874206531481   -2.68756e+01   2.47408e-02 MOM/DAMP
   @DF-RHF iter 746:   -55.68434634751878    3.33044e+01   2.71360e-02 MOM/DAMP
   @DF-RHF iter 747:   -92.44533836226427   -3.67610e+01   3.08562e-02 MOM/DAMP
   @DF-RHF iter 748:   -61.78228340198098    3.06631e+01   2.16646e-02 MOM/DAMP
   @DF-RHF iter 749:   -62.02309173371363   -2.40808e-01   4.01814e-02 MOM/DAMP
   @DF-RHF iter 750:  -109.47133622125409   -4.74482e+01   2.20769e-02 MOM/DAMP
   @DF-RHF iter 751:   -89.82193377942167    1.96494e+01   2.12432e-02 MOM/DAMP
   @DF-RHF iter 752:   -84.50910211754444    5.31283e+00   3.15790e-02 MOM/DAMP
   @DF-RHF iter 753:  -101.90116574050622   -1.73921e+01   2.47927e-02 MOM/DAMP
   @DF-RHF iter 754:   -67.86887572591399    3.40323e+01   1.99588e-02 MOM/DAMP
   @DF-RHF iter 755:  -109.66445304020661   -4.17956e+01   2.42015e-02 MOM/DAMP
   @DF-RHF iter 756:   -86.15016918365650    2.35143e+01   4.23002e-02 MOM/DAMP
   @DF-RHF iter 757:  -109.42968867760710   -2.32795e+01   4.75734e-02 MOM/DAMP
   @DF-RHF iter 758:   -77.08509260587880    3.23446e+01   1.80462e-02 MOM/DAMP
   @DF-RHF iter 759:   -86.84105982023328   -9.75597e+00   3.76158e-02 MOM/DAMP
   @DF-RHF iter 760:  -111.94440909215905   -2.51033e+01   2.16465e-02 MOM/DAMP
   @DF-RHF iter 761:   -90.29468794708237    2.16497e+01   1.69600e-02 MOM/DAMP
   @DF-RHF iter 762:  -105.89329879549088   -1.55986e+01   2.66478e-02 MOM/DAMP
   @DF-RHF iter 763:   -65.57865113891640    4.03146e+01   1.51554e-02 MOM/DAMP
   @DF-RHF iter 764:   -64.16449652577839    1.41415e+00   1.49651e-02 MOM/DAMP
   @DF-RHF iter 765:   -75.20362488695767   -1.10391e+01   3.70017e-02 MOM/DAMP
   @DF-RHF iter 766:   -99.60440458322853   -2.44008e+01   3.77731e-02 MOM/DAMP
   @DF-RHF iter 767:   -64.89622466480492    3.47082e+01   2.48322e-02 MOM/DAMP
   @DF-RHF iter 768:   -76.00669453527193   -1.11105e+01   1.11993e-02 MOM/DAMP
   @DF-RHF iter 769:   -85.34001694786950   -9.33332e+00   2.67003e-02 MOM/DAMP
   @DF-RHF iter 770:   -92.53358363232748   -7.19357e+00   3.00454e-02 MOM/DAMP
   @DF-RHF iter 771:   -67.41565535448326    2.51179e+01   3.63144e-02 MOM/DAMP
   @DF-RHF iter 772:   -89.19413803355013   -2.17785e+01   4.27158e-02 MOM/DAMP
   @DF-RHF iter 773:   -34.08655420097057    5.51076e+01   2.15765e-02 MOM/DAMP
   @DF-RHF iter 774:   -75.21181408716120   -4.11253e+01   4.07908e-02 MOM/DAMP
   @DF-RHF iter 775:  -111.18595153602949   -3.59741e+01   1.98771e-02 MOM/DAMP
   @DF-RHF iter 776:  -103.94935816447538    7.23659e+00   3.60739e-02 MOM/DAMP
   @DF-RHF iter 777:   -72.43103878268852    3.15183e+01   1.50684e-02 MOM/DAMP
   @DF-RHF iter 778:   -73.16944077553913   -7.38402e-01   2.58887e-02 MOM/DAMP
   @DF-RHF iter 779:   -82.89935578712723   -9.72992e+00   3.37070e-02 MOM/DAMP
   @DF-RHF iter 780:   -60.32173007754510    2.25776e+01   1.71518e-02 MOM/DAMP
