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******************************************************************************
PSI3 started on augustus.chemistry.gatech.edu at Wed Mar 12 18:29:31 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 ROHF 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 18:29:31 2008

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

  LABEL       =	3B1 CH2 cc-pVDZ/ROHF-EOM-CCSD Energies
  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   2.0786986
    3   1.9654481   0.0000000  -0.6767581

  -Geometry before Center-of-Mass shift (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          CARBON      0.000000000000     0.000000000000     0.000000000000
        HYDROGEN      0.000000000000     0.000000000000     2.078698587437
        HYDROGEN      1.965448127494     0.000000000000    -0.676758062785


  -Rotational constants (cm-1) :
    A =   23.93977  B =   10.42855  C =    7.26416
    It is an asymmetric top.

  -Geometry after Center-of-Mass shift and reorientation (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          CARBON     -0.000000000000    -0.173599091671    -0.000000000000
        HYDROGEN      1.692300778018     1.033507322086     0.000000000000
        HYDROGEN     -1.692300778018     1.033507322086     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 (  4232.61000000     0.00202900)
           (   634.88200000     0.01553500)
           (   146.09700000     0.07541100)
           (    42.49740000     0.25712100)
           (    14.18920000     0.59655500)
           (     1.96660000     0.24251700) )
        (S (     5.14770000     1.00000000) )
        (S (     0.49620000     1.00000000) )
        (S (     0.15330000     1.00000000) )
        (P (    18.15570000     0.01853400)
           (     3.98640000     0.11544200)
           (     1.14290000     0.38620600)
           (     0.35940000     0.64008900) )
        (P (     0.11460000     1.00000000) )
       )

   -Basis set on unique center 2:
      ( (S (    19.24060000     0.03282800)
           (     2.89920000     0.23120800)
           (     0.65340000     0.81723800) )
        (S (     0.17760000     1.00000000) )
       )


  -BASIS SET INFORMATION:
    Total number of shells = 10
    Number of primitives   = 18
    Number of AO           = 14
    Number of SO           = 14

    Irrep    Number of SO
    -----    ------------
      1            8
      2            0
      3            2
      4            4


  -Unique atoms in the canonical coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          CARBON     -0.000000000000    -0.000000000000    -0.173599091671
        HYDROGEN      0.000000000000     1.692300778018     1.033507322086


  -Geometry in the canonical coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          CARBON     -0.000000000000    -0.000000000000    -0.173599091671
        HYDROGEN      0.000000000000     1.692300778018     1.033507322086
        HYDROGEN      0.000000000000    -1.692300778018     1.033507322086


  -Geometry in the canonical coordinate system (Angstrom):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          CARBON     -0.000000000000    -0.000000000000    -0.091864689759
        HYDROGEN      0.000000000000     0.895527070192     0.546908561523
        HYDROGEN      0.000000000000    -0.895527070192     0.546908561523


  -Geometry in the reference coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          CARBON     -0.000000000000    -0.000000000000    -0.173599091671
        HYDROGEN      0.000000000000     1.692300778018     1.033507322086
        HYDROGEN      0.000000000000    -1.692300778018     1.033507322086


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

    Nuclear Repulsion Energy (a.u.) =       6.068298468967

  -The Interatomic Distances in angstroms:

           1           2           3

    1   0.0000000
    2   1.1000000   0.0000000
    3   1.1000000   1.7910541   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
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user time   =       0.03 seconds =       0.00 minutes
system time =       0.00 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:32 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          = 2500000 double words
    Number of threads           = 1
    LIBINT's real type length   = 64 bit

  -CALCULATION CONSTANTS:
    Label                       = 3B1 CH2 cc-pVDZ/ROHF-EOM-CCSD Energies
    Number of atoms             = 3
    Number of atomic orbitals   = 14
    Number of symmetry orbitals = 14
    Maximum AM in the basis     = 1

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

    Wrote 1709 two-electron integrals to IWL file 33

******************************************************************************
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user time   =       0.01 seconds =       0.00 minutes
system time =       0.00 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
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             ------------------------------------------

