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******************************************************************************
PSI3 started on augustus.chemistry.gatech.edu at Wed Mar 12 18:35:39 2008

    -----------------------------------------------------------------------    
            PSI3: An Open-Source Ab Initio Electronic Structure Package 
                                Version 3.4 Alpha

    T. D. Crawford, C. D. Sherrill, E. F. Valeev, J. T. Fermann, R. A. King,
    M. L. Leininger, S. T. Brown, C. L. Janssen, E. T. Seidl, J. P. Kenny,
    and W. D. Allen, J. Comput. Chem. 28, 1610-1616 (2007)
    -----------------------------------------------------------------------    

PSI3 will perform a RHF EOM_CCSD energy computation.

The following programs will be executed:

 input
 cints
 cscf
 transqt2
 ccsort
 ccenergy
 cchbar
 cceom
 psiclean

******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:39 2008

                                --------------
                                    INPUT
                                --------------

  LABEL       =	EOM-CCSD/aug-cc-pVTZ H2O for testing OOC ovvv codes
  SHOWNORM    =	0
  PUREAM      =	0
  PRINT_LVL   =	1

  Parsed basis sets from /theoryfs/ds/home/ashley/psi3/lib/pbasis.dat
Coordinates after reading z-matrices

           1           2           3

    1   0.0000000   0.0000000   0.0000000
    2   0.0000000   0.0000000   1.7007534
    3   1.6502337   0.0000000   2.1122029

  -Geometry before Center-of-Mass shift (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
        HYDROGEN      0.000000000000     0.000000000000     0.000000000000
          OXYGEN      0.000000000000     0.000000000000     1.700753389721
        HYDROGEN      1.650233745496     0.000000000000     2.112202873710


  -Rotational constants (cm-1) :
    A =   30.67311  B =   16.62770  C =   10.78255
    It is an asymmetric top.

  -Geometry after Center-of-Mass shift and reorientation (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
        HYDROGEN     -1.340211960333     0.929903582084     0.000000000000
          OXYGEN     -0.000000000000    -0.117184758997     0.000000000000
        HYDROGEN      1.340211960333     0.929903582084     0.000000000000


  -SYMMETRY INFORMATION:
    Computational point group is C2v 
    Number of irr. rep.      = 4
    Number of atoms          = 3
    Number of unique atoms   = 2


  -BASIS SETS:

   -Basis set on unique center 1:
      ( (S ( 15330.00000000     0.00050800)
           (  2299.00000000     0.00392900)
           (   522.40000000     0.02024300)
           (   147.30000000     0.07918100)
           (    47.55000000     0.23068700)
           (    16.76000000     0.43311800)
           (     6.20700000     0.35026000)
           (     1.75200000     0.04272800)
           (     0.68820000    -0.00815400)
           (     0.23840000     0.00238100) )
        (S ( 15330.00000000    -0.00011500)
           (  2299.00000000    -0.00089500)
           (   522.40000000    -0.00463600)
           (   147.30000000    -0.01872400)
           (    47.55000000    -0.05846300)
           (    16.76000000    -0.13646300)
           (     6.20700000    -0.17574000)
           (     1.75200000     0.16093400)
           (     0.68820000     0.60341800)
           (     0.23840000     0.37876500) )
        (S (     1.75200000     1.00000000) )
        (S (     0.23840000     1.00000000) )
        (P (    34.46000000     0.01592800)
           (     7.74900000     0.09974000)
           (     2.28000000     0.31049200)
           (     0.71560000     0.49102600)
           (     0.21400000     0.33633700) )
        (P (     0.71560000     1.00000000) )
        (P (     0.21400000     1.00000000) )
        (D (     2.31400000     1.00000000) )
        (D (     0.64500000     1.00000000) )
        (F (     1.42800000     1.00000000) )
        (S (     0.07376000     1.00000000) )
        (P (     0.05974000     1.00000000) )
        (D (     0.21400000     1.00000000) )
        (F (     0.50000000     1.00000000) )
       )

   -Basis set on unique center 2:
      ( (S (    33.87000000     0.00606800)
           (     5.09500000     0.04530800)
           (     1.15900000     0.20282200)
           (     0.32580000     0.50390300)
           (     0.10270000     0.38342100) )
        (S (     0.32580000     1.00000000) )
        (S (     0.10270000     1.00000000) )
        (P (     1.40700000     1.00000000) )
        (P (     0.38800000     1.00000000) )
        (D (     1.05700000     1.00000000) )
        (S (     0.02526000     1.00000000) )
        (P (     0.10200000     1.00000000) )
        (D (     0.24700000     1.00000000) )
       )


  -BASIS SET INFORMATION:
    Total number of shells = 32
    Number of primitives   = 49
    Number of AO           = 105
    Number of SO           = 92

    Irrep    Number of SO
    -----    ------------
      1           35
      2           12
      3           18
      4           27


  -Unique atoms in the canonical coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          OXYGEN      0.000000000000    -0.000000000000    -0.117184758997
        HYDROGEN      0.000000000000     1.340211960333     0.929903582084


  -Geometry in the canonical coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
        HYDROGEN      0.000000000000    -1.340211960333     0.929903582084
          OXYGEN      0.000000000000    -0.000000000000    -0.117184758997
        HYDROGEN      0.000000000000     1.340211960333     0.929903582084


  -Geometry in the canonical coordinate system (Angstrom):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
        HYDROGEN      0.000000000000    -0.709209678246     0.492083819402
          OXYGEN      0.000000000000    -0.000000000000    -0.062011508391
        HYDROGEN      0.000000000000     0.709209678246     0.492083819402


  -Geometry in the reference coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
        HYDROGEN      0.000000000000    -1.340211960333     0.929903582084
          OXYGEN      0.000000000000    -0.000000000000    -0.117184758997
        HYDROGEN      0.000000000000     1.340211960333     0.929903582084


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

    Nuclear Repulsion Energy (a.u.) =       9.780670853324

  -The Interatomic Distances in angstroms:

           1           2           3

    1   0.0000000
    2   0.9000000   0.0000000
    3   1.4184194   0.9000000   0.0000000

    Note: To print *all* bond angles, out-of-plane
          angles, and torsion angles set print = 3


******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:40 2008

user time   =       0.04 seconds =       0.00 minutes
system time =       0.00 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:40 2008

                  --------------------------------------------
                    CINTS: An integrals program written in C
                     Justin T. Fermann and Edward F. Valeev
                  --------------------------------------------


  -OPTIONS:
    Print level                 = 1
    Integral tolerance          = 1e-15
    Max. memory to use          = 250000 double words
    Number of threads           = 1
    LIBINT's real type length   = 64 bit

  -CALCULATION CONSTANTS:
    Label                       = EOM-CCSD/aug-cc-pVTZ H2O for testing OOC ovvv codes
    Number of atoms             = 3
    Number of atomic orbitals   = 105
    Number of symmetry orbitals = 92
    Maximum AM in the basis     = 3

  -SYMMETRY INFORMATION;
    Computational point group        = C2v
    Number of irreps                 = 4

    Wrote 2169500 two-electron integrals to IWL file 33

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:41 2008

user time   =       1.02 seconds =       0.02 minutes
system time =       0.15 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:41 2008


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

                CSCF3.0: An SCF program written in C

              Written by too many people to mention here

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

  I think the multiplicity is 1.
  If this is wrong, please specify the MULTP keyword

  label        = EOM-CCSD/aug-cc-pVTZ H2O for testing OOC ovvv codes
  wfn          = EOM_CCSD
  reference    = RHF
  multiplicity = 1
  charge       = 0
  direct       = false
  dertype      = NONE
  convergence  = 10
  maxiter      = 100
  guess        = AUTO

  nuclear repulsion energy        9.7806708533239
  first run, so defaulting to core-hamiltonian guess

  level shift                      = 0.100000

  level shifting will stop after 10 cycles
  diis scale factor                = 1.000000
  iterations before extrapolation  = 0
  6 error matrices will be kept

  using buffered io, 2 buffers, each 6325248 bytes in size

  The lowest eigenvalue of the overlap matrix was 3.281128e-04

  Using core guess to determine occupations


  Symmetry block:   A1    A2    B1    B2   
  DOCC:              3     0     1     1   
  SOCC:              0     0     0     0   

  reading integrals in the IWL format from files 33,35,36,37
  wrote 729244 integrals to file92

  iter       total energy        delta E         delta P          diiser
    1       -61.4645374601    7.124521e+01    0.000000e+00    0.000000e+00
    2       -63.2740390784    1.809502e+00    6.280209e-02    1.890716e+00
    3       -72.4637426704    9.189704e+00    5.635760e-02    7.665260e-01
    4       -74.3659154835    1.902173e+00    3.568050e-03    8.446717e-01
    5       -76.0456371227    1.679722e+00    4.458872e-03    5.813356e-01
    6       -76.0514754083    5.838286e-03    6.149544e-04    2.762490e-02
    7       -76.0565307856    5.055377e-03    1.605341e-04    2.302639e-02
    8       -76.0567564140    2.256284e-04    4.229793e-05    5.170422e-03
    9       -76.0567577170    1.303027e-06    3.236072e-06    3.099074e-04
   10       -76.0567577580    4.098541e-08    6.107197e-07    6.017146e-05
   11       -76.0567577614    3.365997e-09    2.124440e-07    1.471984e-05
   12       -76.0567577614    7.129586e-11    3.433340e-08    1.731503e-06
   13       -76.0567577614    1.833200e-12    6.461779e-09    3.651039e-07
   14       -76.0567577614   -5.684342e-14    1.291380e-09    8.087768e-08
   15       -76.0567577614    1.847411e-13    1.730913e-10    1.241295e-08
   16       -76.0567577614   -1.421085e-13    4.610334e-11    2.949275e-09

Orbital energies (a.u.):

  Doubly occupied orbitals
   1A1    -20.556724     2A1     -1.385881     1B2     -0.749466  
   3A1     -0.596900     1B1     -0.515686  


  Unoccupied orbitals
   4A1      0.030054     2B2      0.047915     5A1      0.135853  
   2B1      0.155628     6A1      0.176788     3B2      0.182635  
   4B2      0.232410     7A1      0.248114     1A2      0.266056  
   3B1      0.303275     8A1      0.312231     5B2      0.368410  
   9A1      0.450126     6B2      0.475769     7B2      0.604218  
  10A1      0.665438    11A1      0.710811     2A2      0.723015  
   4B1      0.729925    12A1      0.848584     5B1      0.853205  
  13A1      0.884046     6B1      0.912026     8B2      0.924666  
   3A2      0.929607     9B2      0.938324    14A1      0.966555  
  15A1      1.052445    10B2      1.068920     7B1      1.088307  
  11B2      1.121261     4A2      1.191028    16A1      1.201528  
  12B2      1.240700    17A1      1.523653     5A2      1.529594  
   8B1      1.621716    18A1      1.779575    13B2      1.872728  
  14B2      2.064097    19A1      2.167018     9B1      2.271089  
  20A1      2.318305     6A2      2.332495    21A1      2.432088  
  10B1      2.434492    15B2      2.436064    22A1      2.507329  
  16B2      2.641835    11B1      2.676926    17B2      2.830856  
  23A1      2.835203     7A2      2.917135    18B2      3.745371  
  24A1      3.816948     8A2      4.075486    12B1      4.150796  
  25A1      4.187127    13B1      4.318306    19B2      4.354149  
  26A1      4.392887     9A2      4.409976    14B1      4.474883  
  20B2      4.558877    27A1      4.795315    21B2      5.003710  
  22B2      5.233412    10A2      5.315394    23B2      5.429964  
  28A1      5.582887    15B1      5.703698    29A1      5.761938  
  30A1      6.284614    24B2      6.516549    16B1      6.734620  
  31A1      7.074867    17B1      7.143693    11A2      7.314220  
  32A1      7.336826    18B1      7.374024    25B2      7.471597  
  12A2      7.525967    33A1      7.739480    34A1      8.038641  
  26B2      8.197059    27B2      9.101198    35A1     17.767838  


      * SCF total energy   =     -76.056757761447
        kinetic energy     =      76.213246106977
        nuc. attr. energy  =    -200.278790557603
        elec. rep. energy  =      48.008786689178
        potential energy   =    -152.270003868425
        virial theorem     =       2.002057520596
        wavefunction norm  =       1.000000000000
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:41 2008

user time   =       0.28 seconds =       0.00 minutes
system time =       0.14 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:41 2008


	**************************************************
	* TRANSQT2: Program to transform integrals from  *
	*           the SO basis to the MO basis.        *
	*                                                *
	*            Daniel, David, & Justin             *
	**************************************************


	Input parameters:
	-----------------
	Wave function   =	EOM_CCSD
	Backtransform   =	No
	Print Level     =	1
	Print TEIs      =	No
	Reference wfn   =	RHF
	Derivative      =	None
	Delete TEI File =	Yes
	Memory (Mbytes) =	5.0
	Cache Level     =	0
	Cache Type      =	LRU
	Chkpt Parameters:
	--------------------
	Number of irreps     = 4
	Number of SOs        = 92
	Number of MOs        = 92
	Number of active MOs = 92

	Label	# SOs	# FZDC	# DOCC	# SOCC	# VIRT	# FZVR
	-----	-----	------	------	------	------	------
	 A1 	   35	    0	    3	    0	    32	    0
	 A2 	   12	    0	    0	    0	    12	    0
	 B1 	   18	    0	    1	    0	    17	    0
	 B2 	   27	    0	    1	    0	    26	    0

	Nuclear Rep. energy (chkpt) =      9.78067085332389
	SCF energy          (chkpt) =    -76.05675776144739

	Presorting SO-basis two-electron integrals.
	Sorting File: SO Ints (pq,rs) nbuckets = 8
	Frozen-core energy =    0.000000000000000
	Starting first half-transformation.
	Sorting half-transformed integrals.
	Starting second half-transformation.
	Two-electron integral transformation complete.
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:46 2008

user time   =       3.86 seconds =       0.06 minutes
system time =       0.99 seconds =       0.02 minutes
total time  =          5 seconds =       0.08 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:46 2008


			**************************
			*                        *
			*         CCSORT         *
			*                        *
			**************************


	Input parameters:
	-----------------
	Wave function   =	EOM_CCSD
	Reference wfn   =	RHF
	Derivative      =	None
	Memory (Mbytes) =	2.0
	AO Basis        =	NONE
	Make (ab|cd)    =	True
	Cache Level     =	0
	Cache Type      =	LRU
	Local CC        =     No


	Chkpt Parameters:
	--------------------
	Number of irreps     = 4
	Number of MOs        = 92
	Number of active MOs = 92

	Label	# MOs	# FZDC	# DOCC	# SOCC	# VIRT	# FZVR
	-----	-----	------	------	------	------	------
	 A1 	   35	    0	    3	    0	    32	    0
	 A2 	   12	    0	    0	    0	    12	    0
	 B1 	   18	    0	    1	    0	    17	    0
	 B2 	   27	    0	    1	    0	    26	    0

	Nuclear Rep. energy (chkpt) =      9.78067085332389
	SCF energy          (chkpt) =    -76.05675776144739

	Size of irrep 0 of <ab|cd> integrals:      4.550 (MW) /     36.398 (MB)
	Size of irrep 1 of <ab|cd> integrals:      2.729 (MW) /     21.833 (MB)
	Size of irrep 2 of <ab|cd> integrals:      2.931 (MW) /     23.448 (MB)
	Size of irrep 3 of <ab|cd> integrals:      4.293 (MW) /     34.345 (MB)
	Total:                                    14.503 (MW) /    116.023 (MB)

	Size of irrep 0 of <ia|bc> integrals:      0.296 (MW) /      2.372 (MB)
	Size of irrep 1 of <ia|bc> integrals:      0.131 (MW) /      1.044 (MB)
	Size of irrep 2 of <ia|bc> integrals:      0.163 (MW) /      1.301 (MB)
	Size of irrep 3 of <ia|bc> integrals:      0.253 (MW) /      2.022 (MB)
	Total:                                     0.842 (MW) /      6.739 (MB)

	Size of irrep 0 of tijab amplitudes:       0.023 (MW) /      0.188 (MB)
	Size of irrep 1 of tijab amplitudes:       0.003 (MW) /      0.026 (MB)
	Size of irrep 2 of tijab amplitudes:       0.010 (MW) /      0.082 (MB)
	Size of irrep 3 of tijab amplitudes:       0.012 (MW) /      0.099 (MB)
	Total:                                     0.049 (MW) /      0.396 (MB)


	Sorting File: A <ij|kl> nbuckets = 1
	Sorting File: B(+) <ab|cd> nbuckets = 30
	Sorting File: C <ia|jb> nbuckets = 1
	Sorting File: D <ij|ab> nbuckets = 1
	Sorting File: E <ai|jk> nbuckets = 1
	Sorting File: F <ia|bc> nbuckets = 4
	One-electron energy          =   -124.06554445062568
	Two-electron (AA) energy     =     14.60934680673217
	Two-electron (BB) energy     =     14.60934680673217
	Two-electron (AB) energy     =     23.61876902912228
	Two-electron energy          =     38.22811583585445
	Frozen-core energy (transqt) =      0.00000000000000
	Reference energy             =    -76.05675776144734
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:51 2008

user time   =       2.70 seconds =       0.05 minutes
system time =       1.13 seconds =       0.02 minutes
total time  =          5 seconds =       0.08 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:51 2008

			**************************
			*                        *
			*        CCENERGY        *
			*                        *
			**************************

	Nuclear Rep. energy (chkpt)   =    9.780670853323889
	SCF energy          (chkpt)   =  -76.056757761447386
	Reference energy    (file100) =  -76.056757761447344

	Input parameters:
	-----------------
	Wave function   =    EOM_CCSD
	Reference wfn   =      RHF
	Memory (Mbytes) =    2.0
	Maxiter         =     50
	Convergence     = 1.0e-07
	Restart         =     Yes
	DIIS            =     Yes
	AO Basis        =     NONE
	ABCD            =     NEW
	Cache Level     =    0
	Cache Type      =     LOW
	Print Level     =    0
	Num. of threads =     1
	# Amps to Print =    10
	Print MP2 Amps? =    No
	Analyze T2 Amps =    No
	Print Pair Ener =    No
	Local CC        =     No

	            Solving CC Amplitude Equations
	            ------------------------------
  Iter             Energy              RMS        T1Diag      D1Diag    New D1Diag
  ----     ---------------------    ---------   ----------  ----------  ----------
     0        -0.279674125010943    0.000e+00    0.000000    0.000000    0.000000
     1        -0.279409491269824    3.234e-02    0.006916    0.015380    0.015380
     2        -0.283853547410563    1.083e-02    0.006812    0.015245    0.015245
     3        -0.284963174542609    4.144e-03    0.007831    0.017966    0.017966
     4        -0.284845262937643    8.605e-04    0.007970    0.018381    0.018381
     5        -0.284853920760373    3.048e-04    0.008041    0.018628    0.018628
     6        -0.284858120531472    7.414e-05    0.008058    0.018695    0.018695
     7        -0.284856403480771    2.369e-05    0.008061    0.018711    0.018711
     8        -0.284856097543059    6.223e-06    0.008062    0.018716    0.018716
     9        -0.284856155781638    1.813e-06    0.008062    0.018718    0.018718
    10        -0.284856042623119    6.021e-07    0.008062    0.018718    0.018718
    11        -0.284856049999518    1.425e-07    0.008062    0.018718    0.018718
    12        -0.284856045967763    5.004e-08    0.008062    0.018718    0.018718

	Iterations converged.