   @DF-RHF iter 781:   -54.17653577544472    6.14519e+00   5.99471e-02 MOM/DAMP
   @DF-RHF iter 782:  -114.30096994643056   -6.01244e+01   3.65441e-02 MOM/DAMP
   @DF-RHF iter 783:   -99.01334046962710    1.52876e+01   1.19558e-02 MOM/DAMP
   @DF-RHF iter 784:   -95.41586279155649    3.59748e+00   8.85243e-03 MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 785:  -108.94568105348453   -1.35298e+01   1.37748e-02 MOM/DAMP
   @DF-RHF iter 786:   -81.16975200061535    2.77759e+01   3.61756e-02 MOM/DAMP
   @DF-RHF iter 787:  -103.22688952636179   -2.20571e+01   3.19559e-02 MOM/DAMP
   @DF-RHF iter 788:  -102.06776494202848    1.15912e+00   2.26794e-02 MOM/DAMP
   @DF-RHF iter 789:   -88.65093945202113    1.34168e+01   1.72314e-02 MOM/DAMP
   @DF-RHF iter 790:   -79.71983772184103    8.93110e+00   1.09615e-02 MOM/DAMP
   @DF-RHF iter 791:   -98.75701062937486   -1.90372e+01   1.11742e-02 MOM/DAMP
   @DF-RHF iter 792:   -87.98755118370912    1.07695e+01   1.03673e-02 MOM/DAMP
   @DF-RHF iter 793:  -100.76817803018406   -1.27806e+01   1.72673e-02 MOM/DAMP
   @DF-RHF iter 794:   -77.05760544868599    2.37106e+01   2.90840e-02 MOM/DAMP
   @DF-RHF iter 795:   -80.47966174072758   -3.42206e+00   1.07729e-02 MOM/DAMP
   @DF-RHF iter 796:   -82.01419079012439   -1.53453e+00   2.18641e-02 MOM/DAMP
   @DF-RHF iter 797:   -83.49036946285582   -1.47618e+00   4.16196e-02 MOM/DAMP
   @DF-RHF iter 798:   -53.64254863982143    2.98478e+01   3.29340e-02 MOM/DAMP
   @DF-RHF iter 799:   -75.37362256746795   -2.17311e+01   2.29399e-02 MOM/DAMP
   @DF-RHF iter 800:   -55.86677507134439    1.95068e+01   1.84893e-02 MOM/DAMP
   @DF-RHF iter 801:   -90.59400430919185   -3.47272e+01   3.70563e-02 MOM/DAMP
   @DF-RHF iter 802:   -96.85012617901197   -6.25612e+00   4.22372e-02 MOM/DAMP
   @DF-RHF iter 803:   -59.74646346148594    3.71037e+01   6.20684e-02 MOM/DAMP
   @DF-RHF iter 804:  -115.42527981806251   -5.56788e+01   5.27721e-02 MOM/DAMP
   @DF-RHF iter 805:   -68.69170729030080    4.67336e+01   2.92465e-02 MOM/DAMP
   @DF-RHF iter 806:  -105.50362724482227   -3.68119e+01   1.04415e-02 MOM/DAMP
   @DF-RHF iter 807:  -119.41519519757591   -1.39116e+01   1.19747e-02 MOM/DAMP
   @DF-RHF iter 808:   -89.82085189726143    2.95943e+01   1.63527e-02 MOM/DAMP
   @DF-RHF iter 809:   -95.97367022308238   -6.15282e+00   1.04871e-02 MOM/DAMP
   @DF-RHF iter 810:   -82.99189344258531    1.29818e+01   1.19279e-02 MOM/DAMP
   @DF-RHF iter 811:  -116.96649396065709   -3.39746e+01   1.80433e-02 MOM/DAMP
   @DF-RHF iter 812:  -101.61739450387122    1.53491e+01   2.17121e-02 MOM/DAMP
   @DF-RHF iter 813:   -90.37228795006394    1.12451e+01   2.10955e-02 MOM/DAMP
   @DF-RHF iter 814:   -73.23988222835743    1.71324e+01   4.27192e-02 MOM/DAMP
   @DF-RHF iter 815:  -110.56595696566623   -3.73261e+01   1.87522e-02 MOM/DAMP