                CSCF3.0: An SCF program written in C

              Written by too many people to mention here

             ------------------------------------------
  label        = 3B1 CH2 cc-pVDZ/ROHF-EOM-CCSD Energies
  wfn          = EOM_CCSD
  reference    = ROHF
  multiplicity = 3
  charge       = 0
  direct       = false
  dertype      = NONE
  convergence  = 10
  maxiter      = 100
  guess        = AUTO

  nuclear repulsion energy        6.0682984689667
  first run, so defaulting to core-hamiltonian guess

  level shift                      = 1.000000

  level shifting will stop after 10 cycles
  diis scale factor                = 1.020000
  iterations before extrapolation  = 0
  4 error matrices will be kept

  keeping integrals in 29520 bytes of core

  The lowest eigenvalue of the overlap matrix was 3.006470e-02

  Using core guess to determine occupations


  Symmetry block:   A1    A2    B1    B2   
  DOCC:              2     0     0     1   
  SOCC:              1     0     1     0   


  open-shell energy coeffs
  open shell pair    alpha         beta
        1  1       0.000000     -1.000000
        2  1       0.000000     -1.000000
        2  2       0.000000     -1.000000
  reading integrals in the IWL format from files 33,35,36,37

       652 integrals written to file92 in   1 buffers
       421 integrals written to file93 in   1 buffers
  wrote 0 integrals to file92

  iter       total energy        delta E         delta P          diiser
    1       -36.2722808329    4.234058e+01    0.000000e+00    0.000000e+00
    2       -38.5744438649    2.302163e+00    9.900497e-02    1.115809e+00
    3       -38.8244529144    2.500090e-01    1.737118e-02    2.018379e-01
    4       -38.8791364951    5.468358e-02    8.996778e-03    1.128814e-01
    5       -38.8975432695    1.840677e-02    5.935190e-03    7.049522e-02
    6       -38.9024895913    4.946322e-03    3.365158e-03    4.210851e-02
    7       -38.9036574951    1.167904e-03    1.637618e-03    2.319391e-02
    8       -38.9040135841    3.560890e-04    8.699652e-04    1.196673e-02
    9       -38.9041258844    1.123003e-04    5.086182e-04    5.985873e-03
   10       -38.9041569544    3.107009e-05    2.683939e-04    3.001654e-03
   11       -38.9041662469    9.292423e-06    1.426854e-04    1.539565e-03
   12       -38.9041692001    2.953270e-06    7.953802e-05    8.068617e-04
   13       -38.9041700880    8.879020e-07    4.486122e-05    4.305910e-04
   14       -38.9041703522    2.641385e-07    2.559775e-05    2.367570e-04
   15       -38.9041704319    7.975276e-08    1.407143e-05    1.309799e-04
   16       -38.9041704562    2.422964e-08    7.444061e-06    7.127835e-05
   17       -38.9041704629    6.735895e-09    4.094610e-06    3.757811e-05
   18       -38.9041704645    1.570164e-09    2.327862e-06    1.895669e-05
   19       -38.9041704648    3.286473e-10    1.270992e-06    9.152829e-06
   20       -38.9041704649    8.262901e-11    6.463314e-07    4.315532e-06
   21       -38.9041704649    2.924594e-11    3.243175e-07    2.221054e-06
   22       -38.9041704649    1.037392e-11    1.847499e-07    1.333212e-06
   23       -38.9041704649    3.083755e-12    1.143376e-07    7.948150e-07
   24       -38.9041704649    8.242296e-13    6.863613e-08    4.657787e-07
   25       -38.9041704649    2.415845e-13    3.726678e-08    2.665596e-07
   26       -38.9041704649    8.526513e-14    1.892443e-08    1.484606e-07
   27       -38.9041704649    2.131628e-14    1.077557e-08    8.064807e-08
   28       -38.9041704649    7.105427e-15    6.544930e-09    4.341757e-08
   29       -38.9041704649    7.105427e-15    3.753521e-09    2.383140e-08
   30       -38.9041704649    0.000000e+00    1.957427e-09    1.359730e-08
   31       -38.9041704649    2.842171e-14    1.006818e-09    8.006028e-09
   32       -38.9041704649   -2.131628e-14    5.911610e-10    4.739013e-09
   33       -38.9041704649    2.131628e-14    3.698710e-10    2.765281e-09
   34       -38.9041704649   -1.421085e-14    2.198274e-10    1.584549e-09
   35       -38.9041704649   -2.131628e-14    1.173313e-10    8.921628e-10
   36       -38.9041704649    2.842171e-14    5.978325e-11    4.940931e-10