	Largest TIA Amplitudes:
	          3  44        -0.0128430347
	          3  45         0.0116169927
	          2   1         0.0077428267
	          2   4        -0.0073407962
	          4  73         0.0047997711
	          3  54         0.0039845160
	          3  47         0.0034300387
	          4  69         0.0032757445
	          2  23         0.0032700032
	          2   6        -0.0031145089

	Largest TIjAb Amplitudes:
	  2   2   9   9        -0.0181180923
	  4   4  65  65        -0.0169436155
	  4   4  66  66        -0.0150974203
	  4   4  69  69        -0.0147742745
	  2   2  66  66        -0.0143355665
	  4   4  65  69        -0.0143265165
	  4   4  69  65        -0.0143265165
	  3   3  49  49        -0.0134216428
	  2   2   4   9         0.0117729164
	  2   2   9   4         0.0117729164

	SCF energy       (chkpt)   =  -76.056757761447386
	Reference energy (file100) =  -76.056757761447344
	MP2 correlation energy     =   -0.279674125010943
      * MP2 total energy           =  -76.336431886458286
	CCSD correlation energy    =   -0.284856045967763
      * CCSD total energy          =  -76.341613807415101

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:57 2008

user time   =       3.60 seconds =       0.06 minutes
system time =       1.95 seconds =       0.03 minutes
total time  =          6 seconds =       0.10 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:57 2008


			**************************
			*                        *
			*         CCHBAR         *
			*                        *
			**************************

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:59 2008

user time   =       1.56 seconds =       0.03 minutes
system time =       0.63 seconds =       0.01 minutes
total time  =          2 seconds =       0.03 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:35:59 2008


	**********************************************************
	*  CCEOM: An Equation of Motion Coupled Cluster Program  *
	**********************************************************

	Nuclear Rep. energy (chkpt)   =    9.780670853323889
	SCF energy          (chkpt)   =  -76.056757761447386
	Reference energy    (file100) =  -76.056757761447344
	CCSD energy         (file100) =   -0.284856045967763

	Input parameters:
	-----------------
	Reference wfn   =     RHF
	Reference EOM wfn=     RHF
	Memory (Mbytes) =    2.0
	AO Basis        =     No
	ABCD            =     NEW
	Cache Level     =    0
	Cache Type      =     LRU
	Num. of threads =     1
	Local CC        =     No


	CCEOM parameters:
	-----------------
	States sought per irrep     = A1  1, A2  0, B1  0, B2  1,
	Max. number of iterations   =   320
	Vectors stored per root     =    12
	Print HbarSS iterations?    =     0
	Excitation range for HBarSS =     2
	Eigenvalue tolerance        = 1.0e-08
	Eigenvalue toleranceSS      = 1.0e-06
	Residual vector tolerance   = 1.0e-06
	Residual vector toleranceSS = 1.0e-06
	Complex tolerance           = 1.0e-12
	Root for properties         =     1
	Sym of state for properties =    B2 
	Guess vectors taken from    = SINGLES
	Restart EOM CC3             = NO
	Collapse with last vector   = YES



Fae   dot Fae   total 1640.7071453122
Fmi   dot Fmi   total  426.6134462350
Fme   dot Fme   total    0.0000247732
WMBIJ dot WMBIJ total    0.0000000000
Wmbij dot Wmbij total    0.0000000000
WMbIj dot WMbIj total    3.2169781852
WmBiJ dot WmBiJ total    0.0000000000
Symmetry of ground state: A1 
Symmetry of excited state: A1 
Symmetry of right eigenvector: A1 
Seeking states with multiplicity of 1
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)=   1.3065038893
SigmaSS, D(norm sigma)=   0.0754068990
SigmaSS, D(norm sigma)=  -0.8363855875
SigmaSS, D(norm sigma)=   0.0864628138
SigmaSS, D(norm sigma)=  -0.0680794903
SigmaSS, D(norm sigma)=   0.1206484748
SigmaSS, D(norm sigma)=   0.0589239975
SigmaSS, D(norm sigma)=   0.0937188862
SigmaSS, D(norm sigma)=  -0.3051607273
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   0.1526623848
SigmaSS, D(norm sigma)=  -0.1781389584
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   0.5178611883
SigmaSS, D(norm sigma)=  -0.5178611883
SigmaSS, D(norm sigma)=   0.5178611883
SigmaSS, D(norm sigma)=   0.1851300621
SigmaSS, D(norm sigma)=  -0.7029912505
SigmaSS, D(norm sigma)=   0.5178611883
SigmaSS, D(norm sigma)=   0.1851300621
SigmaSS, D(norm sigma)=   0.8264717861
SigmaSS, D(norm sigma)=  -1.5294630366
SigmaSS, D(norm sigma)=   0.5178611883
SigmaSS, D(norm sigma)=   0.1851300621
SigmaSS, D(norm sigma)=   0.8264717861
SigmaSS, D(norm sigma)=  -0.2069252971
SigmaSS, D(norm sigma)=  -1.3225377396
SigmaSS, D(norm sigma)=   0.5178611883
SigmaSS, D(norm sigma)=   0.1851300621
SigmaSS, D(norm sigma)=   0.8264717861
SigmaSS, D(norm sigma)=  -0.2069252971
SigmaSS, D(norm sigma)=   0.2205273046
SigmaSS, D(norm sigma)=  -1.5469408649
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   1.4204740136
SigmaSS, D(norm sigma)=  -1.4204740136
SigmaSS, D(norm sigma)=   1.4204740136
SigmaSS, D(norm sigma)=   1.6511455819
SigmaSS, D(norm sigma)=  -3.0716195955
SigmaSS, D(norm sigma)=   1.4204740136
SigmaSS, D(norm sigma)=   1.6511455819
SigmaSS, D(norm sigma)=  -0.5706935582
SigmaSS, D(norm sigma)=  -2.5009260373
SigmaSS, D(norm sigma)=   1.4204740136
SigmaSS, D(norm sigma)=   1.6511455819
SigmaSS, D(norm sigma)=  -0.5706935582
SigmaSS, D(norm sigma)=  -0.7885004034
SigmaSS, D(norm sigma)=  -1.7124256339
SigmaSS, D(norm sigma)=   1.4204740136
SigmaSS, D(norm sigma)=   1.6511455819
SigmaSS, D(norm sigma)=  -0.5706935582
SigmaSS, D(norm sigma)=  -0.7885004034
SigmaSS, D(norm sigma)=   0.5140250349
SigmaSS, D(norm sigma)=  -2.2264521514
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   0.7649786378
SigmaSS, D(norm sigma)=  -0.7649786378
SigmaSS, D(norm sigma)=   0.7649786378
SigmaSS, D(norm sigma)=   1.3773714547
SigmaSS, D(norm sigma)=  -2.1423500925
SigmaSS, D(norm sigma)=   0.7649786378
SigmaSS, D(norm sigma)=   1.3773714547
SigmaSS, D(norm sigma)=   0.5403227992
Done.


	DPD File2: CME 0
	DPD Parameters:
	------------------
	pnum = 0   qnum = 1   irrep = 0 
	Irreps = 4

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     3	col =    32
	   Irrep: 1 row =     0	col =    12
	   Irrep: 2 row =     1	col =    17
	   Irrep: 3 row =     1	col =    26

	File 141 DPD File2: CME 0
	Matrix for Irrep 0
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      (  0)              (  1)              (  2)              (  3)              (  4)              (  5)              (  6)              (  7)              (  8)    

    0  (  0)  0.000028634447712  0.000039280651902 -0.000013907659889  0.000001409704456 -0.000027906036321 -0.000034471393043  0.000004050440281  0.000005365582783 -0.000006763394146
    1  (  1)  0.001040912075052 -0.007990739174685 -0.004651850708234 -0.001687155257277  0.009551273264841  0.000108690099574  0.001137677826261  0.000443387671300 -0.001986491282974
    2  (  2)  0.581849413324279  0.211162227587001 -0.267612429390369 -0.007470514894818  0.007696451553456 -0.110488494822336  0.005208206427019 -0.004152153552345 -0.007345486960183

                         9                 10                 11                 12                 13                 14                 15                 16                 17     
                      (  9)              ( 10)              ( 11)              ( 12)              ( 13)              ( 14)              ( 15)              ( 16)              ( 17)    

    0  (  0) -0.000009041644254  0.000007222691802 -0.000015005029381  0.000013840744840  0.000013694119845 -0.000058381302022 -0.000022245785369 -0.000007218300470 -0.000012906747642
    1  (  1) -0.002176793149184 -0.000394625276152 -0.002061436715406  0.000347954438022 -0.000666365651546  0.001147160758378  0.001807529786031  0.000368630816755  0.000719510300291
    2  (  2)  0.002454756401394  0.006900752493805 -0.029321363926522  0.001778791346523 -0.002801550354079 -0.000303828642070  0.006634154701883 -0.001214329000010  0.002749970571500

                        18                 19                 20                 21                 22                 23                 24                 25                 26     
                      ( 18)              ( 19)              ( 20)              ( 21)              ( 22)              ( 23)              ( 24)              ( 25)              ( 26)    

    0  (  0) -0.000036406539128  0.000028063426572 -0.000048423411287  0.000008913149529 -0.000053002634981  0.000170680595963  0.000058567548697 -0.000035002391335  0.000144083006866
    1  (  1) -0.000513488367868 -0.000845392902441  0.000167842073593 -0.000078429910853  0.000224664299755 -0.000675826594414 -0.000434244344796 -0.000123216133536 -0.000329832776361
    2  (  2) -0.004234666379691 -0.003696468375903 -0.000144489384811 -0.000159237065372  0.000527511079838 -0.001616964484340 -0.001768971217870 -0.000458324521557 -0.000411098522103

                        27                 28                 29                 30                 31     
                      ( 27)              ( 28)              ( 29)              ( 30)              ( 31)    

    0  (  0)  0.000067479816088  0.000018257528347  0.000010102678287 -0.000034624878793 -0.000007690638897
    1  (  1) -0.000039847054055 -0.000070052752518  0.000012359544401  0.000038176504803  0.000027632454666
    2  (  2) -0.000869110760378 -0.000875540512606  0.000699332209857  0.000347533195749  0.000198625699702

	File 141 DPD File2: CME 0
	Matrix for Irrep 1
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 32)              ( 33)              ( 34)              ( 35)              ( 36)              ( 37)              ( 38)              ( 39)              ( 40)    


                         9                 10                 11     
                      ( 41)              ( 42)              ( 43)    


	File 141 DPD File2: CME 0
	Matrix for Irrep 2
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 44)              ( 45)              ( 46)              ( 47)              ( 48)              ( 49)              ( 50)              ( 51)              ( 52)    

    0  (  3)  0.165581650082536 -0.059399793441586  0.001477814887102 -0.015955713191645  0.012951214797460 -0.012027099633649  0.003837377481229 -0.001076837903063  0.000548915910912

                         9                 10                 11                 12                 13                 14                 15                 16     
                      ( 53)              ( 54)              ( 55)              ( 56)              ( 57)              ( 58)              ( 59)              ( 60)    

    0  (  3)  0.001749974114187  0.000491615821823 -0.000096109462715  0.000338556258872 -0.000331518171045  0.000742947481536 -0.000856553725408 -0.001157137786189

	File 141 DPD File2: CME 0
	Matrix for Irrep 3
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 61)              ( 62)              ( 63)              ( 64)              ( 65)              ( 66)              ( 67)              ( 68)              ( 69)    

    0  (  4)  0.003568173891505 -0.002024374933746 -0.001307813058307  0.000573603362628  0.002709644690699 -0.005073271818403 -0.000072218392277 -0.000273198031938  0.003105514060021

                         9                 10                 11                 12                 13                 14                 15                 16                 17     
                      ( 70)              ( 71)              ( 72)              ( 73)              ( 74)              ( 75)              ( 76)              ( 77)              ( 78)    

    0  (  4)  0.000576713399557 -0.001253707800505 -0.000235103415114  0.000566611638232  0.000505240024470  0.000397070451967 -0.000078739338316 -0.000807759488240  0.000275094648585

                        18                 19                 20                 21                 22                 23                 24                 25     
                      ( 79)              ( 80)              ( 81)              ( 82)              ( 83)              ( 84)              ( 85)              ( 86)    

    0  (  4) -0.000082075358678  0.000023267472767 -0.000724571393642 -0.000451486468672 -0.000369317923238  0.000199817800960  0.000097678135311  0.000651293047672
resetting norm
Iter=1    L=1   resetting norm
SigmaSS, D(norm sigma)=   0.5026852776
FSD    , D(norm sigma)=   0.0000000000
WamefSD, D(norm sigma)=   0.0000000000
WmnieSD, D(norm sigma)=   0.0000000000
WmaijDS, D(norm sigma)=   0.1927572313
WabejDS, D(norm sigma)=   0.0345488982
WnmjeDS, D(norm sigma)=   0.0000652650
WbmfeDS, D(norm sigma)=  -0.0006870199
FDD_Fbe, D(norm sigma)=   0.0000000000
FDD_Fmj, D(norm sigma)=   0.0000000000
WmnijDD, D(norm sigma)=   0.0000000000
WabefDD, D(norm sigma)=   0.0000000000
WmbejDD, D(norm sigma)=   0.0000000000
WmnefDD XAF, D(norm sigma)=   0.0000000000
WmnefDD XLI, D(norm sigma)=   0.0000000000
resetting norm
The G Matrix

                0        

    0   0.502685277574603
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.5284766799271
Norm of residual vector 0  after precondition    0.5284766799271
                     1   0.5026852776   5.03e-01    5.28e-01      N
Norm of residual vector af preconditioning    0.2332578079544
Norm of final new C in schmidt_add():    0.999999999999999
Iter=2    L=2   resetting norm
SigmaSS, D(norm sigma)=   0.0000028659
FSD    , D(norm sigma)=   0.0018237995
WamefSD, D(norm sigma)=   0.0793892537
WmnieSD, D(norm sigma)=   0.4227183386
WmaijDS, D(norm sigma)=   0.0000000000
WabejDS, D(norm sigma)=   0.0000000000
WnmjeDS, D(norm sigma)=   0.0000000000
WbmfeDS, D(norm sigma)=  -0.0000000000
FDD_Fbe, D(norm sigma)=   0.9678147196
FDD_Fmj, D(norm sigma)=   1.2850161256
WmnijDD, D(norm sigma)=   0.6119052415
WabefDD, D(norm sigma)=   0.3032787641
WmbejDD, D(norm sigma)=  -1.1553426776
WmnefDD XAF, D(norm sigma)=   0.0195655916
WmnefDD XLI, D(norm sigma)=   0.0001217966
resetting norm
The G Matrix

                0                  1        

    0   0.502685277574603 -0.491745617872363
    1  -0.431469251551608  2.175414758331560
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0934123891742
Norm of residual vector 0  after precondition    0.0934123891742
                     1   0.3842311385  -1.18e-01    9.34e-02      N
Norm of residual vector af preconditioning    0.0410616207301
Norm of final new C in schmidt_add():    0.999999999999999
Iter=3    L=3   resetting norm
SigmaSS, D(norm sigma)=   0.7115721914
FSD    , D(norm sigma)=   0.0001232899
WamefSD, D(norm sigma)=  -0.0011786790
WmnieSD, D(norm sigma)=   0.0253817952
WmaijDS, D(norm sigma)=   0.0782652092
WabejDS, D(norm sigma)=   0.0134622014
WnmjeDS, D(norm sigma)=  -0.0001509759
WbmfeDS, D(norm sigma)=  -0.0005806299
FDD_Fbe, D(norm sigma)=   0.9525680187
FDD_Fmj, D(norm sigma)=   0.9684415049
WmnijDD, D(norm sigma)=   0.4873953517
WabefDD, D(norm sigma)=   0.2502965738
WmbejDD, D(norm sigma)=  -1.0523477151
WmnefDD XAF, D(norm sigma)=   0.0021884066
WmnefDD XLI, D(norm sigma)=   0.0001178791
resetting norm
The G Matrix

                0                  1                  2        

    0   0.502685277574603 -0.491745617872363  0.093599004817879
    1  -0.431469251551608  2.175414758331560 -0.054542010670596
    2   0.083946678881780 -0.039853072325247  1.987779432960995
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0282708627606
Norm of residual vector 0  after precondition    0.0282708627606
                     1   0.3808141068  -3.42e-03    2.83e-02      N
Norm of residual vector af preconditioning    0.0140176611210
Norm of final new C in schmidt_add():    1.000000000000006
Iter=4    L=4   resetting norm
SigmaSS, D(norm sigma)=   0.5737214086
FSD    , D(norm sigma)=  -0.0001228998
WamefSD, D(norm sigma)=  -0.0238812715
WmnieSD, D(norm sigma)=  -0.0424048967
WmaijDS, D(norm sigma)=   0.0949716866
WabejDS, D(norm sigma)=   0.0261402271
WnmjeDS, D(norm sigma)=   0.0001789784
WbmfeDS, D(norm sigma)=  -0.0003075683
FDD_Fbe, D(norm sigma)=   0.6813277327
FDD_Fmj, D(norm sigma)=   0.9860963262
WmnijDD, D(norm sigma)=   0.4886263991
WabefDD, D(norm sigma)=   0.2791597848
WmbejDD, D(norm sigma)=  -0.9065008930
WmnefDD XAF, D(norm sigma)=   0.0044043294
WmnefDD XLI, D(norm sigma)=   0.0007640009
resetting norm
The G Matrix

                0                  1                  2                  3        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0129849905209
Norm of residual vector 0  after precondition    0.0129849905209
                     1   0.3805428651  -2.71e-04    1.30e-02      N
Norm of residual vector af preconditioning    0.0080499358110
Norm of final new C in schmidt_add():    1.000000000000001
Iter=5    L=5   resetting norm
SigmaSS, D(norm sigma)=   0.5670520189
FSD    , D(norm sigma)=   0.0002583482
WamefSD, D(norm sigma)=  -0.0161680517
WmnieSD, D(norm sigma)=   0.0390035696
WmaijDS, D(norm sigma)=   0.1214017142
WabejDS, D(norm sigma)=   0.0187735035
WnmjeDS, D(norm sigma)=  -0.0005607607
WbmfeDS, D(norm sigma)=  -0.0044837141
FDD_Fbe, D(norm sigma)=   0.9791361605
FDD_Fmj, D(norm sigma)=   0.8445331395
WmnijDD, D(norm sigma)=   0.3825063973
WabefDD, D(norm sigma)=   0.1930431098
WmbejDD, D(norm sigma)=  -0.7937669801
WmnefDD XAF, D(norm sigma)=   0.0016645790
WmnefDD XLI, D(norm sigma)=   0.0001599108
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115  0.034571942589499
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818 -0.034235291058072
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841  0.461610544435270
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074  0.557460392063620
    4   0.034041334410657 -0.031327953447425  0.464416785053786  0.566667848958278  1.566310960897660
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0075292117356
Norm of residual vector 0  after precondition    0.0075292117356
                     1   0.3804674346  -7.54e-05    7.53e-03      N
Norm of residual vector af preconditioning    0.0044821372750
Norm of final new C in schmidt_add():    1.000000000000001
Iter=6    L=6   resetting norm
SigmaSS, D(norm sigma)=   0.5845660111
FSD    , D(norm sigma)=   0.0000198520
WamefSD, D(norm sigma)=  -0.0187298521
WmnieSD, D(norm sigma)=  -0.0321604466
WmaijDS, D(norm sigma)=   0.0681420437
WabejDS, D(norm sigma)=   0.0103321730
WnmjeDS, D(norm sigma)=   0.0002911520
WbmfeDS, D(norm sigma)=  -0.0008058030
FDD_Fbe, D(norm sigma)=   0.9477667964
FDD_Fmj, D(norm sigma)=   1.0699496007
WmnijDD, D(norm sigma)=   0.5105643606
WabefDD, D(norm sigma)=   0.2916015810
WmbejDD, D(norm sigma)=  -0.9650529384
WmnefDD XAF, D(norm sigma)=   0.0048920697
WmnefDD XLI, D(norm sigma)=   0.0007734965
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115  0.034571942589499
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818 -0.034235291058072
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841  0.461610544435270
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074  0.557460392063620
    4   0.034041334410657 -0.031327953447425  0.464416785053786  0.566667848958278  1.566310960897660
    5  -0.066968254046737  0.253150942712803 -0.265936374463644  0.225753958835590 -0.695711719153328

                5        

    0  -0.082345174906001
    1   0.249735000340563
    2  -0.265988818056081
    3   0.230070795917559
    4  -0.706396974280902
    5   1.841012386703962
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0066781459575
Norm of residual vector 0  after precondition    0.0066781459575
                     1   0.3803791074  -8.83e-05    6.68e-03      N
Norm of residual vector af preconditioning    0.0039791017163
Norm of final new C in schmidt_add():    0.999999999999999
Iter=7    L=7   resetting norm
SigmaSS, D(norm sigma)=   0.6224609720
FSD    , D(norm sigma)=   0.0002016484
WamefSD, D(norm sigma)=  -0.0170565040
WmnieSD, D(norm sigma)=   0.0158326363
WmaijDS, D(norm sigma)=   0.0847917548
WabejDS, D(norm sigma)=   0.0099320465
WnmjeDS, D(norm sigma)=   0.0004549533
WbmfeDS, D(norm sigma)=  -0.0013919621
FDD_Fbe, D(norm sigma)=   1.5689279046
FDD_Fmj, D(norm sigma)=   1.0340707379
WmnijDD, D(norm sigma)=   0.4597228094
WabefDD, D(norm sigma)=   0.2554561222
WmbejDD, D(norm sigma)=  -1.0350830901
WmnefDD XAF, D(norm sigma)=   0.0017663480
WmnefDD XLI, D(norm sigma)=   0.0001377197
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115  0.034571942589499
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818 -0.034235291058072
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841  0.461610544435270
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074  0.557460392063620
    4   0.034041334410657 -0.031327953447425  0.464416785053786  0.566667848958278  1.566310960897660
    5  -0.066968254046737  0.253150942712803 -0.265936374463644  0.225753958835590 -0.695711719153328
    6   0.011195871378543  0.020189920111329  0.272330920729670  0.367145096260396  0.628733549550793