   @DF-RHF iter 816:   -96.27972270482400    1.42862e+01   1.34983e-02 MOM/DAMP
   @DF-RHF iter 817:  -101.49835159599709   -5.21863e+00   2.23272e-02 MOM/DAMP
   @DF-RHF iter 818:  -120.13576450259949   -1.86374e+01   1.99934e-02 MOM/DAMP
   @DF-RHF iter 819:   -97.52444156649096    2.26113e+01   2.31713e-02 MOM/DAMP
   @DF-RHF iter 820:  -104.55653980992597   -7.03210e+00   1.61508e-02 MOM/DAMP
   @DF-RHF iter 821:  -106.28299296487023   -1.72645e+00   1.66038e-02 MOM/DAMP
   @DF-RHF iter 822:  -117.36477428662158   -1.10818e+01   2.30731e-02 MOM/DAMP
   @DF-RHF iter 823:   -90.86042117520063    2.65044e+01   5.21434e-02 MOM/DAMP
   @DF-RHF iter 824:   -79.18206714181272    1.16784e+01   3.17612e-02 MOM/DAMP
   @DF-RHF iter 825:   -70.41294839868095    8.76912e+00   2.29708e-02 MOM/DAMP
   @DF-RHF iter 826:   -73.23265243007381   -2.81970e+00   2.66944e-02 MOM/DAMP
   @DF-RHF iter 827:   -80.63132900400343   -7.39868e+00   1.20563e-02 MOM/DAMP
   @DF-RHF iter 828:  -100.11305957191422   -1.94817e+01   2.79107e-02 MOM/DAMP
   @DF-RHF iter 829:  -121.19449143122860   -2.10814e+01   3.14539e-02 MOM/DAMP
   @DF-RHF iter 830:  -104.93835074452795    1.62561e+01   1.47948e-02 MOM/DAMP
   @DF-RHF iter 831:   -92.74911912179601    1.21892e+01   1.17401e-02 MOM/DAMP
   @DF-RHF iter 832:  -116.58214004561161   -2.38330e+01   2.81542e-02 MOM/DAMP
   @DF-RHF iter 833:  -102.77027148692716    1.38119e+01   3.46058e-02 MOM/DAMP
   @DF-RHF iter 834:   -84.91663436700620    1.78536e+01   1.57670e-02 MOM/DAMP
   @DF-RHF iter 835:   -91.81301855639434   -6.89638e+00   2.78105e-02 MOM/DAMP
   @DF-RHF iter 836:   -86.06909090989807    5.74393e+00   2.45268e-02 MOM/DAMP
   @DF-RHF iter 837:   -84.57299709806597    1.49609e+00   2.24827e-02 MOM/DAMP
   @DF-RHF iter 838:   -91.33755291072649   -6.76456e+00   1.50434e-02 MOM/DAMP
   @DF-RHF iter 839:  -115.07185422333617   -2.37343e+01   1.19168e-02 MOM/DAMP
   @DF-RHF iter 840:   -91.04406625455803    2.40278e+01   1.40078e-02 MOM/DAMP
   @DF-RHF iter 841:  -101.36118421168031   -1.03171e+01   2.75666e-02 MOM/DAMP
   @DF-RHF iter 842:   -81.96421778141328    1.93970e+01   1.28923e-02 MOM/DAMP
   @DF-RHF iter 843:   -84.63122120835497   -2.66700e+00   2.51985e-02 MOM/DAMP
   @DF-RHF iter 844:  -105.64690810264233   -2.10157e+01   2.35801e-02 MOM/DAMP
   @DF-RHF iter 845:   -79.60082261095295    2.60461e+01   2.94795e-02 MOM/DAMP
   @DF-RHF iter 846:   -96.25305192481324   -1.66522e+01   3.04801e-02 MOM/DAMP
   @DF-RHF iter 847:   -84.95078051766734    1.13023e+01   2.12117e-02 MOM/DAMP
   @DF-RHF iter 848:   -87.55975654147667   -2.60898e+00   2.69841e-02 MOM/DAMP
   @DF-RHF iter 849:   -78.32200138837962    9.23776e+00   3.85111e-02 MOM/DAMP
   @DF-RHF iter 850:   -94.15865649283977   -1.58367e+01   1.26121e-02 MOM/DAMP