 ci_typ is EOM_CCSD so mo vector will be rotated

Orbital energies (a.u.):

  Doubly occupied orbitals
   1A1    -11.255579     2A1     -0.857955     1B2     -0.557326  

  Singly occupied orbitals
   3A1     -0.186542     1B1     -0.111149  

  Unoccupied orbitals
   4A1      0.312168     2B2      0.328297     3B2      0.472688  
   5A1      0.474590     2B1      0.505265     6A1      0.799398  
   7A1      1.309385     4B2      1.360186     8A1     23.818842  


      * SCF total energy   =     -38.904170464925
        kinetic energy     =      38.893956030439
        nuc. attr. energy  =    -102.566904268986
        elec. rep. energy  =      24.768777773622
        potential energy   =     -77.798126495363
        virial theorem     =       1.999737446285
        wavefunction norm  =       1.000000000000
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:32 2008

user time   =       0.01 seconds =       0.00 minutes
system time =       0.00 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:32 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   =	ROHF
	Derivative      =	None
	Delete TEI File =	Yes
	Memory (Mbytes) =	256.0
	Cache Level     =	2
	Cache Type      =	LRU
	Chkpt Parameters:
	--------------------
	Number of irreps     = 4
	Number of SOs        = 14
	Number of MOs        = 14
	Number of active MOs = 14

	Label	# SOs	# FZDC	# DOCC	# SOCC	# VIRT	# FZVR
	-----	-----	------	------	------	------	------
	 A1 	   8	    0	    2	    1	    5	    0
	 A2 	   0	    0	    0	    0	    0	    0
	 B1 	   2	    0	    0	    1	    1	    0
	 B2 	   4	    0	    1	    0	    3	    0

	Nuclear Rep. energy (chkpt) =      6.06829846896672
	SCF energy          (chkpt) =    -38.90417046492451

	Presorting SO-basis two-electron integrals.
	Sorting File: SO Ints (pq,rs) nbuckets = 1
	Frozen-core energy =    0.000000000000000
	Starting first half-transformation.
	Sorting half-transformed integrals.
	Starting second half-transformation.
	Two-electron integral transformation complete.
******************************************************************************
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Wed Mar 12 18:29:32 2008

user time   =       0.01 seconds =       0.00 minutes
system time =       0.00 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:32 2008


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


	Input parameters:
	-----------------
	Wave function   =	EOM_CCSD
	Reference wfn   =	ROHF
	Derivative      =	None
	Memory (Mbytes) =	256.0
	AO Basis        =	NONE
	Make (ab|cd)    =	True
	Cache Level     =	2
	Cache Type      =	LRU
	Local CC        =     No


	Chkpt Parameters:
	--------------------
	Number of irreps     = 4
	Number of MOs        = 14
	Number of active MOs = 14

	Label	# MOs	# FZDC	# DOCC	# SOCC	# VIRT	# FZVR
	-----	-----	------	------	------	------	------
	 A1 	   8	    0	    2	    1	    5	    0
	 A2 	   0	    0	    0	    0	    0	    0
	 B1 	   2	    0	    0	    1	    1	    0
	 B2 	   4	    0	    1	    0	    3	    0

	Nuclear Rep. energy (chkpt) =      6.06829846896672
	SCF energy          (chkpt) =    -38.90417046492451