                5                  6        

    0  -0.082345174906001  0.005733194927545
    1   0.249735000340563  0.018615080009003
    2  -0.265988818056081  0.272091141188567
    3   0.230070795917559  0.367413641267480
    4  -0.706396974280902  0.624691578400611
    5   1.841012386703962  0.315582119941487
    6   0.328221825700444  2.159903590066706
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0035844870587
Norm of residual vector 0  after precondition    0.0035844870587
                     1   0.3803520556  -2.71e-05    3.58e-03      N
Norm of residual vector af preconditioning    0.0020836330080
Norm of final new C in schmidt_add():    0.999999999999998
Iter=8    L=8   resetting norm
SigmaSS, D(norm sigma)=   0.6226700134
FSD    , D(norm sigma)=  -0.0000973672
WamefSD, D(norm sigma)=  -0.0111949234
WmnieSD, D(norm sigma)=  -0.0390040247
WmaijDS, D(norm sigma)=   0.0930082069
WabejDS, D(norm sigma)=   0.0191963932
WnmjeDS, D(norm sigma)=   0.0006218622
WbmfeDS, D(norm sigma)=  -0.0026824879
FDD_Fbe, D(norm sigma)=   0.8953588037
FDD_Fmj, D(norm sigma)=   0.9499840807
WmnijDD, D(norm sigma)=   0.4452053622
WabefDD, D(norm sigma)=   0.2308291057
WmbejDD, D(norm sigma)=  -0.7922593191
WmnefDD XAF, D(norm sigma)=   0.0024974475
WmnefDD XLI, D(norm sigma)=   0.0001586468
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115  0.034571942589499
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818 -0.034235291058072
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841  0.461610544435270
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074  0.557460392063620
    4   0.034041334410657 -0.031327953447425  0.464416785053786  0.566667848958278  1.566310960897660
    5  -0.066968254046737  0.253150942712803 -0.265936374463644  0.225753958835590 -0.695711719153328
    6   0.011195871378543  0.020189920111329  0.272330920729670  0.367145096260396  0.628733549550793
    7   0.056642500245627 -0.196003876444003  0.285699999345077 -0.164573090260657  0.262577806238569

                5                  6                  7        

    0  -0.082345174906001  0.005733194927545  0.067299411154064
    1   0.249735000340563  0.018615080009003 -0.189891323181446
    2  -0.265988818056081  0.272091141188567  0.292095684329342
    3   0.230070795917559  0.367413641267480 -0.167579838367103
    4  -0.706396974280902  0.624691578400611  0.251933596698922
    5   1.841012386703962  0.315582119941487 -0.295929538638195
    6   0.328221825700444  2.159903590066706  0.750074896002634
    7  -0.290051227496594  0.745303299465495  1.658116691761480
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0024967841245
Norm of residual vector 0  after precondition    0.0024967841245
                     1   0.3803547370   2.68e-06    2.50e-03      N
Norm of residual vector af preconditioning    0.0016555215809
Norm of final new C in schmidt_add():    0.999999999999999
Iter=9    L=9   resetting norm
SigmaSS, D(norm sigma)=   0.5794450912
FSD    , D(norm sigma)=  -0.0000928304
WamefSD, D(norm sigma)=  -0.0080282750
WmnieSD, D(norm sigma)=  -0.0143285943
WmaijDS, D(norm sigma)=   0.0661502643
WabejDS, D(norm sigma)=   0.0134999129
WnmjeDS, D(norm sigma)=  -0.0000403392
WbmfeDS, D(norm sigma)=  -0.0000899606
FDD_Fbe, D(norm sigma)=   1.4632672237
FDD_Fmj, D(norm sigma)=   1.0787497464
WmnijDD, D(norm sigma)=   0.5132448206
WabefDD, D(norm sigma)=   0.2563753653
WmbejDD, D(norm sigma)=  -1.0417342904
WmnefDD XAF, D(norm sigma)=   0.0019211729
WmnefDD XLI, D(norm sigma)=   0.0003209234
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115  0.034571942589499
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818 -0.034235291058072
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841  0.461610544435270
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074  0.557460392063620
    4   0.034041334410657 -0.031327953447425  0.464416785053786  0.566667848958278  1.566310960897660
    5  -0.066968254046737  0.253150942712803 -0.265936374463644  0.225753958835590 -0.695711719153328
    6   0.011195871378543  0.020189920111329  0.272330920729670  0.367145096260396  0.628733549550793
    7   0.056642500245627 -0.196003876444003  0.285699999345077 -0.164573090260657  0.262577806238569
    8  -0.004675888682553 -0.036414529777720 -0.276221438869179 -0.044504680929998 -0.214362621753725

                5                  6                  7                  8        

    0  -0.082345174906001  0.005733194927545  0.067299411154064  0.003872790780163
    1   0.249735000340563  0.018615080009003 -0.189891323181446 -0.039042684200559
    2  -0.265988818056081  0.272091141188567  0.292095684329342 -0.281557177923975
    3   0.230070795917559  0.367413641267480 -0.167579838367103 -0.036434180921530
    4  -0.706396974280902  0.624691578400611  0.251933596698922 -0.218117873439097
    5   1.841012386703962  0.315582119941487 -0.295929538638195 -0.206866258722190
    6   0.328221825700444  2.159903590066706  0.750074896002634 -0.636558850252683
    7  -0.290051227496594  0.745303299465495  1.658116691761480  0.550483403301880
    8  -0.204309423047180 -0.638628769744973  0.551391979690179  2.204711904261527
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0019293494218
Norm of residual vector 0  after precondition    0.0019293494218
                     1   0.3803472770  -7.46e-06    1.93e-03      N
Norm of residual vector af preconditioning    0.0009680911970
Norm of final new C in schmidt_add():    0.999999999999994
Iter=10   L=10  resetting norm
SigmaSS, D(norm sigma)=   0.6336264466
FSD    , D(norm sigma)=   0.0000635430
WamefSD, D(norm sigma)=  -0.0250430138
WmnieSD, D(norm sigma)=  -0.0199199638
WmaijDS, D(norm sigma)=   0.0564025555
WabejDS, D(norm sigma)=   0.0171055105
WnmjeDS, D(norm sigma)=   0.0001353697
WbmfeDS, D(norm sigma)=  -0.0007365940
FDD_Fbe, D(norm sigma)=   1.1904247195
FDD_Fmj, D(norm sigma)=   1.1453844497
WmnijDD, D(norm sigma)=   0.5109480049
WabefDD, D(norm sigma)=   0.2382725491
WmbejDD, D(norm sigma)=  -0.9583883979
WmnefDD XAF, D(norm sigma)=   0.0011211442
WmnefDD XLI, D(norm sigma)=   0.0001397654
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115  0.034571942589499
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818 -0.034235291058072
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841  0.461610544435270
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074  0.557460392063620
    4   0.034041334410657 -0.031327953447425  0.464416785053786  0.566667848958278  1.566310960897660
    5  -0.066968254046737  0.253150942712803 -0.265936374463644  0.225753958835590 -0.695711719153328
    6   0.011195871378543  0.020189920111329  0.272330920729670  0.367145096260396  0.628733549550793
    7   0.056642500245627 -0.196003876444003  0.285699999345077 -0.164573090260657  0.262577806238569
    8  -0.004675888682553 -0.036414529777720 -0.276221438869179 -0.044504680929998 -0.214362621753725
    9   0.037008670181310 -0.140413376409627  0.047647121707701  0.086338465329893  0.225373972853198

                5                  6                  7                  8                  9        

    0  -0.082345174906001  0.005733194927545  0.067299411154064  0.003872790780163  0.045806425299389
    1   0.249735000340563  0.018615080009003 -0.189891323181446 -0.039042684200559 -0.139990102570713
    2  -0.265988818056081  0.272091141188567  0.292095684329342 -0.281557177923975  0.041855905163559
    3   0.230070795917559  0.367413641267480 -0.167579838367103 -0.036434180921530  0.083945340433972
    4  -0.706396974280902  0.624691578400611  0.251933596698922 -0.218117873439097  0.225348251431321
    5   1.841012386703962  0.315582119941487 -0.295929538638195 -0.206866258722190 -0.230343489718765
    6   0.328221825700444  2.159903590066706  0.750074896002634 -0.636558850252683  0.275286717417389
    7  -0.290051227496594  0.745303299465495  1.658116691761480  0.550483403301880  0.461302269469776
    8  -0.204309423047180 -0.638628769744973  0.551391979690179  2.204711904261527 -0.310903192402693
    9  -0.228179967265987  0.273796201748360  0.460030923433164 -0.310044939145428  2.081191338433171
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0008736266859
Norm of residual vector 0  after precondition    0.0008736266859
                     1   0.3803408455  -6.43e-06    8.74e-04      N
Norm of residual vector af preconditioning    0.0004457865864
Norm of final new C in schmidt_add():    1.000000000000026
Iter=11   L=11  resetting norm
SigmaSS, D(norm sigma)=   0.5502456100
FSD    , D(norm sigma)=  -0.0001544009
WamefSD, D(norm sigma)=  -0.0060741381
WmnieSD, D(norm sigma)=  -0.0594571063
WmaijDS, D(norm sigma)=   0.0653738929
WabejDS, D(norm sigma)=   0.0116615990
WnmjeDS, D(norm sigma)=   0.0002237600
WbmfeDS, D(norm sigma)=  -0.0007358835
FDD_Fbe, D(norm sigma)=   1.3106269673
FDD_Fmj, D(norm sigma)=   1.0314665656
WmnijDD, D(norm sigma)=   0.5237088206
WabefDD, D(norm sigma)=   0.2232330508
WmbejDD, D(norm sigma)=  -0.9512032401
WmnefDD XAF, D(norm sigma)=   0.0016135570
WmnefDD XLI, D(norm sigma)=   0.0002331401
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115  0.034571942589499
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818 -0.034235291058072
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841  0.461610544435270
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074  0.557460392063620
    4   0.034041334410657 -0.031327953447425  0.464416785053786  0.566667848958278  1.566310960897660
    5  -0.066968254046737  0.253150942712803 -0.265936374463644  0.225753958835590 -0.695711719153328
    6   0.011195871378543  0.020189920111329  0.272330920729670  0.367145096260396  0.628733549550793
    7   0.056642500245627 -0.196003876444003  0.285699999345077 -0.164573090260657  0.262577806238569
    8  -0.004675888682553 -0.036414529777720 -0.276221438869179 -0.044504680929998 -0.214362621753725
    9   0.037008670181310 -0.140413376409627  0.047647121707701  0.086338465329893  0.225373972853198
   10   0.009377983656503 -0.008006414242353  0.134840718964122  0.059706518552635  0.149990539681130

                5                  6                  7                  8                  9        

    0  -0.082345174906001  0.005733194927545  0.067299411154064  0.003872790780163  0.045806425299389
    1   0.249735000340563  0.018615080009003 -0.189891323181446 -0.039042684200559 -0.139990102570713
    2  -0.265988818056081  0.272091141188567  0.292095684329342 -0.281557177923975  0.041855905163559
    3   0.230070795917559  0.367413641267480 -0.167579838367103 -0.036434180921530  0.083945340433972
    4  -0.706396974280902  0.624691578400611  0.251933596698922 -0.218117873439097  0.225348251431321
    5   1.841012386703962  0.315582119941487 -0.295929538638195 -0.206866258722190 -0.230343489718765
    6   0.328221825700444  2.159903590066706  0.750074896002634 -0.636558850252683  0.275286717417389
    7  -0.290051227496594  0.745303299465495  1.658116691761480  0.550483403301880  0.461302269469776
    8  -0.204309423047180 -0.638628769744973  0.551391979690179  2.204711904261527 -0.310903192402693
    9  -0.228179967265987  0.273796201748360  0.460030923433164 -0.310044939145428  2.081191338433171
   10   0.033654199973515  0.336770086514612 -0.076459757512289 -0.629985216848411 -0.310437422231947

               10        

    0   0.005264307784266
    1  -0.009268273666520
    2   0.135921749486017
    3   0.059080241709429
    4   0.153937739940113
    5   0.035037440105515
    6   0.334979733019023
    7  -0.074304677547730
    8  -0.631243362281141
    9  -0.314312183523906
   10   2.034539822754323
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0003831866912
Norm of residual vector 0  after precondition    0.0003831866912
                     1   0.3803408509   5.41e-09    3.83e-04      N
Norm of residual vector af preconditioning    0.0002127959299
Norm of final new C in schmidt_add():    1.000000000000007
Iter=12   L=12  resetting norm
SigmaSS, D(norm sigma)=   0.5692405545
FSD    , D(norm sigma)=  -0.0001218871
WamefSD, D(norm sigma)=  -0.0002712068
WmnieSD, D(norm sigma)=  -0.0329014815
WmaijDS, D(norm sigma)=   0.0668787521
WabejDS, D(norm sigma)=   0.0069515374
WnmjeDS, D(norm sigma)=  -0.0000308309
WbmfeDS, D(norm sigma)=  -0.0011456044
FDD_Fbe, D(norm sigma)=   1.2277023922
FDD_Fmj, D(norm sigma)=   1.1418284421
WmnijDD, D(norm sigma)=   0.4974850218
WabefDD, D(norm sigma)=   0.2153600275
WmbejDD, D(norm sigma)=  -0.8821937897
WmnefDD XAF, D(norm sigma)=   0.0016301102
WmnefDD XLI, D(norm sigma)=   0.0000748032
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.502685277574603 -0.491745617872363  0.093599004817879 -0.058719970695115  0.034571942589499
    1  -0.431469251551608  2.175414758331560 -0.054542010670596  0.195630904976818 -0.034235291058072
    2   0.083946678881780 -0.039853072325247  1.987779432960995 -0.412468336416841  0.461610544435270
    3  -0.043724221822683  0.197033022740500 -0.405335014184811  1.639784922153074  0.557460392063620
    4   0.034041334410657 -0.031327953447425  0.464416785053786  0.566667848958278  1.566310960897660
    5  -0.066968254046737  0.253150942712803 -0.265936374463644  0.225753958835590 -0.695711719153328
    6   0.011195871378543  0.020189920111329  0.272330920729670  0.367145096260396  0.628733549550793
    7   0.056642500245627 -0.196003876444003  0.285699999345077 -0.164573090260657  0.262577806238569
    8  -0.004675888682553 -0.036414529777720 -0.276221438869179 -0.044504680929998 -0.214362621753725
    9   0.037008670181310 -0.140413376409627  0.047647121707701  0.086338465329893  0.225373972853198
   10   0.009377983656503 -0.008006414242353  0.134840718964122  0.059706518552635  0.149990539681130
   11   0.022003083686196 -0.085134523948945  0.030887635241312  0.019281228537038  0.097326276152491

                5                  6                  7                  8                  9        

    0  -0.082345174906001  0.005733194927545  0.067299411154064  0.003872790780163  0.045806425299389
    1   0.249735000340563  0.018615080009003 -0.189891323181446 -0.039042684200559 -0.139990102570713
    2  -0.265988818056081  0.272091141188567  0.292095684329342 -0.281557177923975  0.041855905163559
    3   0.230070795917559  0.367413641267480 -0.167579838367103 -0.036434180921530  0.083945340433972
    4  -0.706396974280902  0.624691578400611  0.251933596698922 -0.218117873439097  0.225348251431321
    5   1.841012386703962  0.315582119941487 -0.295929538638195 -0.206866258722190 -0.230343489718765
    6   0.328221825700444  2.159903590066706  0.750074896002634 -0.636558850252683  0.275286717417389
    7  -0.290051227496594  0.745303299465495  1.658116691761480  0.550483403301880  0.461302269469776
    8  -0.204309423047180 -0.638628769744973  0.551391979690179  2.204711904261527 -0.310903192402693
    9  -0.228179967265987  0.273796201748360  0.460030923433164 -0.310044939145428  2.081191338433171
   10   0.033654199973515  0.336770086514612 -0.076459757512289 -0.629985216848411 -0.310437422231947
   11  -0.095822562043202  0.146329500221676  0.228363866148430 -0.108957330931130  0.680914687839811

               10                 11        

    0   0.005264307784266  0.028183256524007
    1  -0.009268273666520 -0.085557270684549
    2   0.135921749486017  0.025189948488309
    3   0.059080241709429  0.016297384648656
    4   0.153937739940113  0.099372349923115
    5   0.035037440105515 -0.093070808201597
    6   0.334979733019023  0.144226789848605
    7  -0.074304677547730  0.230978795917178
    8  -0.631243362281141 -0.112036294885180
    9  -0.314312183523906  0.682003108411616
   10   2.034539822754323  0.500551046661533
   11   0.501907804489925  2.019194105710973
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001788281886
Norm of residual vector 0  after precondition    0.0001788281886
                     1   0.3803413816   5.31e-07    1.79e-04      N
Norm of residual vector af preconditioning    0.0001069861048
Norm of final new C in schmidt_add():    1.000000000000007
alpha

           1           2           3           4           5           6           7           8           9          10

    1  -0.9683648  -0.0633817  -0.0292398   0.0155393   0.0788824   0.0396956   0.1195802   0.1558706  -0.0406428  -0.1210110
    2  -0.2338102  -0.0103939  -0.0134937   0.0023549  -0.1490230  -0.1304744  -0.5010044  -0.5962081   0.2114705   0.3883955
    3   0.0623406  -0.1847032  -0.1028474   0.1701654   0.5783589   0.0883636  -0.4361650  -0.0804315   0.3620528  -0.4075680
    4   0.0385861  -0.2175698  -0.4474245   0.2404316   0.3933421  -0.0061408   0.5080907  -0.1298512   0.0925974   0.4387199
    5  -0.0385555   0.5779547   0.4079437  -0.1114925   0.1225783   0.0416133   0.3427187  -0.2966636   0.3411250   0.0462898
    6  -0.0208647   0.4156434   0.1929455   0.1463515   0.4275908  -0.0149919  -0.2574720   0.4683782  -0.1307938   0.2566149
    7   0.0139138  -0.4412142   0.2493050  -0.2990003  -0.1710600  -0.0709037  -0.0613030   0.4012406   0.2742371   0.2922702
    8  -0.0093434   0.3874999  -0.5154446   0.1693437  -0.2480246  -0.3073007  -0.2058051   0.2549736   0.1347569   0.2107277
    9   0.0045753  -0.2260928   0.4043761   0.1513541   0.2285348  -0.5027496   0.0235410   0.0180381   0.1152951   0.2683848
   10   0.0017297  -0.0976036   0.2520277   0.4863495  -0.0742729   0.4303107  -0.1658191  -0.1229864  -0.4379720   0.2720364
   11   0.0006883  -0.0416853   0.1487256   0.5102939  -0.1816639  -0.5539995   0.1370828  -0.0558547  -0.1344309  -0.3632972
   12  -0.0002695   0.0205803  -0.0869326  -0.4911393   0.3208883  -0.3567877  -0.0979567  -0.2120046  -0.6032820   0.0087992

          11          12

    1   0.0958480  -0.0371955
    2  -0.3211304   0.0863000
    3   0.1276583  -0.2715056
    4  -0.1895089  -0.1107262
    5   0.1046804  -0.3717073
    6  -0.4285165   0.1248871
    7  -0.1602086  -0.5234088
    8   0.3934990  -0.2646812
    9   0.4960496   0.3526215
   10   0.2751655  -0.3404694
   11  -0.3631449  -0.2676916
   12   0.0820362  -0.3090261
alpha_old

           1           2           3           4           5           6           7           8           9          10