   @DF-RHF iter 851:  -109.83696425555169   -1.56783e+01   1.22816e-02 MOM/DAMP
   @DF-RHF iter 852:   -93.35429661357433    1.64827e+01   2.31835e-02 MOM/DAMP
   @DF-RHF iter 853:   -91.90716963159070    1.44713e+00   1.43609e-02 MOM/DAMP
   @DF-RHF iter 854:   -81.05190507332654    1.08553e+01   2.36070e-02 MOM/DAMP
   @DF-RHF iter 855:  -110.66557269459230   -2.96137e+01   1.74932e-02 MOM/DAMP
   @DF-RHF iter 856:   -97.18954706716274    1.34760e+01   1.80338e-02 MOM/DAMP
   @DF-RHF iter 857:   -92.31688199080060    4.87267e+00   6.49845e-02 MOM/DAMP
   @DF-RHF iter 858:   -45.03189088819667    4.72850e+01   3.47690e-02 MOM/DAMP
   @DF-RHF iter 859:   -66.95008365199742   -2.19182e+01   2.14344e-02 MOM/DAMP
   @DF-RHF iter 860:   -80.06362795676162   -1.31135e+01   3.15964e-02 MOM/DAMP
   @DF-RHF iter 861:   -83.56215930897817   -3.49853e+00   4.10743e-02 MOM/DAMP
   @DF-RHF iter 862:   -61.23868413472860    2.23235e+01   2.92169e-02 MOM/DAMP
   @DF-RHF iter 863:   -99.42101536119347   -3.81823e+01   1.78448e-02 MOM/DAMP
   @DF-RHF iter 864:   -72.92636820805208    2.64946e+01   1.59213e-02 MOM/DAMP
   @DF-RHF iter 865:   -93.92595520634124   -2.09996e+01   1.35247e-02 MOM/DAMP
   @DF-RHF iter 866:   -85.18327015195177    8.74269e+00   4.63179e-02 MOM/DAMP
   @DF-RHF iter 867:  -113.15548355803267   -2.79722e+01   5.52143e-02 MOM/DAMP
   @DF-RHF iter 868:   -78.53185731975316    3.46236e+01   1.91516e-02 MOM/DAMP
   @DF-RHF iter 869:   -80.69067724784004   -2.15882e+00   1.05073e-02 MOM/DAMP
   @DF-RHF iter 870:   -67.22155026385181    1.34691e+01   5.77365e-02 MOM/DAMP
   @DF-RHF iter 871:  -121.50165078742009   -5.42801e+01   3.90618e-02 MOM/DAMP
   @DF-RHF iter 872:   -75.30432996627360    4.61973e+01   2.11466e-02 MOM/DAMP
   @DF-RHF iter 873:   -61.03584719433900    1.42685e+01   3.75686e-02 MOM/DAMP
   @DF-RHF iter 874:  -102.42077656562711   -4.13849e+01   1.42382e-02 MOM/DAMP
   @DF-RHF iter 875:  -103.36607611941992   -9.45300e-01   1.37651e-02 MOM/DAMP
   @DF-RHF iter 876:  -112.90171569816945   -9.53564e+00   2.19719e-02 MOM/DAMP
   @DF-RHF iter 877:   -80.18656882366859    3.27151e+01   1.94897e-02 MOM/DAMP
   @DF-RHF iter 878:   -90.30721676993484   -1.01206e+01   2.36978e-02 MOM/DAMP
   @DF-RHF iter 879:  -115.47174819103913   -2.51645e+01   2.49482e-02 MOM/DAMP
   @DF-RHF iter 880:  -105.45336294551208    1.00184e+01   3.03952e-02 MOM/DAMP
   @DF-RHF iter 881:  -112.78999462543899   -7.33663e+00   3.87025e-02 MOM/DAMP
   @DF-RHF iter 882:   -65.02774790562850    4.77622e+01   3.40903e-02 MOM/DAMP
   @DF-RHF iter 883:   -35.09916294646633    2.99286e+01   1.30023e-02 MOM/DAMP
   @DF-RHF iter 884:   -28.55867758966773    6.54049e+00   1.81005e-02 MOM/DAMP
   @DF-RHF iter 885:   -35.14553129691234   -6.58685e+00   2.69357e-02 MOM/DAMP