	Size of irrep 0 of <ab|cd> integrals:      0.002 (MW) /      0.019 (MB)
	Size of irrep 1 of <ab|cd> integrals:      0.000 (MW) /      0.001 (MB)
	Size of irrep 2 of <ab|cd> integrals:      0.001 (MW) /      0.005 (MB)
	Size of irrep 3 of <ab|cd> integrals:      0.001 (MW) /      0.010 (MB)
	Total:                                     0.004 (MW) /      0.035 (MB)

	Size of irrep 0 of <ia|bc> integrals:      0.001 (MW) /      0.009 (MB)
	Size of irrep 1 of <ia|bc> integrals:      0.000 (MW) /      0.000 (MB)
	Size of irrep 2 of <ia|bc> integrals:      0.000 (MW) /      0.002 (MB)
	Size of irrep 3 of <ia|bc> integrals:      0.001 (MW) /      0.004 (MB)
	Total:                                     0.002 (MW) /      0.016 (MB)

	Size of irrep 0 of tIjAb amplitudes:       0.001 (MW) /      0.004 (MB)
	Size of irrep 1 of tIjAb amplitudes:       0.000 (MW) /      0.000 (MB)
	Size of irrep 2 of tIjAb amplitudes:       0.000 (MW) /      0.001 (MB)
	Size of irrep 3 of tIjAb amplitudes:       0.000 (MW) /      0.002 (MB)
	Total:                                     0.001 (MW) /      0.007 (MB)


	Sorting File: A <ij|kl> nbuckets = 1
	Sorting File: B <ab|cd> nbuckets = 1
	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 = 1
	Sorting File: F <ai|bc> nbuckets = 1
	One-electron energy          =    -63.67294823854689
	Two-electron (AA) energy     =     10.59407856406340
	Two-electron (BB) energy     =      3.36434169363037
	Two-electron (AB) energy     =     11.72126917580875
	Two-electron energy          =     18.70047930465564
	Frozen-core energy (transqt) =      0.00000000000000
	Reference energy             =    -38.90417046492453
******************************************************************************
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user time   =       0.02 seconds =       0.00 minutes
system time =       0.01 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
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			**************************
			*                        *
			*        CCENERGY        *
			*                        *
			**************************

	Nuclear Rep. energy (chkpt)   =    6.068298468966722
	SCF energy          (chkpt)   =  -38.904170464924512
	Reference energy    (file100) =  -38.904170464924533

	Input parameters:
	-----------------
	Wave function   =    EOM_CCSD
	Reference wfn   =     ROHF
	Memory (Mbytes) =  256.0
	Maxiter         =     50
	Convergence     = 1.0e-07
	Restart         =     Yes
	DIIS            =     Yes
	AO Basis        =     NONE
	ABCD            =     NEW
	Cache Level     =    2
	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        -0.065873751904452    0.000e+00    0.000270    0.000758    0.000758
     1        -0.078131342899261    4.045e-02    0.002891    0.003759    0.005316
     2        -0.083280708505618    1.690e-02    0.004908    0.006709    0.009488
     3        -0.083554833290241    4.737e-03    0.005374    0.007810    0.011044
     4        -0.083654805405349    1.661e-03    0.005450    0.008247    0.011663
     5        -0.083642541876323    4.698e-04    0.005446    0.008290    0.011724
     6        -0.083654714733385    1.170e-04    0.005445    0.008280    0.011710
     7        -0.083653513788243    3.225e-05    0.005442    0.008272    0.011698
     8        -0.083653471371000    9.467e-06    0.005442    0.008271    0.011696
     9        -0.083653573170577    2.409e-06    0.005442    0.008271    0.011696
    10        -0.083653593324231    7.748e-07    0.005442    0.008271    0.011696
    11        -0.083653574004080    2.287e-07    0.005442    0.008271    0.011697
    12        -0.083653575109138    6.053e-08    0.005442    0.008271    0.011697

	Iterations converged.