    1   0.9683670   0.0646379   0.0277538   0.0494000  -0.0885924   0.1104813  -0.0303878   0.1547050  -0.1212710  -0.0985014
    2   0.2338088   0.0108327   0.0133239  -0.0545991   0.2383773  -0.4631036   0.0941249  -0.6289764   0.3901602   0.3243396
    3  -0.0623350   0.1860414   0.1037589   0.4532404  -0.4215792  -0.3909183  -0.1731907  -0.3292588  -0.4028041  -0.1660469
    4  -0.0386147   0.2236779   0.4555959   0.3912728  -0.2370597   0.4349828   0.2741170  -0.0694827   0.4397231   0.1774577
    5   0.0385478  -0.5837102  -0.4083902  -0.0216473  -0.2018455   0.2613573   0.3005102  -0.3206138   0.0507223  -0.1483492
    6   0.0208611  -0.4195144  -0.1839561   0.3753775  -0.2573510  -0.1416556  -0.4337083   0.2967478   0.2548545   0.4418111
    7  -0.0138682   0.4396693  -0.2723993  -0.3528821  -0.0940007   0.0661319  -0.3949204   0.0635508   0.2960936   0.1056796
    8   0.0092668  -0.3815907   0.5385489  -0.0337709   0.2976664  -0.0037223  -0.4320851  -0.0312000   0.2125410  -0.4155066
    9  -0.0044776   0.2178591  -0.4021334   0.3208322   0.0801085   0.2544941  -0.3047357  -0.2728759   0.2692284  -0.4698558
   10  -0.0015632   0.0839603  -0.2077178   0.3639781   0.3158592  -0.4127220   0.3891829   0.4307602   0.2669730  -0.2712640
   11  -0.0005498   0.0303134  -0.1048905   0.3655146   0.6251435   0.3216114  -0.1403061  -0.1064690  -0.3651489   0.3614850

          11

    1   0.0337072
    2  -0.0682885
    3   0.3089685
    4   0.1322899
    5   0.4101744
    6  -0.1132709
    7   0.5821722
    8   0.2553805
    9  -0.3946218
   10   0.2759756
   11   0.2532440
alpha_tot

           1           2           3           4           5           6           7           8           9          10

    1  -0.9683648   0.9683670  -0.0633817  -0.0292398   0.0155393   0.0788824   0.0396956   0.1195802   0.1558706  -0.0406428
    2  -0.2338102   0.2338088  -0.0103939  -0.0134937   0.0023549  -0.1490230  -0.1304744  -0.5010044  -0.5962081   0.2114705
    3   0.0623406  -0.0623350  -0.1847032  -0.1028474   0.1701654   0.5783589   0.0883636  -0.4361650  -0.0804315   0.3620528
    4   0.0385861  -0.0386147  -0.2175698  -0.4474245   0.2404316   0.3933421  -0.0061408   0.5080907  -0.1298512   0.0925974
    5  -0.0385555   0.0385478   0.5779547   0.4079437  -0.1114925   0.1225783   0.0416133   0.3427187  -0.2966636   0.3411250
    6  -0.0208647   0.0208611   0.4156434   0.1929455   0.1463515   0.4275908  -0.0149919  -0.2574720   0.4683782  -0.1307938
    7   0.0139138  -0.0138682  -0.4412142   0.2493050  -0.2990003  -0.1710600  -0.0709037  -0.0613030   0.4012406   0.2742371
    8  -0.0093434   0.0092668   0.3874999  -0.5154446   0.1693437  -0.2480246  -0.3073007  -0.2058051   0.2549736   0.1347569
    9   0.0045753  -0.0044776  -0.2260928   0.4043761   0.1513541   0.2285348  -0.5027496   0.0235410   0.0180381   0.1152951
   10   0.0017297  -0.0015632  -0.0976036   0.2520277   0.4863495  -0.0742729   0.4303107  -0.1658191  -0.1229864  -0.4379720
   11   0.0006883  -0.0005498  -0.0416853   0.1487256   0.5102939  -0.1816639  -0.5539995   0.1370828  -0.0558547  -0.1344309
   12  -0.0002695   0.0000000   0.0205803  -0.0869326  -0.4911393   0.3208883  -0.3567877  -0.0979567  -0.2120046  -0.6032820

          11          12          13          14          15          16          17          18          19          20

    1  -0.1210110   0.0958480  -0.0371955   0.0646379   0.0277538   0.0494000  -0.0885924   0.1104813  -0.0303878   0.1547050
    2   0.3883955  -0.3211304   0.0863000   0.0108327   0.0133239  -0.0545991   0.2383773  -0.4631036   0.0941249  -0.6289764
    3  -0.4075680   0.1276583  -0.2715056   0.1860414   0.1037589   0.4532404  -0.4215792  -0.3909183  -0.1731907  -0.3292588
    4   0.4387199  -0.1895089  -0.1107262   0.2236779   0.4555959   0.3912728  -0.2370597   0.4349828   0.2741170  -0.0694827
    5   0.0462898   0.1046804  -0.3717073  -0.5837102  -0.4083902  -0.0216473  -0.2018455   0.2613573   0.3005102  -0.3206138
    6   0.2566149  -0.4285165   0.1248871  -0.4195144  -0.1839561   0.3753775  -0.2573510  -0.1416556  -0.4337083   0.2967478
    7   0.2922702  -0.1602086  -0.5234088   0.4396693  -0.2723993  -0.3528821  -0.0940007   0.0661319  -0.3949204   0.0635508
    8   0.2107277   0.3934990  -0.2646812  -0.3815907   0.5385489  -0.0337709   0.2976664  -0.0037223  -0.4320851  -0.0312000
    9   0.2683848   0.4960496   0.3526215   0.2178591  -0.4021334   0.3208322   0.0801085   0.2544941  -0.3047357  -0.2728759
   10   0.2720364   0.2751655  -0.3404694   0.0839603  -0.2077178   0.3639781   0.3158592  -0.4127220   0.3891829   0.4307602
   11  -0.3632972  -0.3631449  -0.2676916   0.0303134  -0.1048905   0.3655146   0.6251435   0.3216114  -0.1403061  -0.1064690
   12   0.0087992   0.0820362  -0.3090261   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

          21          22          23

    1  -0.1212710  -0.0985014   0.0337072
    2   0.3901602   0.3243396  -0.0682885
    3  -0.4028041  -0.1660469   0.3089685
    4   0.4397231   0.1774577   0.1322899
    5   0.0507223  -0.1483492   0.4101744
    6   0.2548545   0.4418111  -0.1132709
    7   0.2960936   0.1056796   0.5821722
    8   0.2125410  -0.4155066   0.2553805
    9   0.2692284  -0.4698558  -0.3946218
   10   0.2669730  -0.2712640   0.2759756
   11  -0.3651489   0.3614850   0.2532440
   12   0.0000000   0.0000000   0.0000000
Iter=13   L=2   The G Matrix

                0                  1        

    0   0.380341381574142  0.001632495316319
    1   0.000000000000510  0.929074390602209
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001788281881
Norm of residual vector 0  after precondition    0.0001788281881
                     1   0.3803413816   2.78e-16    1.79e-04      N
Norm of residual vector af preconditioning    0.0001069861046
Norm of final new C in schmidt_add():    1.000000000000000
Iter=14   L=3   resetting norm
SigmaSS, D(norm sigma)=   0.5610609854
FSD    , D(norm sigma)=  -0.0000553520
WamefSD, D(norm sigma)=  -0.0081224870
WmnieSD, D(norm sigma)=  -0.0316499604
WmaijDS, D(norm sigma)=   0.0889302668
WabejDS, D(norm sigma)=   0.0103451317
WnmjeDS, D(norm sigma)=   0.0000381487
WbmfeDS, D(norm sigma)=  -0.0004029566
FDD_Fbe, D(norm sigma)=   0.6020072237
FDD_Fmj, D(norm sigma)=   0.9068831810
WmnijDD, D(norm sigma)=   0.4955427805
WabefDD, D(norm sigma)=   0.1715873820
WmbejDD, D(norm sigma)=  -0.6413638333
WmnefDD XAF, D(norm sigma)=   0.0011120452
WmnefDD XLI, D(norm sigma)=   0.0000743323
resetting norm
The G Matrix

                0                  1                  2        

    0   0.380341381574142  0.001632495316319  0.003550067393854
    1   0.000000000000510  0.929074390602209  0.505020136747315
    2   0.000123243870935  0.507872432572807  1.613590904981141
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000973452861
Norm of residual vector 0  after precondition    0.0000973452861
                     1   0.3803410521  -3.30e-07    9.73e-05      N
Norm of residual vector af preconditioning    0.0000542791382
Norm of final new C in schmidt_add():    0.999999999999994
Iter=15   L=4   resetting norm
SigmaSS, D(norm sigma)=   0.6217409675
FSD    , D(norm sigma)=   0.0000084523
WamefSD, D(norm sigma)=  -0.0096173226
WmnieSD, D(norm sigma)=  -0.0247217308
WmaijDS, D(norm sigma)=   0.0870238597
WabejDS, D(norm sigma)=   0.0166043746
WnmjeDS, D(norm sigma)=   0.0003237288
WbmfeDS, D(norm sigma)=  -0.0012198664
FDD_Fbe, D(norm sigma)=   0.6739341750
FDD_Fmj, D(norm sigma)=   0.8747891306
WmnijDD, D(norm sigma)=   0.4609744791
WabefDD, D(norm sigma)=   0.1876753184
WmbejDD, D(norm sigma)=  -0.7135746414
WmnefDD XAF, D(norm sigma)=   0.0009671514
WmnefDD XLI, D(norm sigma)=   0.0001075282
resetting norm
The G Matrix

                0                  1                  2                  3        

    0   0.380341381574142  0.001632495316319  0.003550067393854 -0.001529620790843
    1   0.000000000000510  0.929074390602209  0.505020136747315  0.068770353947887
    2   0.000123243870935  0.507872432572807  1.613590904981141 -0.481610074907164
    3  -0.000019167931923  0.064164684630550 -0.482625254025524  1.603342032360528
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000499708392
Norm of residual vector 0  after precondition    0.0000499708392
                     1   0.3803410747   2.27e-08    5.00e-05      N
Norm of residual vector af preconditioning    0.0000233656843
Norm of final new C in schmidt_add():    1.000000000000004
Iter=16   L=5   resetting norm
SigmaSS, D(norm sigma)=   0.6335938293
FSD    , D(norm sigma)=  -0.0001665012
WamefSD, D(norm sigma)=   0.0024124730
WmnieSD, D(norm sigma)=  -0.0232968031
WmaijDS, D(norm sigma)=   0.0543843978
WabejDS, D(norm sigma)=   0.0090168497
WnmjeDS, D(norm sigma)=  -0.0000000264
WbmfeDS, D(norm sigma)=  -0.0001421101
FDD_Fbe, D(norm sigma)=   0.9999388570
FDD_Fmj, D(norm sigma)=   1.1722176929
WmnijDD, D(norm sigma)=   0.5321423249
WabefDD, D(norm sigma)=   0.2141247053
WmbejDD, D(norm sigma)=  -0.8856466426
WmnefDD XAF, D(norm sigma)=   0.0018721839
WmnefDD XLI, D(norm sigma)=   0.0001026877
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.380341381574142  0.001632495316319  0.003550067393854 -0.001529620790843  0.005901885722889
    1   0.000000000000510  0.929074390602209  0.505020136747315  0.068770353947887  0.128389417958693
    2   0.000123243870935  0.507872432572807  1.613590904981141 -0.481610074907164  0.286915082319087
    3  -0.000019167931923  0.064164684630550 -0.482625254025524  1.603342032360528  0.476953806266878
    4   0.000039183288684  0.122714213548820  0.289697135918475  0.470380889003354  2.036877301196523
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000200910412
Norm of residual vector 0  after precondition    0.0000200910412
                     1   0.3803412390   1.64e-07    2.01e-05      N
Norm of residual vector af preconditioning    0.0000106678675
Norm of final new C in schmidt_add():    0.999999999999989
Iter=17   L=6   resetting norm
SigmaSS, D(norm sigma)=   0.5833565083
FSD    , D(norm sigma)=  -0.0001601659
WamefSD, D(norm sigma)=  -0.0116189199
WmnieSD, D(norm sigma)=  -0.0436745693
WmaijDS, D(norm sigma)=   0.0655188983
WabejDS, D(norm sigma)=   0.0140003324
WnmjeDS, D(norm sigma)=  -0.0001953337
WbmfeDS, D(norm sigma)=  -0.0001651560
FDD_Fbe, D(norm sigma)=   1.1248252340
FDD_Fmj, D(norm sigma)=   1.0984026714
WmnijDD, D(norm sigma)=   0.5235844696
WabefDD, D(norm sigma)=   0.2174836186
WmbejDD, D(norm sigma)=  -0.8871411639
WmnefDD XAF, D(norm sigma)=   0.0013214600
WmnefDD XLI, D(norm sigma)=   0.0001176257
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.380341381574142  0.001632495316319  0.003550067393854 -0.001529620790843  0.005901885722889
    1   0.000000000000510  0.929074390602209  0.505020136747315  0.068770353947887  0.128389417958693
    2   0.000123243870935  0.507872432572807  1.613590904981141 -0.481610074907164  0.286915082319087
    3  -0.000019167931923  0.064164684630550 -0.482625254025524  1.603342032360528  0.476953806266878
    4   0.000039183288684  0.122714213548820  0.289697135918475  0.470380889003354  2.036877301196523
    5  -0.000009222286399  0.095980663994859 -0.144906741401630  0.474217223966728 -0.438609106126534

                5        

    0  -0.004510213177174
    1   0.091511576023471
    2  -0.149385105959190
    3   0.475070949983198
    4  -0.438711743099274
    5   2.038523385315872
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000087846855
Norm of residual vector 0  after precondition    0.0000087846855
                     1   0.3803412214  -1.76e-08    8.78e-06      N
Norm of residual vector af preconditioning    0.0000047079729
Norm of final new C in schmidt_add():    0.999999999999994
Iter=18   L=7   resetting norm
SigmaSS, D(norm sigma)=   0.6489805986
FSD    , D(norm sigma)=  -0.0000012790
WamefSD, D(norm sigma)=  -0.0056460392
WmnieSD, D(norm sigma)=  -0.0170059049
WmaijDS, D(norm sigma)=   0.0589629724
WabejDS, D(norm sigma)=   0.0137061754
WnmjeDS, D(norm sigma)=  -0.0000452345
WbmfeDS, D(norm sigma)=  -0.0001987849
FDD_Fbe, D(norm sigma)=   1.1276379605
FDD_Fmj, D(norm sigma)=   1.1803188829
WmnijDD, D(norm sigma)=   0.5007641634
WabefDD, D(norm sigma)=   0.2060926622
WmbejDD, D(norm sigma)=  -0.9200089583
WmnefDD XAF, D(norm sigma)=   0.0009162927
WmnefDD XLI, D(norm sigma)=   0.0001353462
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.380341381574142  0.001632495316319  0.003550067393854 -0.001529620790843  0.005901885722889
    1   0.000000000000510  0.929074390602209  0.505020136747315  0.068770353947887  0.128389417958693
    2   0.000123243870935  0.507872432572807  1.613590904981141 -0.481610074907164  0.286915082319087
    3  -0.000019167931923  0.064164684630550 -0.482625254025524  1.603342032360528  0.476953806266878
    4   0.000039183288684  0.122714213548820  0.289697135918475  0.470380889003354  2.036877301196523
    5  -0.000009222286399  0.095980663994859 -0.144906741401630  0.474217223966728 -0.438609106126534
    6   0.000032827238916  0.116720963911262  0.313518794891078  0.044009893706616  0.621799029056275

                5                  6        

    0  -0.004510213177174  0.000730006657790
    1   0.091511576023471  0.119228936723716
    2  -0.149385105959190  0.313561476182200
    3   0.475070949983198  0.041875551867269
    4  -0.438711743099274  0.621499689178044
    5   2.038523385315872  0.394738325880584
    6   0.396659663748565  2.020007921062260
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000039601823
Norm of residual vector 0  after precondition    0.0000039601823
                     1   0.3803412295   8.12e-09    3.96e-06      N
Norm of residual vector af preconditioning    0.0000019222670
Norm of final new C in schmidt_add():    1.000000000000002
Iter=19   L=8   resetting norm
SigmaSS, D(norm sigma)=   0.5729099503
FSD    , D(norm sigma)=  -0.0000841494
WamefSD, D(norm sigma)=   0.0038092374
WmnieSD, D(norm sigma)=  -0.0213389687
WmaijDS, D(norm sigma)=   0.0569390470
WabejDS, D(norm sigma)=   0.0151237158
WnmjeDS, D(norm sigma)=   0.0002601910
WbmfeDS, D(norm sigma)=  -0.0009012035
FDD_Fbe, D(norm sigma)=   1.2396450864
FDD_Fmj, D(norm sigma)=   1.1511367890
WmnijDD, D(norm sigma)=   0.5295381494
WabefDD, D(norm sigma)=   0.2187680914
WmbejDD, D(norm sigma)=  -0.9545564326
WmnefDD XAF, D(norm sigma)=   0.0015093523
WmnefDD XLI, D(norm sigma)=   0.0001627369
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.380341381574142  0.001632495316319  0.003550067393854 -0.001529620790843  0.005901885722889
    1   0.000000000000510  0.929074390602209  0.505020136747315  0.068770353947887  0.128389417958693
    2   0.000123243870935  0.507872432572807  1.613590904981141 -0.481610074907164  0.286915082319087
    3  -0.000019167931923  0.064164684630550 -0.482625254025524  1.603342032360528  0.476953806266878
    4   0.000039183288684  0.122714213548820  0.289697135918475  0.470380889003354  2.036877301196523
    5  -0.000009222286399  0.095980663994859 -0.144906741401630  0.474217223966728 -0.438609106126534
    6   0.000032827238916  0.116720963911262  0.313518794891078  0.044009893706616  0.621799029056275
    7   0.000000189273704  0.074771518167113  0.009935205869611  0.160385063785741 -0.126903299766170

                5                  6                  7        

    0  -0.004510213177174  0.000730006657790  0.002307532873716
    1   0.091511576023471  0.119228936723716  0.070805034915201
    2  -0.149385105959190  0.313561476182200  0.015458508019987
    3   0.475070949983198  0.041875551867269  0.159389533009867
    4  -0.438711743099274  0.621499689178044 -0.125792055901401
    5   2.038523385315872  0.394738325880584  0.551906460245449
    6   0.396659663748565  2.020007921062260 -0.477783912357939
    7   0.553112333150739 -0.475959103862232  2.119461901650661
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000016990323
Norm of residual vector 0  after precondition    0.0000016990323
                     1   0.3803412222  -7.32e-09    1.70e-06      N
Norm of residual vector af preconditioning    0.0000009915463
Norm of final new C in schmidt_add():    1.000000000000006
Iter=20   L=9   resetting norm
SigmaSS, D(norm sigma)=   0.6271616870
FSD    , D(norm sigma)=  -0.0000821748
WamefSD, D(norm sigma)=  -0.0013168411
WmnieSD, D(norm sigma)=  -0.0318162695
WmaijDS, D(norm sigma)=   0.0937783590
WabejDS, D(norm sigma)=   0.0068086121
WnmjeDS, D(norm sigma)=  -0.0003087689
WbmfeDS, D(norm sigma)=  -0.0006606766
FDD_Fbe, D(norm sigma)=   0.9596098081
FDD_Fmj, D(norm sigma)=   1.0406516496
WmnijDD, D(norm sigma)=   0.4316576432
WabefDD, D(norm sigma)=   0.1985542858
WmbejDD, D(norm sigma)=  -0.7704008837
WmnefDD XAF, D(norm sigma)=   0.0008619672
WmnefDD XLI, D(norm sigma)=   0.0001191321
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.380341381574142  0.001632495316319  0.003550067393854 -0.001529620790843  0.005901885722889
    1   0.000000000000510  0.929074390602209  0.505020136747315  0.068770353947887  0.128389417958693
    2   0.000123243870935  0.507872432572807  1.613590904981141 -0.481610074907164  0.286915082319087
    3  -0.000019167931923  0.064164684630550 -0.482625254025524  1.603342032360528  0.476953806266878
    4   0.000039183288684  0.122714213548820  0.289697135918475  0.470380889003354  2.036877301196523
    5  -0.000009222286399  0.095980663994859 -0.144906741401630  0.474217223966728 -0.438609106126534
    6   0.000032827238916  0.116720963911262  0.313518794891078  0.044009893706616  0.621799029056275
    7   0.000000189273704  0.074771518167113  0.009935205869611  0.160385063785741 -0.126903299766170
    8  -0.000006681790285 -0.055864651964932 -0.103379726870722  0.112424681247396  0.136181615803142