   @DF-RHF iter 886:   -88.93386255783673   -5.37883e+01   2.78412e-02 MOM/DAMP
   @DF-RHF iter 887:   -80.68160841671983    8.25225e+00   1.11121e-02 MOM/DAMP
   @DF-RHF iter 888:   -90.12712376193664   -9.44552e+00   2.18276e-02 MOM/DAMP
   @DF-RHF iter 889:   -94.30811141920384   -4.18099e+00   5.54957e-02 MOM/DAMP
   @DF-RHF iter 890:   -79.39352729208512    1.49146e+01   3.50885e-02 MOM/DAMP
   @DF-RHF iter 891:  -109.71907132198177   -3.03255e+01   2.57110e-02 MOM/DAMP
   @DF-RHF iter 892:   -90.63030732284123    1.90888e+01   1.62361e-02 MOM/DAMP
   @DF-RHF iter 893:  -125.18079441899943   -3.45505e+01   2.08182e-02 MOM/DAMP
   @DF-RHF iter 894:   -67.41822171499375    5.77626e+01   4.73022e-02 MOM/DAMP
   @DF-RHF iter 895:  -117.81594047824632   -5.03977e+01   3.28440e-02 MOM/DAMP
   @DF-RHF iter 896:   -82.97519226658710    3.48407e+01   2.72716e-02 MOM/DAMP
   @DF-RHF iter 897:   -53.54930276284391    2.94259e+01   1.97484e-02 MOM/DAMP
   @DF-RHF iter 898:   -51.01689427341701    2.53241e+00   1.40153e-02 MOM/DAMP
   @DF-RHF iter 899:   -58.75846438414441   -7.74157e+00   1.19357e-02 MOM/DAMP
   @DF-RHF iter 900:   -53.91220617337152    4.84626e+00   6.33774e-02 MOM/DAMP
   @DF-RHF iter 901:  -114.68628364358767   -6.07741e+01   2.88524e-02 MOM/DAMP
   @DF-RHF iter 902:   -98.23297356581035    1.64533e+01   1.14505e-02 MOM/DAMP
   @DF-RHF iter 903:  -113.90743152322530   -1.56745e+01   1.11724e-02 MOM/DAMP
   @DF-RHF iter 904:   -99.56260199173612    1.43448e+01   1.21848e-02 MOM/DAMP
   @DF-RHF iter 905:   -97.02488245238082    2.53772e+00   1.67160e-02 MOM/DAMP
   @DF-RHF iter 906:   -90.68296116081237    6.34192e+00   2.47079e-02 MOM/DAMP
   @DF-RHF iter 907:   -74.12703413491646    1.65559e+01   4.19122e-02 MOM/DAMP
   @DF-RHF iter 908:  -113.18342773927122   -3.90564e+01   2.95817e-02 MOM/DAMP
   @DF-RHF iter 909:   -93.99752276121720    1.91859e+01   2.13421e-02 MOM/DAMP
   @DF-RHF iter 910:   -89.37341840536560    4.62410e+00   1.55084e-02 MOM/DAMP
   @DF-RHF iter 911:  -101.67621914280953   -1.23028e+01   2.14209e-02 MOM/DAMP
   @DF-RHF iter 912:  -105.90985412800615   -4.23363e+00   1.77392e-02 MOM/DAMP
   @DF-RHF iter 913:  -111.06315715198167   -5.15330e+00   2.88370e-02 MOM/DAMP
   @DF-RHF iter 914:   -94.99701334968077    1.60661e+01   1.74727e-02 MOM/DAMP
   @DF-RHF iter 915:   -81.77379771665812    1.32232e+01   1.39128e-02 MOM/DAMP
   @DF-RHF iter 916:   -84.08342594412495   -2.30963e+00   3.43317e-02 MOM/DAMP
   @DF-RHF iter 917:  -126.52224329629470   -4.24388e+01   3.51186e-02 MOM/DAMP
   @DF-RHF iter 918:   -63.83741298785252    6.26848e+01   2.06836e-02 MOM/DAMP
   @DF-RHF iter 919:   -71.85356679955808   -8.01615e+00   1.47775e-02 MOM/DAMP
   @DF-RHF iter 920:   -84.62064638154291   -1.27671e+01   3.14077e-02 MOM/DAMP
   @DF-RHF iter 921:  -113.31053856329882   -2.86899e+01   2.40307e-02 MOM/DAMP
   @DF-RHF iter 922:   -91.29726623121935    2.20133e+01   2.35876e-02 MOM/DAMP
   @DF-RHF iter 923:   -80.04704154785183    1.12502e+01   1.14981e-02 MOM/DAMP
   @DF-RHF iter 924:   -86.69968871172624   -6.65265e+00   1.92410e-02 MOM/DAMP
   @DF-RHF iter 925:   -77.08492331389476    9.61477e+00   4.43309e-02 MOM/DAMP
   @DF-RHF iter 926:   -91.94192260281937   -1.48570e+01   5.60439e-02 MOM/DAMP
   @DF-RHF iter 927:   -63.22840307261261    2.87135e+01   4.77894e-02 MOM/DAMP
   @DF-RHF iter 928:  -102.68219829770000   -3.94538e+01   3.17412e-02 MOM/DAMP
   @DF-RHF iter 929:   -83.21840259152255    1.94638e+01   2.80992e-02 MOM/DAMP
   @DF-RHF iter 930:   -90.16846465215647   -6.95006e+00   3.35425e-02 MOM/DAMP
   @DF-RHF iter 931:   -58.93613990721411    3.12323e+01   1.58569e-02 MOM/DAMP
   @DF-RHF iter 932:   -52.48961453103413    6.44653e+00   4.01627e-02 MOM/DAMP
   @DF-RHF iter 933:  -110.46379107380854   -5.79742e+01   3.28428e-02 MOM/DAMP
   @DF-RHF iter 934:   -97.77779515842445    1.26860e+01   1.56492e-02 MOM/DAMP
   @DF-RHF iter 935:   -93.89510037213481    3.88269e+00   2.45551e-02 MOM/DAMP
   @DF-RHF iter 936:  -102.78075301878977   -8.88565e+00   4.13862e-02 MOM/DAMP
   @DF-RHF iter 937:   -65.01670491747188    3.77640e+01   2.22733e-02 MOM/DAMP
   @DF-RHF iter 938:   -65.19962938887259   -1.82924e-01   6.81857e-02 MOM/DAMP
   @DF-RHF iter 939:   -86.48668302068575   -2.12871e+01   6.38447e-02 MOM/DAMP
   @DF-RHF iter 940:   -68.66001250612673    1.78267e+01   5.33208e-02 MOM/DAMP
   @DF-RHF iter 941:   -93.81246381130437   -2.51525e+01   1.52850e-02 MOM/DAMP
   @DF-RHF iter 942:   -87.48787990280451    6.32458e+00   1.56075e-02 MOM/DAMP
   @DF-RHF iter 943:  -112.58824521298800   -2.51004e+01   1.72401e-02 MOM/DAMP
   @DF-RHF iter 944:  -101.42082485520831    1.11674e+01   2.45077e-02 MOM/DAMP
   @DF-RHF iter 945:  -107.78866912878841   -6.36784e+00   3.93239e-02 MOM/DAMP
   @DF-RHF iter 946:   -68.09986966999091    3.96888e+01   2.92084e-02 MOM/DAMP
   @DF-RHF iter 947:  -104.14165066815931   -3.60418e+01   1.74920e-02 MOM/DAMP
   @DF-RHF iter 948:   -99.03365113307450    5.10800e+00   2.17542e-02 MOM/DAMP
   @DF-RHF iter 949:  -119.15581178005009   -2.01222e+01   1.84428e-02 MOM/DAMP
   @DF-RHF iter 950:   -94.73624609646413    2.44196e+01   2.61333e-02 MOM/DAMP
   @DF-RHF iter 951:  -105.36309856888485   -1.06269e+01   2.22291e-02 MOM/DAMP
   @DF-RHF iter 952:   -79.45109916972353    2.59120e+01   2.06383e-02 MOM/DAMP
   @DF-RHF iter 953:   -78.53376989031904    9.17329e-01   1.81747e-02 MOM/DAMP
   @DF-RHF iter 954:   -89.43742729304014   -1.09037e+01   3.86570e-02 MOM/DAMP
   @DF-RHF iter 955:  -102.75946247696029   -1.33220e+01   4.95413e-02 MOM/DAMP
   @DF-RHF iter 956:   -60.61931988945432    4.21401e+01   3.78148e-02 MOM/DAMP