                5                  6                  7                  8        

    0  -0.004510213177174  0.000730006657790  0.002307532873716  0.002118198795970
    1   0.091511576023471  0.119228936723716  0.070805034915201 -0.062788596435479
    2  -0.149385105959190  0.313561476182200  0.015458508019987 -0.104716543279060
    3   0.475070949983198  0.041875551867269  0.159389533009867  0.114369422348951
    4  -0.438711743099274  0.621499689178044 -0.125792055901401  0.134506309467518
    5   2.038523385315872  0.394738325880584  0.551906460245449  0.300577301543133
    6   0.396659663748565  2.020007921062260 -0.477783912357939  0.504178289582840
    7   0.553112333150739 -0.475959103862232  2.119461901650661  0.551479767859354
    8   0.300924280565509  0.500238173341145  0.557730517960269  1.712998502222901
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000009522507
Norm of residual vector 0  after precondition    0.0000009522507
                     1   0.3803412240   1.83e-09    9.52e-07      Y
Collapsing to only 1 vector(s).
alpha

           1           2           3           4           5           6           7           8           9

    1  -0.9999999   0.0041574   0.0001355   0.0000801   0.0010460   0.0039248  -0.0018594   0.0013978   0.0012981
    2  -0.0002301   0.6028944   0.3889371  -0.5167429  -0.3723409   0.0621108  -0.2412569   0.1151265   0.0360386
    3   0.0002458  -0.4805359  -0.3142932  -0.1699741  -0.3389354   0.0956630  -0.6592755   0.1623233   0.2366448
    4   0.0001168  -0.4673507   0.1162529  -0.4160969  -0.3558394   0.1683283   0.5753961   0.2454262  -0.2391327
    5  -0.0000432   0.3084683  -0.2986661   0.3128790  -0.1116434   0.5353076   0.2123266   0.5364958   0.2891616
    6  -0.0000185   0.2209546  -0.4110359   0.2005683  -0.3888071  -0.4572800  -0.0374117   0.2215634  -0.5741148
    7   0.0000085  -0.1713660   0.5109569   0.2270647   0.1529535  -0.4125151  -0.1008162   0.6645460   0.1285810
    8   0.0000034  -0.1016716   0.3646021   0.3306696  -0.0018186   0.5327005  -0.3151359  -0.0218849  -0.5973238
    9  -0.0000015   0.0590981  -0.2902918  -0.4815883   0.6578974   0.0950966  -0.1418101   0.3480556  -0.3145843
alpha_old

           1           2           3           4           5           6           7           8

    1   0.9999999   0.0037942  -0.0008963  -0.0017151   0.0039803  -0.0011635  -0.0002774   0.0019306
    2   0.0002300   0.6192014  -0.4715888   0.5244450   0.1340079  -0.2775591   0.1074500   0.0908325
    3  -0.0002460  -0.5083087   0.2171297   0.3365395   0.2086473  -0.6714604  -0.0186498   0.2875328
    4  -0.0001167  -0.4652347  -0.2617344   0.4674691   0.1599453   0.5094224   0.4606952  -0.0704176
    5   0.0000429   0.2925829   0.4169444  -0.1281663   0.5345064   0.2398946   0.3042013   0.5392832
    6   0.0000182   0.1953150   0.4994755   0.1370931  -0.3621439  -0.2082523   0.6235513  -0.3604944
    7  -0.0000076  -0.1203238  -0.4246891  -0.4213279  -0.3807958  -0.1842677   0.4726752   0.4824943
    8  -0.0000026  -0.0593606  -0.2413997  -0.4247706   0.5925024  -0.2787764   0.2666271  -0.5005283
alpha_tot

           1           2           3           4           5           6           7           8           9

    1  -0.9999999   0.0041574   0.0001355   0.0000801   0.0010460   0.0039248  -0.0018594   0.0013978   0.0012981
    2  -0.0002301   0.6028944   0.3889371  -0.5167429  -0.3723409   0.0621108  -0.2412569   0.1151265   0.0360386
    3   0.0002458  -0.4805359  -0.3142932  -0.1699741  -0.3389354   0.0956630  -0.6592755   0.1623233   0.2366448
    4   0.0001168  -0.4673507   0.1162529  -0.4160969  -0.3558394   0.1683283   0.5753961   0.2454262  -0.2391327
    5  -0.0000432   0.3084683  -0.2986661   0.3128790  -0.1116434   0.5353076   0.2123266   0.5364958   0.2891616
    6  -0.0000185   0.2209546  -0.4110359   0.2005683  -0.3888071  -0.4572800  -0.0374117   0.2215634  -0.5741148
    7   0.0000085  -0.1713660   0.5109569   0.2270647   0.1529535  -0.4125151  -0.1008162   0.6645460   0.1285810
    8   0.0000034  -0.1016716   0.3646021   0.3306696  -0.0018186   0.5327005  -0.3151359  -0.0218849  -0.5973238
    9  -0.0000015   0.0590981  -0.2902918  -0.4815883   0.6578974   0.0950966  -0.1418101   0.3480556  -0.3145843

Procedure converged for 1 root(s).
EOM CCSD R0 for root 0 =  -0.00104973461
Norm with produced ROHF-like quantities =    1.0000000000

	DPD File2: RIA 0 0
	DPD Parameters:
	------------------
	pnum = 0   qnum = 1   irrep = 0 
	Irreps = 4

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     3	col =    32
	   Irrep: 1 row =     0	col =    12
	   Irrep: 2 row =     1	col =    17
	   Irrep: 3 row =     1	col =    26

	File 122 DPD File2: RIA 0 0
	Matrix for Irrep 0
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      (  0)              (  1)              (  2)              (  3)              (  4)              (  5)              (  6)              (  7)              (  8)    

    0  (  0)  0.000161876416631  0.000086576128319 -0.000070395436308 -0.000000073188991 -0.000021947965864 -0.000049346065358  0.000003674110243  0.000009648938568 -0.000006219350021
    1  (  1)  0.018375396828878  0.001713633815970 -0.012379671585833 -0.001932579298518  0.006100834127351 -0.005083358490755  0.001404853388566 -0.000332394032050 -0.002038352698749
    2  (  2)  0.568921869998820  0.220445687480797 -0.263388723662274 -0.006693762547167 -0.000903073632390 -0.109354926782439  0.005244590569691 -0.005078336483216 -0.008426376795689

                         9                 10                 11                 12                 13                 14                 15                 16                 17     
                      (  9)              ( 10)              ( 11)              ( 12)              ( 13)              ( 14)              ( 15)              ( 16)              ( 17)    

    0  (  0) -0.000009647281551  0.000007491353957 -0.000014166152265  0.000013706793900  0.000013360513566 -0.000055501262503 -0.000015440086184 -0.000005971733549 -0.000012586050453
    1  (  1) -0.000711044930745  0.000317288689041 -0.003675597300637  0.000227789153309 -0.000711443438835  0.001079101852352  0.001617899598637 -0.000072841285736  0.001121706691485
    2  (  2)  0.002529859321689  0.007129651180118 -0.026029235089239  0.001919154400635 -0.002258638871586 -0.001380805370518  0.004494391545769 -0.001130017193570  0.002057468764824

                        18                 19                 20                 21                 22                 23                 24                 25                 26     
                      ( 18)              ( 19)              ( 20)              ( 21)              ( 22)              ( 23)              ( 24)              ( 25)              ( 26)    

    0  (  0) -0.000034865192846  0.000023386969160 -0.000046673700046  0.000007635544294 -0.000047448543552  0.000151040709796  0.000039198851136 -0.000036493739798  0.000126818606343
    1  (  1) -0.001105105142788 -0.000671907883774  0.000223662105085 -0.000020215785353  0.000158757186490 -0.000601606965340 -0.000285781972959 -0.000046949046022 -0.000273806534703
    2  (  2) -0.003486856673650 -0.002762923695744  0.000201105446928 -0.000051226897584  0.000442124817447 -0.001267736454240 -0.001441938792519 -0.000213720580413 -0.000403853082379

                        27                 28                 29                 30                 31     
                      ( 27)              ( 28)              ( 29)              ( 30)              ( 31)    

    0  (  0)  0.000059139484526  0.000013901042752  0.000010151035449 -0.000030290463106  0.000000155582306
    1  (  1)  0.000053944847133  0.000182483491515  0.000015071631995  0.000011572756396  0.000009761687003
    2  (  2) -0.000936196669703 -0.000759216952892  0.000658958022583  0.000340821052851  0.000243170267181

	File 122 DPD File2: RIA 0 0
	Matrix for Irrep 1
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 32)              ( 33)              ( 34)              ( 35)              ( 36)              ( 37)              ( 38)              ( 39)              ( 40)    


                         9                 10                 11     
                      ( 41)              ( 42)              ( 43)    


	File 122 DPD File2: RIA 0 0
	Matrix for Irrep 2
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 44)              ( 45)              ( 46)              ( 47)              ( 48)              ( 49)              ( 50)              ( 51)              ( 52)    

    0  (  3)  0.118943505137754 -0.044675351526586  0.001510697456062 -0.012097610044324  0.009281665824842 -0.008856100964817  0.002868638229897 -0.000719204882224  0.000591475404558

                         9                 10                 11                 12                 13                 14                 15                 16     
                      ( 53)              ( 54)              ( 55)              ( 56)              ( 57)              ( 58)              ( 59)              ( 60)    

    0  (  3)  0.001294896985508  0.000180461189456  0.000012254788336  0.000163839244344 -0.000259727071898  0.000785617954979 -0.000724134735490 -0.001103621927881

	File 122 DPD File2: RIA 0 0
	Matrix for Irrep 3
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 61)              ( 62)              ( 63)              ( 64)              ( 65)              ( 66)              ( 67)              ( 68)              ( 69)    

    0  (  4) -0.000741863941366  0.003197643908968  0.001796177916610 -0.000356482527360  0.006269470844929 -0.005607616810375 -0.000127594005455 -0.001315667433036  0.004447257072935

                         9                 10                 11                 12                 13                 14                 15                 16                 17     
                      ( 70)              ( 71)              ( 72)              ( 73)              ( 74)              ( 75)              ( 76)              ( 77)              ( 78)    

    0  (  4)  0.000759755639741 -0.000805079691169 -0.000553913278574  0.001001186903351  0.000634360634183  0.000520180170503 -0.000138659060912 -0.000799547919786  0.000262960679515

                        18                 19                 20                 21                 22                 23                 24                 25     
                      ( 79)              ( 80)              ( 81)              ( 82)              ( 83)              ( 84)              ( 85)              ( 86)    

    0  (  4) -0.000133262417645 -0.000026126768355 -0.000704555745897 -0.000469852582816 -0.000441799526919  0.000241584503758  0.000163178087707  0.000643393581819

Final Energetic Summary for Converged Roots of Irrep A1 
                     Excitation Energy              Total Energy
                (eV)     (cm^-1)     (au)             (au)
EOM State 1     10.350    83475.2   0.3803412240   -75.9612725834

Largest components of excited wave function #1:
	          2   0         0.5689218700
	          2   2        -0.2633887237
	          2   1         0.2204456875
	          3  44         0.1189435051
	          2   5        -0.1093549268
	  2   2   0   9        -0.0382368647
	  2   2   9   0        -0.0382368647
	  2   2   0   1        -0.0355828491
	  2   2   1   0        -0.0355828491
	  2   2   0   4         0.0354767251


Symmetry of excited state: B2 
Symmetry of right eigenvector: B2 
Seeking states with multiplicity of 1
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)=   1.3537282483
SigmaSS, D(norm sigma)=   0.0829639058
SigmaSS, D(norm sigma)=  -0.8455415264
SigmaSS, D(norm sigma)=   0.0815809426
SigmaSS, D(norm sigma)=  -0.0288829295
SigmaSS, D(norm sigma)=   0.3871904848
SigmaSS, D(norm sigma)=  -0.3368760058
SigmaSS, D(norm sigma)=   0.0746828559
SigmaSS, D(norm sigma)=  -0.1946404739
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   0.2653398143
SigmaSS, D(norm sigma)=  -0.2751251096
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   0.2006914960
SigmaSS, D(norm sigma)=  -0.2006914960
SigmaSS, D(norm sigma)=   0.2006914960
SigmaSS, D(norm sigma)=   0.2888807373
SigmaSS, D(norm sigma)=  -0.4895722333
SigmaSS, D(norm sigma)=   0.2006914960
SigmaSS, D(norm sigma)=   0.2888807373
SigmaSS, D(norm sigma)=   0.4056543805
SigmaSS, D(norm sigma)=  -0.8952266138
SigmaSS, D(norm sigma)=   0.2006914960
SigmaSS, D(norm sigma)=   0.2888807373
SigmaSS, D(norm sigma)=   0.4056543805
SigmaSS, D(norm sigma)=   0.2602882054
SigmaSS, D(norm sigma)=  -1.1555148191
SigmaSS, D(norm sigma)=   0.2006914960
SigmaSS, D(norm sigma)=   0.2888807373
SigmaSS, D(norm sigma)=   0.4056543805
SigmaSS, D(norm sigma)=   0.2602882054
SigmaSS, D(norm sigma)=   1.5685972689
SigmaSS, D(norm sigma)=  -2.7259960264
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   1.1444388684
SigmaSS, D(norm sigma)=  -1.1444388684
SigmaSS, D(norm sigma)=   1.1444388684
SigmaSS, D(norm sigma)=   4.1051464360
SigmaSS, D(norm sigma)=  -5.2495853045
SigmaSS, D(norm sigma)=   1.1444388684
SigmaSS, D(norm sigma)=   4.1051464360
SigmaSS, D(norm sigma)=   0.5303392766
SigmaSS, D(norm sigma)=  -5.7799245811
SigmaSS, D(norm sigma)=   1.1444388684
SigmaSS, D(norm sigma)=   4.1051464360
SigmaSS, D(norm sigma)=   0.5303392766
SigmaSS, D(norm sigma)=   2.0072634259
SigmaSS, D(norm sigma)=  -7.7871880070
SigmaSS, D(norm sigma)=   1.1444388684
SigmaSS, D(norm sigma)=   4.1051464360
SigmaSS, D(norm sigma)=   0.5303392766
SigmaSS, D(norm sigma)=   2.0072634259
SigmaSS, D(norm sigma)=  -0.3587708905
SigmaSS, D(norm sigma)=  -7.4284172315
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   1.1423598536
Done.


	DPD File2: CME 0
	DPD Parameters:
	------------------
	pnum = 0   qnum = 1   irrep = 3 
	Irreps = 4

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     3	col =    26
	   Irrep: 1 row =     0	col =    17
	   Irrep: 2 row =     1	col =    12
	   Irrep: 3 row =     1	col =    32

	File 141 DPD File2: CME 0
	Matrix for Irrep 0
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 61)              ( 62)              ( 63)              ( 64)              ( 65)              ( 66)              ( 67)              ( 68)              ( 69)    

    0  (  0) -0.000040539735348  0.000061347261015  0.000070525703950 -0.000004149832956  0.000105431004203 -0.000043036388571 -0.000024669936758 -0.000053470489663  0.000119975575125
    1  (  1) -0.000177934529116 -0.000361417637308 -0.009803401650611 -0.001779225909528 -0.001012295602541  0.001618500861851  0.001253404643199 -0.000596379602746  0.001377706911380
    2  (  2) -0.605646447882205  0.325252513119697  0.099011857887301 -0.021272279155606  0.112442839638783 -0.014925134503718 -0.005245335068943 -0.016832405895910  0.030327240239688

                         9                 10                 11                 12                 13                 14                 15                 16                 17     
                      ( 70)              ( 71)              ( 72)              ( 73)              ( 74)              ( 75)              ( 76)              ( 77)              ( 78)    

    0  (  0)  0.000031861463716  0.000058933637433 -0.000047796197434  0.000063914505185  0.000130904749648  0.000077420354507  0.000002083887672 -0.000067887954360 -0.000025529810123
    1  (  1) -0.000073496568279 -0.001039062171618 -0.000637167905571  0.002150440718543 -0.000370335224502 -0.000607295326091  0.000004449481769  0.000254308755302 -0.000104921127366
    2  (  2)  0.006787772114888  0.009683489203751 -0.003880056018491  0.006836825734768  0.005545202408589  0.002797220279294  0.000174945236083 -0.000604199029248 -0.000578971006056

                        18                 19                 20                 21                 22                 23                 24                 25     
                      ( 79)              ( 80)              ( 81)              ( 82)              ( 83)              ( 84)              ( 85)              ( 86)    

    0  (  0) -0.000086419100386 -0.000183957247167 -0.000021741281761  0.000089643890556 -0.000114081369043  0.000084071733338 -0.000100931441686 -0.000002360825494
    1  (  1) -0.000347062452768 -0.000489105496051  0.000553015537994  0.000210874980548 -0.000190003180271  0.000154072267812 -0.000016277960773 -0.000292178722412
    2  (  2) -0.001149491326478 -0.002219164678614 -0.000091585812002  0.001224748401089 -0.000633420243687  0.000166045850169 -0.000816342953447  0.000031729099839

	File 141 DPD File2: CME 0
	Matrix for Irrep 1
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 44)              ( 45)              ( 46)              ( 47)              ( 48)              ( 49)              ( 50)              ( 51)              ( 52)    


                         9                 10                 11                 12                 13                 14                 15                 16     
                      ( 53)              ( 54)              ( 55)              ( 56)              ( 57)              ( 58)              ( 59)              ( 60)    


	File 141 DPD File2: CME 0
	Matrix for Irrep 2
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 32)              ( 33)              ( 34)              ( 35)              ( 36)              ( 37)              ( 38)              ( 39)              ( 40)    

    0  (  3)  0.045475809740270 -0.014152417174857 -0.003381126442509 -0.001275573419426 -0.003023943565305 -0.001370293021833 -0.000775439139461 -0.000000524869515 -0.000088511020779

                         9                 10                 11     
                      ( 41)              ( 42)              ( 43)    

    0  (  3)  0.000281288912211 -0.000518765483199  0.000170580756785

	File 141 DPD File2: CME 0
	Matrix for Irrep 3
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      (  0)              (  1)              (  2)              (  3)              (  4)              (  5)              (  6)              (  7)              (  8)    

    0  (  4) -0.014996103593601 -0.008106146523867  0.005441843071065 -0.000909292098488  0.001633866302282 -0.001365127737219  0.006010606068188 -0.001201690793291  0.002028199400143

                         9                 10                 11                 12                 13                 14                 15                 16                 17     
                      (  9)              ( 10)              ( 11)              ( 12)              ( 13)              ( 14)              ( 15)              ( 16)              ( 17)    

    0  (  4)  0.001246099986132  0.001169922339901 -0.002303685776684  0.001840245313275  0.002517067617510  0.001566888584579  0.001338901584849 -0.000287173567940 -0.000136697376783

                        18                 19                 20                 21                 22                 23                 24                 25                 26     
                      ( 18)              ( 19)              ( 20)              ( 21)              ( 22)              ( 23)              ( 24)              ( 25)              ( 26)    

    0  (  4) -0.000842473645352  0.001393904257211 -0.000222002104011  0.000113685918162 -0.000016315884223 -0.000096458837183 -0.000428342247244  0.000203139400641 -0.000078842362293

                        27                 28                 29                 30                 31     
                      ( 27)              ( 28)              ( 29)              ( 30)              ( 31)    

    0  (  4)  0.000025238868987  0.000140447474383 -0.000184784411867 -0.000454838641166 -0.000003026246225
resetting norm
Iter=1    L=1   resetting norm
SigmaSS, D(norm sigma)=   0.5625361547
FSD    , D(norm sigma)=   0.0000000000
WamefSD, D(norm sigma)=   0.0000000000
WmnieSD, D(norm sigma)=   0.0000000000
WmaijDS, D(norm sigma)=   0.1767025232
WabejDS, D(norm sigma)=   0.0227050364
WnmjeDS, D(norm sigma)=  -0.0000279084
WbmfeDS, D(norm sigma)=   0.0000484693
FDD_Fbe, D(norm sigma)=   0.0000000000
FDD_Fmj, D(norm sigma)=   0.0000000000
WmnijDD, D(norm sigma)=   0.0000000000
WabefDD, D(norm sigma)=   0.0000000000
WmbejDD, D(norm sigma)=   0.0000000000
WmnefDD XAF, D(norm sigma)=   0.0000000000
WmnefDD XLI, D(norm sigma)=   0.0000000000
resetting norm
The G Matrix