   @DF-RHF iter 957:   -93.87166123334438   -3.32523e+01   2.51889e-02 MOM/DAMP
   @DF-RHF iter 958:   -94.39872255565570   -5.27061e-01   2.28468e-02 MOM/DAMP
   @DF-RHF iter 959:   -98.69317840354719   -4.29446e+00   2.74192e-02 MOM/DAMP
   @DF-RHF iter 960:   -98.48877784768325    2.04401e-01   2.56452e-02 MOM/DAMP
   @DF-RHF iter 961:  -121.36454510507755   -2.28758e+01   1.92261e-02 MOM/DAMP
   @DF-RHF iter 962:   -93.16330466184172    2.82012e+01   1.72819e-02 MOM/DAMP
   @DF-RHF iter 963:  -101.23436562404176   -8.07106e+00   3.31203e-02 MOM/DAMP
   @DF-RHF iter 964:  -110.33817541511115   -9.10381e+00   2.02150e-02 MOM/DAMP
   @DF-RHF iter 965:   -66.33396207612856    4.40042e+01   3.83558e-02 MOM/DAMP
   @DF-RHF iter 966:  -116.96574758938934   -5.06318e+01   6.41790e-02 MOM/DAMP
   @DF-RHF iter 967:   -81.31288754326491    3.56529e+01   1.72162e-02 MOM/DAMP
   @DF-RHF iter 968:   -60.03223122237578    2.12807e+01   3.94576e-02 MOM/DAMP
   @DF-RHF iter 969:  -109.06642219381224   -4.90342e+01   2.37476e-02 MOM/DAMP
   @DF-RHF iter 970:   -93.89101109246045    1.51754e+01   1.33313e-02 MOM/DAMP
   @DF-RHF iter 971:  -102.11605318977148   -8.22504e+00   1.88449e-02 MOM/DAMP
   @DF-RHF iter 972:  -101.84986536981117    2.66188e-01   9.68536e-03 MOM/DAMP
Did not take a SOSCF step, using normal convergence methods
   @DF-RHF iter 973:  -108.97941340086982   -7.12955e+00   1.74881e-02 MOM/DAMP
   @DF-RHF iter 974:   -98.01591639037133    1.09635e+01   1.32519e-02 MOM/DAMP
   @DF-RHF iter 975:   -90.80370099391089    7.21222e+00   3.26842e-02 MOM/DAMP
   @DF-RHF iter 976:   -44.12636232011153    4.66773e+01   3.00636e-02 MOM/DAMP
   @DF-RHF iter 977:   -81.19280272766018   -3.70664e+01   1.49826e-02 MOM/DAMP
   @DF-RHF iter 978:   -74.91102988447318    6.28177e+00   2.42334e-02 MOM/DAMP
   @DF-RHF iter 979:  -115.21070265269137   -4.02997e+01   2.57750e-02 MOM/DAMP
   @DF-RHF iter 980:   -84.01020762470884    3.12005e+01   1.53711e-02 MOM/DAMP
   @DF-RHF iter 981:   -72.11748531302169    1.18927e+01   1.64051e-02 MOM/DAMP
   @DF-RHF iter 982:   -71.21940917383237    8.98076e-01   2.93102e-02 MOM/DAMP
   @DF-RHF iter 983:   -98.50535153959311   -2.72859e+01   2.55298e-02 MOM/DAMP
   @DF-RHF iter 984:   -93.51001555372424    4.99534e+00   3.14981e-02 MOM/DAMP
   @DF-RHF iter 985:  -108.99298755128467   -1.54830e+01   2.24495e-02 MOM/DAMP
   @DF-RHF iter 986:   -93.93528827222713    1.50577e+01   4.15781e-02 MOM/DAMP
   @DF-RHF iter 987:   -75.14512390532308    1.87902e+01   3.45432e-02 MOM/DAMP
   @DF-RHF iter 988:  -112.62536866958287   -3.74802e+01   1.99352e-02 MOM/DAMP
   @DF-RHF iter 989:   -80.46790471868147    3.21575e+01   3.16688e-02 MOM/DAMP
   @DF-RHF iter 990:   -94.36045601454106   -1.38926e+01   1.92269e-02 MOM/DAMP