                0        

    0   0.562536154734051
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.5139480823806
Norm of residual vector 0  after precondition    0.5139480823806
                     1   0.5625361547   5.63e-01    5.14e-01      N
Norm of residual vector af preconditioning    0.2389552210189
Norm of final new C in schmidt_add():    1.000000000000004
Iter=2    L=2   resetting norm
SigmaSS, D(norm sigma)=   0.0000068231
FSD    , D(norm sigma)=   0.0018148590
WamefSD, D(norm sigma)=   0.0620601426
WmnieSD, D(norm sigma)=   0.4277713254
WmaijDS, D(norm sigma)=   0.0000000000
WabejDS, D(norm sigma)=   0.0000000000
WnmjeDS, D(norm sigma)=   0.0000000000
WbmfeDS, D(norm sigma)=  -0.0000000000
FDD_Fbe, D(norm sigma)=   0.9078305186
FDD_Fmj, D(norm sigma)=   1.2929769434
WmnijDD, D(norm sigma)=   0.6103670568
WabefDD, D(norm sigma)=   0.2280134750
WmbejDD, D(norm sigma)=  -1.0428857094
WmnefDD XAF, D(norm sigma)=   0.0202297602
WmnefDD XLI, D(norm sigma)=   0.0000655555
resetting norm
The G Matrix

                0                  1        

    0   0.562536154734051 -0.480657833124694
    1  -0.418297688723273  2.183037965640998
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0883283189624
Norm of residual vector 0  after precondition    0.0883283189624
                     1   0.4467392264  -1.16e-01    8.83e-02      N
Norm of residual vector af preconditioning    0.0409931503029
Norm of final new C in schmidt_add():    0.999999999999999
Iter=3    L=3   resetting norm
SigmaSS, D(norm sigma)=   0.7270734906
FSD    , D(norm sigma)=   0.0000731970
WamefSD, D(norm sigma)=   0.0009921328
WmnieSD, D(norm sigma)=   0.0170707515
WmaijDS, D(norm sigma)=   0.0753083680
WabejDS, D(norm sigma)=   0.0124840824
WnmjeDS, D(norm sigma)=  -0.0000630539
WbmfeDS, D(norm sigma)=   0.0001212731
FDD_Fbe, D(norm sigma)=   0.9684050139
FDD_Fmj, D(norm sigma)=   0.9469520197
WmnijDD, D(norm sigma)=   0.4748662144
WabefDD, D(norm sigma)=   0.1899336283
WmbejDD, D(norm sigma)=  -0.9795477232
WmnefDD XAF, D(norm sigma)=   0.0021870133
WmnefDD XLI, D(norm sigma)=   0.0000162386
resetting norm
The G Matrix

                0                  1                  2        

    0   0.562536154734051 -0.480657833124694  0.109352036884627
    1  -0.418297688723273  2.183037965640998 -0.134037370596108
    2   0.097650569560806 -0.119181962249385  1.985588125413840
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0253171321487
Norm of residual vector 0  after precondition    0.0253171321487
                     1   0.4436875978  -3.05e-03    2.53e-02      N
Norm of residual vector af preconditioning    0.0121597801156
Norm of final new C in schmidt_add():    1.000000000000000
Iter=4    L=4   resetting norm
SigmaSS, D(norm sigma)=   0.5938854453
FSD    , D(norm sigma)=   0.0000217978
WamefSD, D(norm sigma)=  -0.0299601651
WmnieSD, D(norm sigma)=  -0.0433910107
WmaijDS, D(norm sigma)=   0.0803764822
WabejDS, D(norm sigma)=   0.0089668019
WnmjeDS, D(norm sigma)=   0.0000362390
WbmfeDS, D(norm sigma)=  -0.0000254105
FDD_Fbe, D(norm sigma)=   0.7683292564
FDD_Fmj, D(norm sigma)=   1.0560808147
WmnijDD, D(norm sigma)=   0.5088536003
WabefDD, D(norm sigma)=   0.2344252419
WmbejDD, D(norm sigma)=  -0.9254773636
WmnefDD XAF, D(norm sigma)=   0.0048415391
WmnefDD XLI, D(norm sigma)=   0.0005640759
resetting norm
The G Matrix

                0                  1                  2                  3        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0097719567516
Norm of residual vector 0  after precondition    0.0097719567516
                     1   0.4434964340  -1.91e-04    9.77e-03      N
Norm of residual vector af preconditioning    0.0053377466808
Norm of final new C in schmidt_add():    1.000000000000001
Iter=5    L=5   resetting norm
SigmaSS, D(norm sigma)=   0.5627534572
FSD    , D(norm sigma)=   0.0001077662
WamefSD, D(norm sigma)=  -0.0031211828
WmnieSD, D(norm sigma)=   0.0160997405
WmaijDS, D(norm sigma)=   0.0969670141
WabejDS, D(norm sigma)=   0.0103602830
WnmjeDS, D(norm sigma)=   0.0000432424
WbmfeDS, D(norm sigma)=  -0.0003461184
FDD_Fbe, D(norm sigma)=   1.1700998348
FDD_Fmj, D(norm sigma)=   0.9639210315
WmnijDD, D(norm sigma)=   0.4374782583
WabefDD, D(norm sigma)=   0.1727046226
WmbejDD, D(norm sigma)=  -0.8912283398
WmnefDD XAF, D(norm sigma)=   0.0021886122
WmnefDD XLI, D(norm sigma)=   0.0000740523
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445 -0.081444176734185
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013  0.200869928057387
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891 -0.582532270785381
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122 -0.334208322200121
    4  -0.074591324481069  0.202331073886309 -0.580785983748476 -0.340605103856936  1.821768829972186
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0039030105664
Norm of residual vector 0  after precondition    0.0039030105664
                     1   0.4434588727  -3.76e-05    3.90e-03      N
Norm of residual vector af preconditioning    0.0026723964873
Norm of final new C in schmidt_add():    1.000000000000010
Iter=6    L=6   resetting norm
SigmaSS, D(norm sigma)=   0.6020639111
FSD    , D(norm sigma)=   0.0000038086
WamefSD, D(norm sigma)=  -0.0206849755
WmnieSD, D(norm sigma)=  -0.0342706572
WmaijDS, D(norm sigma)=   0.0974400042
WabejDS, D(norm sigma)=   0.0152136717
WnmjeDS, D(norm sigma)=  -0.0000022384
WbmfeDS, D(norm sigma)=  -0.0001714135
FDD_Fbe, D(norm sigma)=   0.7206961694
FDD_Fmj, D(norm sigma)=   0.9138453443
WmnijDD, D(norm sigma)=   0.4316249416
WabefDD, D(norm sigma)=   0.2109989075
WmbejDD, D(norm sigma)=  -0.7745360606
WmnefDD XAF, D(norm sigma)=   0.0036246151
WmnefDD XLI, D(norm sigma)=   0.0004542099
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445 -0.081444176734185
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013  0.200869928057387
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891 -0.582532270785381
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122 -0.334208322200121
    4  -0.074591324481069  0.202331073886309 -0.580785983748476 -0.340605103856936  1.821768829972186
    5   0.053527355319533 -0.223619364875793  0.158631470043360 -0.361947509072286 -0.611885967037673

                5        

    0   0.067855071120301
    1  -0.219195745605276
    2   0.161708595735560
    3  -0.359354800096856
    4  -0.611301562826420
    5   1.572690393116130
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0030220035792
Norm of residual vector 0  after precondition    0.0030220035792
                     1   0.4434261887  -3.27e-05    3.02e-03      N
Norm of residual vector af preconditioning    0.0017490400224
Norm of final new C in schmidt_add():    1.000000000000006
Iter=7    L=7   resetting norm
SigmaSS, D(norm sigma)=   0.6654219631
FSD    , D(norm sigma)=   0.0002607085
WamefSD, D(norm sigma)=  -0.0081487752
WmnieSD, D(norm sigma)=   0.0072651099
WmaijDS, D(norm sigma)=   0.0638552674
WabejDS, D(norm sigma)=   0.0172135623
WnmjeDS, D(norm sigma)=  -0.0000412008
WbmfeDS, D(norm sigma)=  -0.0000965912
FDD_Fbe, D(norm sigma)=   1.6065624802
FDD_Fmj, D(norm sigma)=   1.0923896710
WmnijDD, D(norm sigma)=   0.4998218607
WabefDD, D(norm sigma)=   0.1951395713
WmbejDD, D(norm sigma)=  -1.0647543903
WmnefDD XAF, D(norm sigma)=   0.0013461690
WmnefDD XLI, D(norm sigma)=   0.0000102919
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445 -0.081444176734185
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013  0.200869928057387
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891 -0.582532270785381
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122 -0.334208322200121
    4  -0.074591324481069  0.202331073886309 -0.580785983748476 -0.340605103856936  1.821768829972186
    5   0.053527355319533 -0.223619364875793  0.158631470043360 -0.361947509072286 -0.611885967037673
    6   0.056903653923060 -0.151965120951403  0.413968908840610  0.279946484717914 -0.721203990547225

                5                  6        

    0   0.067855071120301  0.055673376577258
    1  -0.219195745605276 -0.145756657905499
    2   0.161708595735560  0.412086579005314
    3  -0.359354800096856  0.271058566468779
    4  -0.611301562826420 -0.727169317884945
    5   1.572690393116130 -0.394055576779651
    6  -0.398361262930898  2.367916196317166
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0017374296228
Norm of residual vector 0  after precondition    0.0017374296228
                     1   0.4434169930  -9.20e-06    1.74e-03      N
Norm of residual vector af preconditioning    0.0008387364840
Norm of final new C in schmidt_add():    1.000000000000007
Iter=8    L=8   resetting norm
SigmaSS, D(norm sigma)=   0.6216838022
FSD    , D(norm sigma)=   0.0000565229
WamefSD, D(norm sigma)=  -0.0247753170
WmnieSD, D(norm sigma)=  -0.0306591997
WmaijDS, D(norm sigma)=   0.0465593659
WabejDS, D(norm sigma)=   0.0281652449
WnmjeDS, D(norm sigma)=  -0.0000332135
WbmfeDS, D(norm sigma)=  -0.0001933908
FDD_Fbe, D(norm sigma)=   0.9527087083
FDD_Fmj, D(norm sigma)=   1.1290988413
WmnijDD, D(norm sigma)=   0.5521983292
WabefDD, D(norm sigma)=   0.2397403553
WmbejDD, D(norm sigma)=  -0.9851763303
WmnefDD XAF, D(norm sigma)=   0.0017948302
WmnefDD XLI, D(norm sigma)=   0.0002841663
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445 -0.081444176734185
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013  0.200869928057387
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891 -0.582532270785381
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122 -0.334208322200121
    4  -0.074591324481069  0.202331073886309 -0.580785983748476 -0.340605103856936  1.821768829972186
    5   0.053527355319533 -0.223619364875793  0.158631470043360 -0.361947509072286 -0.611885967037673
    6   0.056903653923060 -0.151965120951403  0.413968908840610  0.279946484717914 -0.721203990547225
    7  -0.017736774453724  0.108555942699372  0.169852316422882  0.030990458356166 -0.022294632295535

                5                  6                  7        

    0   0.067855071120301  0.055673376577258 -0.030255185057705
    1  -0.219195745605276 -0.145756657905499  0.110455194326956
    2   0.161708595735560  0.412086579005314  0.177531613037134
    3  -0.359354800096856  0.271058566468779  0.038839854296489
    4  -0.611301562826420 -0.727169317884945 -0.021301411569609
    5   1.572690393116130 -0.394055576779651 -0.240401421944056
    6  -0.398361262930898  2.367916196317166 -0.164387546202515
    7  -0.244160182967767 -0.160863851782247  2.053669254341906
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0007166242333
Norm of residual vector 0  after precondition    0.0007166242333
                     1   0.4434223127   5.32e-06    7.17e-04      N
Norm of residual vector af preconditioning    0.0003632682600
Norm of final new C in schmidt_add():    0.999999999999993
Iter=9    L=9   resetting norm
SigmaSS, D(norm sigma)=   0.5785565177
FSD    , D(norm sigma)=  -0.0000489016
WamefSD, D(norm sigma)=  -0.0302052981
WmnieSD, D(norm sigma)=  -0.0562851426
WmaijDS, D(norm sigma)=   0.0681498872
WabejDS, D(norm sigma)=   0.0267455205
WnmjeDS, D(norm sigma)=  -0.0000584085
WbmfeDS, D(norm sigma)=   0.0002381774
FDD_Fbe, D(norm sigma)=   1.2431182831
FDD_Fmj, D(norm sigma)=   0.9833431532
WmnijDD, D(norm sigma)=   0.5024529627
WabefDD, D(norm sigma)=   0.2021396788
WmbejDD, D(norm sigma)=  -0.8789990168
WmnefDD XAF, D(norm sigma)=   0.0013284473
WmnefDD XLI, D(norm sigma)=   0.0000165037
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445 -0.081444176734185
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013  0.200869928057387
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891 -0.582532270785381
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122 -0.334208322200121
    4  -0.074591324481069  0.202331073886309 -0.580785983748476 -0.340605103856936  1.821768829972186
    5   0.053527355319533 -0.223619364875793  0.158631470043360 -0.361947509072286 -0.611885967037673
    6   0.056903653923060 -0.151965120951403  0.413968908840610  0.279946484717914 -0.721203990547225
    7  -0.017736774453724  0.108555942699372  0.169852316422882  0.030990458356166 -0.022294632295535
    8  -0.015441870352264  0.038885719675943 -0.106017249842859 -0.167601623618892  0.286167048953395

                5                  6                  7                  8        

    0   0.067855071120301  0.055673376577258 -0.030255185057705 -0.016636763658848
    1  -0.219195745605276 -0.145756657905499  0.110455194326956  0.042452696134014
    2   0.161708595735560  0.412086579005314  0.177531613037134 -0.104068553807518
    3  -0.359354800096856  0.271058566468779  0.038839854296489 -0.164442151751566
    4  -0.611301562826420 -0.727169317884945 -0.021301411569609  0.283288575115975
    5   1.572690393116130 -0.394055576779651 -0.240401421944056  0.122441756488590
    6  -0.398361262930898  2.367916196317166 -0.164387546202515 -0.646817393806512
    7  -0.244160182967767 -0.160863851782247  2.053669254341906 -0.372361655487951
    8   0.122767530049521 -0.642508695910333 -0.371217614307182  1.966191466146055
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0003057327250
Norm of residual vector 0  after precondition    0.0003057327250
                     1   0.4434233869   1.07e-06    3.06e-04      N
Norm of residual vector af preconditioning    0.0001819403140
Norm of final new C in schmidt_add():    0.999999999999996
Iter=10   L=10  resetting norm
SigmaSS, D(norm sigma)=   0.5580357883
FSD    , D(norm sigma)=  -0.0000062322
WamefSD, D(norm sigma)=  -0.0298902719
WmnieSD, D(norm sigma)=  -0.0069854580
WmaijDS, D(norm sigma)=   0.0759716865
WabejDS, D(norm sigma)=   0.0157254982
WnmjeDS, D(norm sigma)=  -0.0000348460
WbmfeDS, D(norm sigma)=  -0.0000177083
FDD_Fbe, D(norm sigma)=   0.9451616185
FDD_Fmj, D(norm sigma)=   1.0587213622
WmnijDD, D(norm sigma)=   0.4916939964
WabefDD, D(norm sigma)=   0.1850429479
WmbejDD, D(norm sigma)=  -0.8105440846
WmnefDD XAF, D(norm sigma)=   0.0017617920
WmnefDD XLI, D(norm sigma)=   0.0002166620
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445 -0.081444176734185
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013  0.200869928057387
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891 -0.582532270785381
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122 -0.334208322200121
    4  -0.074591324481069  0.202331073886309 -0.580785983748476 -0.340605103856936  1.821768829972186
    5   0.053527355319533 -0.223619364875793  0.158631470043360 -0.361947509072286 -0.611885967037673
    6   0.056903653923060 -0.151965120951403  0.413968908840610  0.279946484717914 -0.721203990547225
    7  -0.017736774453724  0.108555942699372  0.169852316422882  0.030990458356166 -0.022294632295535
    8  -0.015441870352264  0.038885719675943 -0.106017249842859 -0.167601623618892  0.286167048953395
    9  -0.026998323171131  0.113390704835965 -0.027301093528602  0.127460926113251 -0.038557295904671

                5                  6                  7                  8                  9        

    0   0.067855071120301  0.055673376577258 -0.030255185057705 -0.016636763658848 -0.036968618255143
    1  -0.219195745605276 -0.145756657905499  0.110455194326956  0.042452696134014  0.108996960056602
    2   0.161708595735560  0.412086579005314  0.177531613037134 -0.104068553807518 -0.026533680900681
    3  -0.359354800096856  0.271058566468779  0.038839854296489 -0.164442151751566  0.133937847566194
    4  -0.611301562826420 -0.727169317884945 -0.021301411569609  0.283288575115975 -0.040180711859004
    5   1.572690393116130 -0.394055576779651 -0.240401421944056  0.122441756488590 -0.186280072877454
    6  -0.398361262930898  2.367916196317166 -0.164387546202515 -0.646817393806512  0.114535347287426
    7  -0.244160182967767 -0.160863851782247  2.053669254341906 -0.372361655487951  0.524534020457912
    8   0.122767530049521 -0.642508695910333 -0.371217614307182  1.966191466146055  0.344436305906712
    9  -0.184948442667217  0.117200912063996  0.527461478171334  0.345182741238452  1.868164365942957
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001412183737
Norm of residual vector 0  after precondition    0.0001412183737
                     1   0.4434229580  -4.29e-07    1.41e-04      N
Norm of residual vector af preconditioning    0.0000913297219
Norm of final new C in schmidt_add():    0.999999999999988
Iter=11   L=11  resetting norm
SigmaSS, D(norm sigma)=   0.5640865922
FSD    , D(norm sigma)=  -0.0001844779
WamefSD, D(norm sigma)=  -0.0051517670
WmnieSD, D(norm sigma)=  -0.0431964718
WmaijDS, D(norm sigma)=   0.0841807949
WabejDS, D(norm sigma)=   0.0132683340
WnmjeDS, D(norm sigma)=  -0.0000329214
WbmfeDS, D(norm sigma)=  -0.0001725638
FDD_Fbe, D(norm sigma)=   1.3470524113
FDD_Fmj, D(norm sigma)=   1.0227352499
WmnijDD, D(norm sigma)=   0.4839917161
WabefDD, D(norm sigma)=   0.1992967620
WmbejDD, D(norm sigma)=  -0.9101706526
WmnefDD XAF, D(norm sigma)=   0.0017243883
WmnefDD XLI, D(norm sigma)=   0.0000502813
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445 -0.081444176734185
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013  0.200869928057387
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891 -0.582532270785381
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122 -0.334208322200121
    4  -0.074591324481069  0.202331073886309 -0.580785983748476 -0.340605103856936  1.821768829972186
    5   0.053527355319533 -0.223619364875793  0.158631470043360 -0.361947509072286 -0.611885967037673
    6   0.056903653923060 -0.151965120951403  0.413968908840610  0.279946484717914 -0.721203990547225
    7  -0.017736774453724  0.108555942699372  0.169852316422882  0.030990458356166 -0.022294632295535
    8  -0.015441870352264  0.038885719675943 -0.106017249842859 -0.167601623618892  0.286167048953395
    9  -0.026998323171131  0.113390704835965 -0.027301093528602  0.127460926113251 -0.038557295904671
   10   0.026970561310729 -0.061117208536304  0.318653243702963 -0.159691837791294 -0.099254947958021

                5                  6                  7                  8                  9        

    0   0.067855071120301  0.055673376577258 -0.030255185057705 -0.016636763658848 -0.036968618255143
    1  -0.219195745605276 -0.145756657905499  0.110455194326956  0.042452696134014  0.108996960056602
    2   0.161708595735560  0.412086579005314  0.177531613037134 -0.104068553807518 -0.026533680900681
    3  -0.359354800096856  0.271058566468779  0.038839854296489 -0.164442151751566  0.133937847566194
    4  -0.611301562826420 -0.727169317884945 -0.021301411569609  0.283288575115975 -0.040180711859004
    5   1.572690393116130 -0.394055576779651 -0.240401421944056  0.122441756488590 -0.186280072877454
    6  -0.398361262930898  2.367916196317166 -0.164387546202515 -0.646817393806512  0.114535347287426
    7  -0.244160182967767 -0.160863851782247  2.053669254341906 -0.372361655487951  0.524534020457912
    8   0.122767530049521 -0.642508695910333 -0.371217614307182  1.966191466146055  0.344436305906712
    9  -0.184948442667217  0.117200912063996  0.527461478171334  0.345182741238452  1.868164365942957
   10  -0.100536290404554  0.414416987879194  0.195684860737407 -0.644562182384389  0.498884581611891

               10        

    0   0.028847263362232
    1  -0.062177377547158
    2   0.328491794158048
    3  -0.163313155826199
    4  -0.088708078003895
    5  -0.103542511002309
    6   0.415649587812067
    7   0.197511306582422
    8  -0.646589491055057
    9   0.498138319214212
   10   1.996507126082868
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000899002704
Norm of residual vector 0  after precondition    0.0000899002704
                     1   0.4434229815   2.35e-08    8.99e-05      N
Norm of residual vector af preconditioning    0.0000535902618
Norm of final new C in schmidt_add():    0.999999999999991
Iter=12   L=12  resetting norm
SigmaSS, D(norm sigma)=   0.6230288411
FSD    , D(norm sigma)=  -0.0000763797
WamefSD, D(norm sigma)=  -0.0184585859
WmnieSD, D(norm sigma)=  -0.0272279454
WmaijDS, D(norm sigma)=   0.0741713539
WabejDS, D(norm sigma)=   0.0204103312
WnmjeDS, D(norm sigma)=   0.0000069431
WbmfeDS, D(norm sigma)=  -0.0001036500
FDD_Fbe, D(norm sigma)=   0.9871907529
FDD_Fmj, D(norm sigma)=   1.1369096386
WmnijDD, D(norm sigma)=   0.4704023593
WabefDD, D(norm sigma)=   0.1889879521
WmbejDD, D(norm sigma)=  -0.8129773157
WmnefDD XAF, D(norm sigma)=   0.0020799739
WmnefDD XLI, D(norm sigma)=   0.0002056570
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.562536154734051 -0.480657833124694  0.109352036884627 -0.056004279893445 -0.081444176734185
    1  -0.418297688723273  2.183037965640998 -0.134037370596108  0.199618412697013  0.200869928057387
    2   0.097650569560806 -0.119181962249385  1.985588125413840 -0.308597936172891 -0.582532270785381
    3  -0.042380166795410  0.205191262050057 -0.299930118299469  1.786917765272122 -0.334208322200121
    4  -0.074591324481069  0.202331073886309 -0.580785983748476 -0.340605103856936  1.821768829972186
    5   0.053527355319533 -0.223619364875793  0.158631470043360 -0.361947509072286 -0.611885967037673
    6   0.056903653923060 -0.151965120951403  0.413968908840610  0.279946484717914 -0.721203990547225
    7  -0.017736774453724  0.108555942699372  0.169852316422882  0.030990458356166 -0.022294632295535
    8  -0.015441870352264  0.038885719675943 -0.106017249842859 -0.167601623618892  0.286167048953395
    9  -0.026998323171131  0.113390704835965 -0.027301093528602  0.127460926113251 -0.038557295904671
   10   0.026970561310729 -0.061117208536304  0.318653243702963 -0.159691837791294 -0.099254947958021
   11  -0.021479086605534  0.077893509935428 -0.088203415881403  0.049400452710559  0.153395059613042

                5                  6                  7                  8                  9        

    0   0.067855071120301  0.055673376577258 -0.030255185057705 -0.016636763658848 -0.036968618255143
    1  -0.219195745605276 -0.145756657905499  0.110455194326956  0.042452696134014  0.108996960056602
    2   0.161708595735560  0.412086579005314  0.177531613037134 -0.104068553807518 -0.026533680900681
    3  -0.359354800096856  0.271058566468779  0.038839854296489 -0.164442151751566  0.133937847566194
    4  -0.611301562826420 -0.727169317884945 -0.021301411569609  0.283288575115975 -0.040180711859004
    5   1.572690393116130 -0.394055576779651 -0.240401421944056  0.122441756488590 -0.186280072877454
    6  -0.398361262930898  2.367916196317166 -0.164387546202515 -0.646817393806512  0.114535347287426
    7  -0.244160182967767 -0.160863851782247  2.053669254341906 -0.372361655487951  0.524534020457912
    8   0.122767530049521 -0.642508695910333 -0.371217614307182  1.966191466146055  0.344436305906712
    9  -0.184948442667217  0.117200912063996  0.527461478171334  0.345182741238452  1.868164365942957
   10  -0.100536290404554  0.414416987879194  0.195684860737407 -0.644562182384389  0.498884581611891
   11  -0.187157291621314 -0.028280387825179  0.237230714057122  0.166598275539307  0.386089923245285

               10                 11        

    0   0.028847263362232 -0.028724607399351
    1  -0.062177377547158  0.074425849966062
    2   0.328491794158048 -0.086910710855921
    3  -0.163313155826199  0.039969064622968
    4  -0.088708078003895  0.153985752525630
    5  -0.103542511002309 -0.195549510891650
    6   0.415649587812067 -0.028449188470945
    7   0.197511306582422  0.238339473285461
    8  -0.646589491055057  0.164918652394550
    9   0.498138319214212  0.385204594748511
   10   1.996507126082868 -0.636776285131440
   11  -0.637529246082568  1.911667645191566
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000574200618
Norm of residual vector 0  after precondition    0.0000574200618
                     1   0.4434231943   2.13e-07    5.74e-05      N
Norm of residual vector af preconditioning    0.0000335431124
Norm of final new C in schmidt_add():    1.000000000000010
alpha

           1           2           3           4           5           6           7           8           9          10

    1  -0.9709132   0.0237883  -0.0251152   0.0413804  -0.0701602  -0.0388100   0.0077943  -0.1980913  -0.0861911  -0.0462593
    2  -0.2322690   0.0089014   0.0106539  -0.0467968   0.1489611   0.2030321  -0.0204077   0.7844647   0.2684438   0.1462471
    3   0.0511265   0.0991147  -0.1978199   0.3628366  -0.4776757   0.4445028   0.0531525   0.3182610  -0.3317194  -0.2348932
    4   0.0215564   0.3170370   0.0070732   0.3943255  -0.3791229  -0.5317796  -0.0168162   0.0429091   0.0192286   0.4825081
    5   0.0142522   0.5737168  -0.2751897   0.0894850  -0.1024613   0.3504074  -0.0410307  -0.3142204   0.3629183  -0.1743214
    6   0.0089690   0.5928861  -0.1265780  -0.0032934   0.4423634  -0.3181093   0.0888185   0.2881207  -0.1951892  -0.1692069
    7   0.0037568   0.3417171  -0.0022906  -0.4439564   0.1121216   0.3047011  -0.2343283  -0.1405788  -0.0722641   0.4274409
    8   0.0013349   0.1841709   0.1715376  -0.4207748  -0.2249846  -0.1750581   0.5185017  -0.0033657  -0.2116950  -0.3771054
    9   0.0006970   0.1568127   0.4370186  -0.2594401  -0.3330407   0.0085331  -0.5451129   0.1154611  -0.3200096  -0.0525401
   10  -0.0003857  -0.1322863  -0.5214582   0.0267627   0.1766697  -0.2156434  -0.4952170  -0.0300549  -0.3333106  -0.2674239
   11   0.0002193   0.1111003   0.5239931   0.3191092   0.1546653  -0.0714895  -0.2987971  -0.0345349   0.3259820  -0.4381461
   12   0.0000934   0.0568425   0.3184628   0.3961458   0.4068872   0.2788314   0.1772603  -0.1590434  -0.5200863   0.1957085

          11          12

    1   0.1123284  -0.0539602
    2  -0.3771788   0.1427376
    3   0.1544597  -0.3357885
    4  -0.2505599  -0.0706450
    5  -0.1949228   0.3925293
    6   0.4230418   0.0014810
    7  -0.0974812  -0.5603749
    8  -0.4640122  -0.0908846
    9   0.1151980   0.4178672
   10  -0.4488805  -0.0451151
   11  -0.1413153  -0.4092470
   12  -0.2863160   0.1961549
alpha_old

           1           2           3           4           5           6           7           8           9          10

    1  -0.9709123   0.0272001  -0.0220358   0.0632114   0.0458910  -0.0702324  -0.1678434  -0.0859138  -0.0766122   0.1318570
    2  -0.2322705   0.0076945   0.0159273  -0.0990910  -0.0888565   0.2845342   0.6651695   0.3605364   0.2426922  -0.4379805
    3   0.0511427   0.1218862  -0.2347128   0.4734523   0.5010793   0.1981363   0.2970678   0.2489171  -0.3335067   0.2273114
    4   0.0215408   0.3120648   0.0144854   0.5798501  -0.1578873  -0.3402443  -0.2280151   0.2886195   0.4794096  -0.2174333
    5   0.0142649   0.6037039  -0.1992963   0.0807968   0.2333315   0.2287919  -0.0376303  -0.4837036  -0.0500143  -0.3003076
    6   0.0089571   0.6020221  -0.0789584  -0.2008424  -0.4873555  -0.1582322   0.1924527   0.2225343  -0.2306106   0.4284880
    7   0.0037523   0.3417454   0.1297448  -0.4560564   0.2338666   0.2905373  -0.1892541   0.0164906   0.3767268   0.0195418
    8   0.0013204   0.1650957   0.3212569  -0.2195785   0.2886857  -0.5839185   0.0759473   0.0892134  -0.4084343  -0.4384514
    9   0.0006473   0.1028474   0.5567719   0.0438554   0.1698029   0.3404799  -0.3344992   0.4568610  -0.1371319   0.1129835
   10  -0.0003126  -0.0632571  -0.5322908  -0.1347535  -0.2049379   0.1930682  -0.4435133   0.3668011  -0.3358816  -0.4023535
   11   0.0001349   0.0380221   0.4296967   0.3203940  -0.4616981   0.3211319   0.0224717  -0.2870274  -0.3132489  -0.2253386

          11

    1  -0.0497801
    2   0.1284025
    3  -0.3381345
    4  -0.0938459
    5   0.3955685
    6   0.0346105
    7  -0.5895278
    8  -0.1351747
    9   0.4216076
   10  -0.0953794
   11  -0.3841290
alpha_tot

           1           2           3           4           5           6           7           8           9          10

    1  -0.9709132  -0.9709123   0.0237883  -0.0251152   0.0413804  -0.0701602  -0.0388100   0.0077943  -0.1980913  -0.0861911
    2  -0.2322690  -0.2322705   0.0089014   0.0106539  -0.0467968   0.1489611   0.2030321  -0.0204077   0.7844647   0.2684438
    3   0.0511265   0.0511427   0.0991147  -0.1978199   0.3628366  -0.4776757   0.4445028   0.0531525   0.3182610  -0.3317194
    4   0.0215564   0.0215408   0.3170370   0.0070732   0.3943255  -0.3791229  -0.5317796  -0.0168162   0.0429091   0.0192286
    5   0.0142522   0.0142649   0.5737168  -0.2751897   0.0894850  -0.1024613   0.3504074  -0.0410307  -0.3142204   0.3629183
    6   0.0089690   0.0089571   0.5928861  -0.1265780  -0.0032934   0.4423634  -0.3181093   0.0888185   0.2881207  -0.1951892
    7   0.0037568   0.0037523   0.3417171  -0.0022906  -0.4439564   0.1121216   0.3047011  -0.2343283  -0.1405788  -0.0722641
    8   0.0013349   0.0013204   0.1841709   0.1715376  -0.4207748  -0.2249846  -0.1750581   0.5185017  -0.0033657  -0.2116950
    9   0.0006970   0.0006473   0.1568127   0.4370186  -0.2594401  -0.3330407   0.0085331  -0.5451129   0.1154611  -0.3200096
   10  -0.0003857  -0.0003126  -0.1322863  -0.5214582   0.0267627   0.1766697  -0.2156434  -0.4952170  -0.0300549  -0.3333106
   11   0.0002193   0.0001349   0.1111003   0.5239931   0.3191092   0.1546653  -0.0714895  -0.2987971  -0.0345349   0.3259820
   12   0.0000934   0.0000000   0.0568425   0.3184628   0.3961458   0.4068872   0.2788314   0.1772603  -0.1590434  -0.5200863

          11          12          13          14          15          16          17          18          19          20

    1  -0.0462593   0.1123284  -0.0539602   0.0272001  -0.0220358   0.0632114   0.0458910  -0.0702324  -0.1678434  -0.0859138
    2   0.1462471  -0.3771788   0.1427376   0.0076945   0.0159273  -0.0990910  -0.0888565   0.2845342   0.6651695   0.3605364
    3  -0.2348932   0.1544597  -0.3357885   0.1218862  -0.2347128   0.4734523   0.5010793   0.1981363   0.2970678   0.2489171
    4   0.4825081  -0.2505599  -0.0706450   0.3120648   0.0144854   0.5798501  -0.1578873  -0.3402443  -0.2280151   0.2886195
    5  -0.1743214  -0.1949228   0.3925293   0.6037039  -0.1992963   0.0807968   0.2333315   0.2287919  -0.0376303  -0.4837036
    6  -0.1692069   0.4230418   0.0014810   0.6020221  -0.0789584  -0.2008424  -0.4873555  -0.1582322   0.1924527   0.2225343
    7   0.4274409  -0.0974812  -0.5603749   0.3417454   0.1297448  -0.4560564   0.2338666   0.2905373  -0.1892541   0.0164906
    8  -0.3771054  -0.4640122  -0.0908846   0.1650957   0.3212569  -0.2195785   0.2886857  -0.5839185   0.0759473   0.0892134
    9  -0.0525401   0.1151980   0.4178672   0.1028474   0.5567719   0.0438554   0.1698029   0.3404799  -0.3344992   0.4568610
   10  -0.2674239  -0.4488805  -0.0451151  -0.0632571  -0.5322908  -0.1347535  -0.2049379   0.1930682  -0.4435133   0.3668011
   11  -0.4381461  -0.1413153  -0.4092470   0.0380221   0.4296967   0.3203940  -0.4616981   0.3211319   0.0224717  -0.2870274
   12   0.1957085  -0.2863160   0.1961549   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

          21          22          23

    1  -0.0766122   0.1318570  -0.0497801
    2   0.2426922  -0.4379805   0.1284025
    3  -0.3335067   0.2273114  -0.3381345
    4   0.4794096  -0.2174333  -0.0938459
    5  -0.0500143  -0.3003076   0.3955685
    6  -0.2306106   0.4284880   0.0346105
    7   0.3767268   0.0195418  -0.5895278
    8  -0.4084343  -0.4384514  -0.1351747
    9  -0.1371319   0.1129835   0.4216076
   10  -0.3358816  -0.4023535  -0.0953794
   11  -0.3132489  -0.2253386  -0.3841290
   12   0.0000000   0.0000000   0.0000000
Iter=13   L=2   The G Matrix

                0                  1        

    0   0.443423194321348 -0.001392320655688
    1  -0.000000000000032  0.688611717760340
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000574200617
Norm of residual vector 0  after precondition    0.0000574200617
                     1   0.4434231943  -9.99e-16    5.74e-05      N
Norm of residual vector af preconditioning    0.0000335431124
Norm of final new C in schmidt_add():    1.000000000000001
Iter=14   L=3   resetting norm
SigmaSS, D(norm sigma)=   0.6141635655
FSD    , D(norm sigma)=  -0.0000027415
WamefSD, D(norm sigma)=  -0.0171888208
WmnieSD, D(norm sigma)=   0.0009204972
WmaijDS, D(norm sigma)=   0.0798345317
WabejDS, D(norm sigma)=   0.0278644325
WnmjeDS, D(norm sigma)=  -0.0000179945
WbmfeDS, D(norm sigma)=   0.0000735021
FDD_Fbe, D(norm sigma)=   0.6039303326
FDD_Fmj, D(norm sigma)=   0.9103712697
WmnijDD, D(norm sigma)=   0.4906132458
WabefDD, D(norm sigma)=   0.2001636865
WmbejDD, D(norm sigma)=  -0.7027253696
WmnefDD XAF, D(norm sigma)=   0.0014817729
WmnefDD XLI, D(norm sigma)=   0.0002247971
resetting norm
The G Matrix

                0                  1                  2        

    0   0.443423194321348 -0.001392320655688  0.003236306017463
    1  -0.000000000000032  0.688611717760340 -0.352732665444477
    2   0.000041579132889 -0.354550867885565  1.715680136282807
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000342786514
Norm of residual vector 0  after precondition    0.0000342786514
                     1   0.4434231270  -6.73e-08    3.43e-05      N
Norm of residual vector af preconditioning    0.0000184520574
Norm of final new C in schmidt_add():    1.000000000000012
Iter=15   L=4   resetting norm
SigmaSS, D(norm sigma)=   0.6682219427
FSD    , D(norm sigma)=  -0.0001919257
WamefSD, D(norm sigma)=  -0.0096788830
WmnieSD, D(norm sigma)=  -0.0451102335
WmaijDS, D(norm sigma)=   0.0979918217
WabejDS, D(norm sigma)=   0.0233258135
WnmjeDS, D(norm sigma)=   0.0000596892
WbmfeDS, D(norm sigma)=  -0.0001355385
FDD_Fbe, D(norm sigma)=   0.5665718289
FDD_Fmj, D(norm sigma)=   0.9033407891
WmnijDD, D(norm sigma)=   0.4643086370
WabefDD, D(norm sigma)=   0.1923938843
WmbejDD, D(norm sigma)=  -0.7071999718
WmnefDD XAF, D(norm sigma)=   0.0014796141
WmnefDD XLI, D(norm sigma)=   0.0000213308
resetting norm
The G Matrix

                0                  1                  2                  3        

    0   0.443423194321348 -0.001392320655688  0.003236306017463 -0.000843140711247
    1  -0.000000000000032  0.688611717760340 -0.352732665444477  0.002986442375020
    2   0.000041579132889 -0.354550867885565  1.715680136282807  0.553261155059482
    3   0.000006427402354  0.001420623993286  0.553540876680640  1.601216381232250
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000196984996
Norm of residual vector 0  after precondition    0.0000196984996
                     1   0.4434230721  -5.49e-08    1.97e-05      N
Norm of residual vector af preconditioning    0.0000113248490
Norm of final new C in schmidt_add():    1.000000000000001
Iter=16   L=5   resetting norm
SigmaSS, D(norm sigma)=   0.5798243841
FSD    , D(norm sigma)=  -0.0001531019
WamefSD, D(norm sigma)=  -0.0040221701
WmnieSD, D(norm sigma)=  -0.0240542816
WmaijDS, D(norm sigma)=   0.0926924259
WabejDS, D(norm sigma)=   0.0057188263
WnmjeDS, D(norm sigma)=   0.0000252449
WbmfeDS, D(norm sigma)=  -0.0004261615
FDD_Fbe, D(norm sigma)=   0.8316560248
FDD_Fmj, D(norm sigma)=   1.0191578050
WmnijDD, D(norm sigma)=   0.4448451085
WabefDD, D(norm sigma)=   0.1819650265
WmbejDD, D(norm sigma)=  -0.7453550542
WmnefDD XAF, D(norm sigma)=   0.0007107593
WmnefDD XLI, D(norm sigma)=   0.0000279375
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.443423194321348 -0.001392320655688  0.003236306017463 -0.000843140711247  0.001524369050595
    1  -0.000000000000032  0.688611717760340 -0.352732665444477  0.002986442375020 -0.101260628967591
    2   0.000041579132889 -0.354550867885565  1.715680136282807  0.553261155059482  0.191573643767944
    3   0.000006427402354  0.001420623993286  0.553540876680640  1.601216381232250 -0.589510712751606
    4   0.000009362428871 -0.100624047319745  0.193108032490336 -0.587230157783911  1.654152705826565
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000114712854
Norm of residual vector 0  after precondition    0.0000114712854
                     1   0.4434230610  -1.11e-08    1.15e-05      N
Norm of residual vector af preconditioning    0.0000068666567
Norm of final new C in schmidt_add():    0.999999999999998
Iter=17   L=6   resetting norm
SigmaSS, D(norm sigma)=   0.5955706515
FSD    , D(norm sigma)=  -0.0001713279
WamefSD, D(norm sigma)=  -0.0078919345
WmnieSD, D(norm sigma)=  -0.0362274262
WmaijDS, D(norm sigma)=   0.0678478815
WabejDS, D(norm sigma)=   0.0078472052
WnmjeDS, D(norm sigma)=  -0.0000367269
WbmfeDS, D(norm sigma)=  -0.0000545787
FDD_Fbe, D(norm sigma)=   1.0923456762
FDD_Fmj, D(norm sigma)=   1.1227920717
WmnijDD, D(norm sigma)=   0.5143405304
WabefDD, D(norm sigma)=   0.2130440845
WmbejDD, D(norm sigma)=  -0.8464618468
WmnefDD XAF, D(norm sigma)=   0.0017731939
WmnefDD XLI, D(norm sigma)=   0.0000275956
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.443423194321348 -0.001392320655688  0.003236306017463 -0.000843140711247  0.001524369050595
    1  -0.000000000000032  0.688611717760340 -0.352732665444477  0.002986442375020 -0.101260628967591
    2   0.000041579132889 -0.354550867885565  1.715680136282807  0.553261155059482  0.191573643767944
    3   0.000006427402354  0.001420623993286  0.553540876680640  1.601216381232250 -0.589510712751606
    4   0.000009362428871 -0.100624047319745  0.193108032490336 -0.587230157783911  1.654152705826565
    5  -0.000008509770637  0.035765496844540 -0.317282001634539 -0.197409881937750 -0.745769097329774