   @DF-RHF iter 991:   -71.09826565219493    2.32622e+01   1.48767e-02 MOM/DAMP
   @DF-RHF iter 992:  -108.18627060073808   -3.70880e+01   1.28156e-02 MOM/DAMP
   @DF-RHF iter 993:  -104.23404351448727    3.95223e+00   2.16293e-02 MOM/DAMP
   @DF-RHF iter 994:  -109.66791507232126   -5.43387e+00   1.82037e-02 MOM/DAMP
   @DF-RHF iter 995:   -97.74271473801612    1.19252e+01   1.65458e-02 MOM/DAMP
   @DF-RHF iter 996:  -114.22371437052732   -1.64810e+01   1.80627e-02 MOM/DAMP
   @DF-RHF iter 997:   -96.02972744448547    1.81940e+01   1.91861e-02 MOM/DAMP
   @DF-RHF iter 998:   -60.44152032463767    3.55882e+01   2.86727e-02 MOM/DAMP
   @DF-RHF iter 999:  -102.35572773223279   -4.19142e+01   2.66687e-02 MOM/DAMP
   @DF-RHF iter 1000:   -92.98559739092956    9.37013e+00   3.47186e-02 MOM/DAMP

  ==> Post-Iterations <==

  Failed to converge.
Iterations did not converge.
Traceback (most recent call last):
  File "/home/mirna.damergi1/yes/envs/p4env/bin/psi4", line 269, in <module>
    exec(content)
  File "<string>", line 106, in <module>
  File "/home/mirna.damergi1/yes/envs/p4env/lib//python3.6/site-packages/psi4/driver/driver.py", line 440, in energy
    return driver_nbody.nbody_gufunc(energy, name, ptype='energy', **kwargs)
  File "/home/mirna.damergi1/yes/envs/p4env/lib//python3.6/site-packages/psi4/driver/driver_nbody.py", line 225, in nbody_gufunc
    component_results = compute_nbody_components(func, method_string, metadata)
  File "/home/mirna.damergi1/yes/envs/p4env/lib//python3.6/site-packages/psi4/driver/driver_nbody.py", line 413, in compute_nbody_components
    ptype_dict[pair] = func(method_string, molecule=current_mol, **kwargs)
  File "/home/mirna.damergi1/yes/envs/p4env/lib//python3.6/site-packages/psi4/driver/driver.py", line 492, in energy
    wfn = procedures['energy'][lowername](lowername, molecule=molecule, **kwargs)
  File "/home/mirna.damergi1/yes/envs/p4env/lib//python3.6/site-packages/psi4/driver/procrouting/proc.py", line 128, in select_mp2
    return func(name, **kwargs)
  File "/home/mirna.damergi1/yes/envs/p4env/lib//python3.6/site-packages/psi4/driver/procrouting/proc.py", line 3082, in run_dfmp2
    ref_wfn = scf_helper(name, **kwargs)  # C1 certified
  File "/home/mirna.damergi1/yes/envs/p4env/lib//python3.6/site-packages/psi4/driver/procrouting/proc.py", line 1363, in scf_helper
    e_scf = scf_wfn.compute_energy()

RuntimeError: 
Fatal Error: Iterations did not converge.
Error occurred in file: /scratch/psilocaluser/conda-builds/psi4-multiout_1532493090788/work/psi4/src/psi4/libpsi4util/process.cc on line: 112
The most recent 5 function calls were:



    Psi4 stopped on: Tuesday, 13 November 2018 04:03PM
    Psi4 wall time for execution: 0:09:01.84

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*** Resources and help at github.com/psi4/psi4.