                5        

    0   0.000667037491752
    1   0.037306640892122
    2  -0.318900550530725
    3  -0.198604105742353
    4  -0.751285314484835
    5   2.065578509530142
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000072923120
Norm of residual vector 0  after precondition    0.0000072923120
                     1   0.4434230689   7.90e-09    7.29e-06      N
Norm of residual vector af preconditioning    0.0000041214875
Norm of final new C in schmidt_add():    0.999999999999996
Iter=18   L=7   resetting norm
SigmaSS, D(norm sigma)=   0.6063336910
FSD    , D(norm sigma)=   0.0000591547
WamefSD, D(norm sigma)=  -0.0042398670
WmnieSD, D(norm sigma)=  -0.0339013019
WmaijDS, D(norm sigma)=   0.0519572750
WabejDS, D(norm sigma)=   0.0087720434
WnmjeDS, D(norm sigma)=  -0.0000359016
WbmfeDS, D(norm sigma)=  -0.0000177390
FDD_Fbe, D(norm sigma)=   1.2369794480
FDD_Fmj, D(norm sigma)=   1.3078688829
WmnijDD, D(norm sigma)=   0.5202256942
WabefDD, D(norm sigma)=   0.2140851282
WmbejDD, D(norm sigma)=  -1.0307849422
WmnefDD XAF, D(norm sigma)=   0.0012316620
WmnefDD XLI, D(norm sigma)=   0.0001455359
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.443423194321348 -0.001392320655688  0.003236306017463 -0.000843140711247  0.001524369050595
    1  -0.000000000000032  0.688611717760340 -0.352732665444477  0.002986442375020 -0.101260628967591
    2   0.000041579132889 -0.354550867885565  1.715680136282807  0.553261155059482  0.191573643767944
    3   0.000006427402354  0.001420623993286  0.553540876680640  1.601216381232250 -0.589510712751606
    4   0.000009362428871 -0.100624047319745  0.193108032490336 -0.587230157783911  1.654152705826565
    5  -0.000008509770637  0.035765496844540 -0.317282001634539 -0.197409881937750 -0.745769097329774
    6  -0.000008198167559  0.068693401701476 -0.204273826021403  0.188178354379546 -0.427160571964477

                5                  6        

    0   0.000667037491752 -0.002366291828024
    1   0.037306640892122  0.069069240006152
    2  -0.318900550530725 -0.205632645141547
    3  -0.198604105742353  0.192559757387159
    4  -0.751285314484835 -0.425872318620262
    5   2.065578509530142 -0.436569283892895
    6  -0.442745373048759  2.181430798509487
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000033484000
Norm of residual vector 0  after precondition    0.0000033484000
                     1   0.4434230649  -4.06e-09    3.35e-06      N
Norm of residual vector af preconditioning    0.0000015206862
Norm of final new C in schmidt_add():    0.999999999999994
Iter=19   L=8   resetting norm
SigmaSS, D(norm sigma)=   0.5647451046
FSD    , D(norm sigma)=   0.0001025280
WamefSD, D(norm sigma)=  -0.0007974022
WmnieSD, D(norm sigma)=   0.0054306778
WmaijDS, D(norm sigma)=   0.0559396008
WabejDS, D(norm sigma)=   0.0074986399
WnmjeDS, D(norm sigma)=  -0.0000527524
WbmfeDS, D(norm sigma)=  -0.0001261945
FDD_Fbe, D(norm sigma)=   1.2800390917
FDD_Fmj, D(norm sigma)=   1.1636397026
WmnijDD, D(norm sigma)=   0.5078502505
WabefDD, D(norm sigma)=   0.2053657232
WmbejDD, D(norm sigma)=  -0.9381238254
WmnefDD XAF, D(norm sigma)=   0.0017168670
WmnefDD XLI, D(norm sigma)=   0.0000329064
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.443423194321348 -0.001392320655688  0.003236306017463 -0.000843140711247  0.001524369050595
    1  -0.000000000000032  0.688611717760340 -0.352732665444477  0.002986442375020 -0.101260628967591
    2   0.000041579132889 -0.354550867885565  1.715680136282807  0.553261155059482  0.191573643767944
    3   0.000006427402354  0.001420623993286  0.553540876680640  1.601216381232250 -0.589510712751606
    4   0.000009362428871 -0.100624047319745  0.193108032490336 -0.587230157783911  1.654152705826565
    5  -0.000008509770637  0.035765496844540 -0.317282001634539 -0.197409881937750 -0.745769097329774
    6  -0.000008198167559  0.068693401701476 -0.204273826021403  0.188178354379546 -0.427160571964477
    7   0.000003363826486 -0.016009097457128  0.165280026260533  0.169516920550626  0.193850296132082

                5                  6                  7        

    0   0.000667037491752 -0.002366291828024 -0.007889386036814
    1   0.037306640892122  0.069069240006152 -0.016958512763478
    2  -0.318900550530725 -0.205632645141547  0.167938915691041
    3  -0.198604105742353  0.192559757387159  0.164529063991013
    4  -0.751285314484835 -0.425872318620262  0.186210593215437
    5   2.065578509530142 -0.436569283892895 -0.485559617789473
    6  -0.442745373048759  2.181430798509487 -0.402859280880938
    7  -0.481580187949982 -0.402867131580361  2.167653438729865
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000011848356
Norm of residual vector 0  after precondition    0.0000011848356
                     1   0.4434230491  -1.58e-08    1.18e-06      N
Norm of residual vector af preconditioning    0.0000005886676
Norm of final new C in schmidt_add():    1.000000000000001
Iter=20   L=9   resetting norm
SigmaSS, D(norm sigma)=   0.5800760686
FSD    , D(norm sigma)=   0.0000191654
WamefSD, D(norm sigma)=   0.0029960666
WmnieSD, D(norm sigma)=  -0.0099167911
WmaijDS, D(norm sigma)=   0.0534873690
WabejDS, D(norm sigma)=   0.0066927645
WnmjeDS, D(norm sigma)=  -0.0000480120
WbmfeDS, D(norm sigma)=  -0.0001085329
FDD_Fbe, D(norm sigma)=   1.1617703642
FDD_Fmj, D(norm sigma)=   1.2598916708
WmnijDD, D(norm sigma)=   0.5054200034
WabefDD, D(norm sigma)=   0.1902267045
WmbejDD, D(norm sigma)=  -0.9345941010
WmnefDD XAF, D(norm sigma)=   0.0041873578
WmnefDD XLI, D(norm sigma)=   0.0002123872
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.443423194321348 -0.001392320655688  0.003236306017463 -0.000843140711247  0.001524369050595
    1  -0.000000000000032  0.688611717760340 -0.352732665444477  0.002986442375020 -0.101260628967591
    2   0.000041579132889 -0.354550867885565  1.715680136282807  0.553261155059482  0.191573643767944
    3   0.000006427402354  0.001420623993286  0.553540876680640  1.601216381232250 -0.589510712751606
    4   0.000009362428871 -0.100624047319745  0.193108032490336 -0.587230157783911  1.654152705826565
    5  -0.000008509770637  0.035765496844540 -0.317282001634539 -0.197409881937750 -0.745769097329774
    6  -0.000008198167559  0.068693401701476 -0.204273826021403  0.188178354379546 -0.427160571964477
    7   0.000003363826486 -0.016009097457128  0.165280026260533  0.169516920550626  0.193850296132082
    8   0.000002350038644 -0.026338226774526  0.051887012293888 -0.081471580149884  0.152127263199980

                5                  6                  7                  8        

    0   0.000667037491752 -0.002366291828024 -0.007889386036814  0.017584981873035
    1   0.037306640892122  0.069069240006152 -0.016958512763478 -0.023579570556819
    2  -0.318900550530725 -0.205632645141547  0.167938915691041  0.051902355984825
    3  -0.198604105742353  0.192559757387159  0.164529063991013 -0.071711966520153
    4  -0.751285314484835 -0.425872318620262  0.186210593215437  0.163640905626747
    5   2.065578509530142 -0.436569283892895 -0.485559617789473  0.099684632374792
    6  -0.442745373048759  2.181430798509487 -0.402859280880938 -0.508570031924488
    7  -0.481580187949982 -0.402867131580361  2.167653438729865 -0.470274571399073
    8   0.092989600115705 -0.512806659407615 -0.466657617655309  2.136731328709981
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000004560838
Norm of residual vector 0  after precondition    0.0000004560838
                     1   0.4434230584   9.26e-09    4.56e-07      Y
Collapsing to only 1 vector(s).
alpha

           1           2           3           4           5           6           7           8           9

    1   1.0000000   0.0025890   0.0003800   0.0057695   0.0032312  -0.0071931   0.0018402   0.0046388  -0.0027039
    2  -0.0001272   0.5754407   0.6923269  -0.3292659   0.2425969   0.1107860   0.0518438  -0.0534928  -0.0706400
    3  -0.0000966   0.3675912   0.1765517   0.3289501  -0.5173739  -0.5017337  -0.3312139   0.0713470   0.3085748
    4   0.0000638  -0.4618845   0.1910889  -0.4517060   0.2064620  -0.4295110  -0.4841086  -0.2691947   0.1173320
    5   0.0000417  -0.4708012   0.4751655  -0.0757167  -0.2743652   0.0332887   0.4443121   0.3772363   0.3606328
    6   0.0000187  -0.2760373   0.3870952   0.3059956  -0.2274485   0.2690809  -0.4048575   0.0965419  -0.6154865
    7   0.0000072  -0.1396132   0.2490930   0.4739313   0.1069534  -0.1945165   0.3864717  -0.7023511  -0.0377241
    8   0.0000023  -0.0497985   0.1080762   0.4107091   0.4315832   0.4232340  -0.3621961   0.0383929   0.5667736
    9   0.0000007  -0.0240529   0.0603753   0.2943553   0.5532828  -0.5108639   0.1066574   0.5226493  -0.2334148
alpha_old

           1           2           3           4           5           6           7           8

    1   1.0000000   0.0070542  -0.0058223  -0.0016614   0.0061357   0.0005144  -0.0007095   0.0008373
    2  -0.0001272   0.5880603   0.6910603  -0.3576654  -0.2026723   0.0697491   0.0015341   0.0849740
    3  -0.0000966   0.3729291   0.1643295   0.4321722   0.5821600  -0.4207360   0.1629418  -0.3270054
    4   0.0000637  -0.4617569   0.2139534  -0.4934864   0.0499128  -0.5721253   0.4106475  -0.0458636
    5   0.0000415  -0.4633331   0.4942545   0.0134793   0.2815825   0.4531737  -0.2185642  -0.4562200
    6   0.0000184  -0.2651156   0.3856288   0.3871014  -0.0200876  -0.3290153  -0.4317795   0.5758525
    7   0.0000068  -0.1244066   0.2240329   0.4370880  -0.1569706   0.3130717   0.7509591   0.2314236
    8   0.0000019  -0.0374019   0.0802105   0.3173263  -0.7163468  -0.2813491  -0.0816849  -0.5389277
alpha_tot

           1           2           3           4           5           6           7           8           9

    1   1.0000000   0.0025890   0.0003800   0.0057695   0.0032312  -0.0071931   0.0018402   0.0046388  -0.0027039
    2  -0.0001272   0.5754407   0.6923269  -0.3292659   0.2425969   0.1107860   0.0518438  -0.0534928  -0.0706400
    3  -0.0000966   0.3675912   0.1765517   0.3289501  -0.5173739  -0.5017337  -0.3312139   0.0713470   0.3085748
    4   0.0000638  -0.4618845   0.1910889  -0.4517060   0.2064620  -0.4295110  -0.4841086  -0.2691947   0.1173320
    5   0.0000417  -0.4708012   0.4751655  -0.0757167  -0.2743652   0.0332887   0.4443121   0.3772363   0.3606328
    6   0.0000187  -0.2760373   0.3870952   0.3059956  -0.2274485   0.2690809  -0.4048575   0.0965419  -0.6154865
    7   0.0000072  -0.1396132   0.2490930   0.4739313   0.1069534  -0.1945165   0.3864717  -0.7023511  -0.0377241
    8   0.0000023  -0.0497985   0.1080762   0.4107091   0.4315832   0.4232340  -0.3621961   0.0383929   0.5667736
    9   0.0000007  -0.0240529   0.0603753   0.2943553   0.5532828  -0.5108639   0.1066574   0.5226493  -0.2334148

Procedure converged for 1 root(s).
Energy written to chkpt:Etot  -75.8981907490
EOM CCSD R0 for root 0 =   0.00000000000
Norm with produced ROHF-like quantities =    1.0000000000

	DPD File2: RIA 3 0
	DPD Parameters:
	------------------
	pnum = 0   qnum = 1   irrep = 3 
	Irreps = 4

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     3	col =    26
	   Irrep: 1 row =     0	col =    17
	   Irrep: 2 row =     1	col =    12
	   Irrep: 3 row =     1	col =    32

	File 122 DPD File2: RIA 3 0
	Matrix for Irrep 0
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 61)              ( 62)              ( 63)              ( 64)              ( 65)              ( 66)              ( 67)              ( 68)              ( 69)    

    0  (  0)  0.000178121663504 -0.000125758702959 -0.000083717920510  0.000008687158138 -0.000110823014742  0.000034428298083  0.000023050998766  0.000050756063959 -0.000109896539134
    1  (  1)  0.017478378212269 -0.008086719631866  0.004109414745405  0.001827208030699 -0.001129003482206 -0.000984611619828 -0.001029102922961  0.000538322770047 -0.000864544926029
    2  (  2)  0.591186862818508 -0.309888747723699 -0.112167048328560  0.018153875710505 -0.102375807339555  0.014077794909381  0.005623420723441  0.014474730853482 -0.023843744594313

                         9                 10                 11                 12                 13                 14                 15                 16                 17     
                      ( 70)              ( 71)              ( 72)              ( 73)              ( 74)              ( 75)              ( 76)              ( 77)              ( 78)    

    0  (  0) -0.000029627036260 -0.000057076377070  0.000044886705199 -0.000061774279089 -0.000121173437451 -0.000071527348578 -0.000002259880264  0.000062320604684  0.000025523670775
    1  (  1)  0.000106546620544  0.000666903751905  0.000428350771047 -0.001200322970905  0.000260453358279  0.000359792733572  0.000025164767239 -0.000037877700364  0.000040454142143
    2  (  2) -0.006052957533670 -0.009482431381877  0.002950667149774 -0.003659921622881 -0.004802601793564 -0.002759937367168 -0.000313558276982  0.000873894713027  0.000373059869003

                        18                 19                 20                 21                 22                 23                 24                 25     
                      ( 79)              ( 80)              ( 81)              ( 82)              ( 83)              ( 84)              ( 85)              ( 86)    

    0  (  0)  0.000084847948290  0.000181423660943  0.000013531270137 -0.000089703658391  0.000113552901783 -0.000083004900904  0.000098631120795  0.000008871275555
    1  (  1)  0.000242126624766  0.000328940494580 -0.000199685561334 -0.000098994208934  0.000178863266347 -0.000175401066693  0.000026219368284  0.000139019294353
    2  (  2)  0.000858399097378  0.001880325350410  0.000317368820544 -0.001114429841819  0.000592920701541 -0.000117910145865  0.000918136173184 -0.000065407346272

	File 122 DPD File2: RIA 3 0
	Matrix for Irrep 1
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 44)              ( 45)              ( 46)              ( 47)              ( 48)              ( 49)              ( 50)              ( 51)              ( 52)    


                         9                 10                 11                 12                 13                 14                 15                 16     
                      ( 53)              ( 54)              ( 55)              ( 56)              ( 57)              ( 58)              ( 59)              ( 60)    


	File 122 DPD File2: RIA 3 0
	Matrix for Irrep 2
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      ( 32)              ( 33)              ( 34)              ( 35)              ( 36)              ( 37)              ( 38)              ( 39)              ( 40)    

    0  (  3) -0.038455876585638  0.012597134660687  0.003045382438982  0.001138473288509  0.002965168534201  0.001642952391304  0.000892974627459 -0.000018724421109  0.000115777108278

                         9                 10                 11     
                      ( 41)              ( 42)              ( 43)    

    0  (  3) -0.000341567938169  0.000687904449165 -0.000143927990906

	File 122 DPD File2: RIA 3 0
	Matrix for Irrep 3
	----------------------------------------

                         0                  1                  2                  3                  4                  5                  6                  7                  8     
                      (  0)              (  1)              (  2)              (  3)              (  4)              (  5)              (  6)              (  7)              (  8)    

    0  (  4)  0.005218865032824  0.003976281280496 -0.000388951231642  0.003229090751026 -0.000914238839057  0.002857362529068 -0.006142839723417  0.001088345506083 -0.001779797001917

                         9                 10                 11                 12                 13                 14                 15                 16                 17     
                      (  9)              ( 10)              ( 11)              ( 12)              ( 13)              ( 14)              ( 15)              ( 16)              ( 17)    

    0  (  4) -0.001395864370409 -0.001201364866362  0.002508793267635 -0.001692445579005 -0.002432315023289 -0.001628599760734 -0.001430210819574  0.000478381370119  0.000121228304938

                        18                 19                 20                 21                 22                 23                 24                 25                 26     
                      ( 18)              ( 19)              ( 20)              ( 21)              ( 22)              ( 23)              ( 24)              ( 25)              ( 26)    

    0  (  4)  0.000815370805153 -0.001470205967327  0.000212242132939 -0.000097195266897  0.000020878821431  0.000093392813341  0.000478804208755 -0.000294605727240  0.000043052882352

                        27                 28                 29                 30                 31     
                      ( 27)              ( 28)              ( 29)              ( 30)              ( 31)    

    0  (  4) -0.000073094874170 -0.000188052378607  0.000230355575478  0.000578600275278  0.000006017798348

Final Energetic Summary for Converged Roots of Irrep B2 
                     Excitation Energy              Total Energy
                (eV)     (cm^-1)     (au)             (au)
EOM State 2     12.066    97320.1   0.4434230584   -75.8981907490

Largest components of excited wave function #2:
	          2  61         0.5911868628
	          2  62        -0.3098887477
	          2  63        -0.1121670483
	          2  65        -0.1023758073
	          3  32        -0.0384558766
	  2   2   9  61        -0.0399184123
	  2   2  61   9        -0.0399184123
	  2   2   4  61         0.0357753758
	  2   2  61   4         0.0357753758
	  2   2   1  61        -0.0332148754


	Total # of sigma evaluations: 38
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:18 2008

user time   =      10.78 seconds =       0.18 minutes
system time =       7.67 seconds =       0.13 minutes
total time  =         19 seconds =       0.32 minutes

                          --------------------------
                          PSI3 Computation Completed
                          --------------------------

PSI3 stopped on augustus.chemistry.gatech.edu at Wed Mar 12 18:36:18 2008

Total PSI3 wall time         39 seconds =       0.65 minutes
******************************************************************************