	Largest TIA Amplitudes:
	          4   9        -0.0252900043
	          1   0        -0.0243498383
	          4   8         0.0174030120
	          2   0        -0.0149389762
	          3   6        -0.0114688738
	          1   3         0.0098895261
	          4  10        -0.0090861974
	          2   1        -0.0059691285
	          1   2         0.0035882977
	          2   3         0.0033869662

	Largest Tia Amplitudes:
	          1   0         0.0303883813
	          4   9         0.0202359628
	          4   8        -0.0187763055
	          1   3        -0.0100085636
	          4  10         0.0092189540
	          1   2         0.0043019189
	          1   5        -0.0020855838
	          1   1         0.0019966676
	          0   0        -0.0004166232
	          1   4        -0.0003819883

	Largest TIJAB Amplitudes:
	  4   3   9   6         0.0325575843
	  3   2   6   1        -0.0325491308
	  4   2   9   1         0.0248576262
	  3   2   6   2         0.0195504128
	  3   1   6   1        -0.0154641531
	  2   1   2   1         0.0143894232
	  3   1   6   0         0.0133008579
	  2   1   1   0         0.0118816678
	  4   1   9   1         0.0111909147
	  3   1   6   2        -0.0111430847

	Largest Tijab Amplitudes:
	  4   1   8   5         0.0113661089
	  4   1   9   0        -0.0096234949
	  4   1   9   1         0.0087835030
	  4   1   9   3         0.0064833767
	  4   1  10   5        -0.0060494050
	  4   1   9   2         0.0054449311
	  4   1   9   5        -0.0035740301
	  4   1   8   0        -0.0032106832
	  4   1   8   2        -0.0020034661
	  4   1  10   2         0.0019871987

	Largest TIjAb Amplitudes:
	  4   4   9   9        -0.0489818157
	  3   1   0   7         0.0445064437
	  3   4   6   9         0.0404118907
	  2   4   1   9         0.0315749925
	  4   4   0   0        -0.0282307232
	  4   1   8   5         0.0270361259
	  4   1   9   0        -0.0266466652
	  3   1   6   0         0.0263754926
	  4   4   8   8        -0.0259655311
	  1   4   0   9        -0.0247840995

	SCF energy       (chkpt)   =  -38.904170464924512
	Reference energy (file100) =  -38.904170464924533
	CCSD correlation energy    =   -0.083653575109138
      * CCSD total energy          =  -38.987824040033672

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:32 2008

user time   =       0.24 seconds =       0.00 minutes
system time =       0.12 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:32 2008


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

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:32 2008

user time   =       0.04 seconds =       0.00 minutes
system time =       0.03 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:32 2008


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

	Nuclear Rep. energy (chkpt)   =    6.068298468966722
	SCF energy          (chkpt)   =  -38.904170464924512
	Reference energy    (file100) =  -38.904170464924533
	CCSD energy         (file100) =   -0.083653575109138

	Input parameters:
	-----------------
	Reference wfn   =    ROHF
	Reference EOM wfn=    ROHF
	Memory (Mbytes) =  256.0
	AO Basis        =     No
	ABCD            =     NEW
	Cache Level     =    2
	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 =    A2 
	Guess vectors taken from    = SINGLES
	Restart EOM CC3             = NO
	Collapse with last vector   = YES



Fae   dot Fae   total 1145.9367911599
Fmi   dot Fmi   total  256.9060260941
Fme   dot Fme   total    0.0026987998
WMBIJ dot WMBIJ total    0.7283563853
Wmbij dot Wmbij total    0.2629190625
WMbIj dot WMbIj total    1.4618399637
WmBiJ dot WmBiJ total    1.5692806797
Symmetry of ground state: B1 
Symmetry of excited state: B2 
Symmetry of right eigenvector: A2 
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)=   0.4553683434
SigmaSS, D(norm sigma)=   0.0551278417
SigmaSS, D(norm sigma)=   0.2137250499
SigmaSS, D(norm sigma)=  -0.3903417446
SigmaSS, D(norm sigma)=   0.1214888530
SigmaSS, D(norm sigma)=   0.0551278417
SigmaSS, D(norm sigma)=   0.2137250499
SigmaSS, D(norm sigma)=  -0.3903417446
SigmaSS, D(norm sigma)=   0.4725178506
SigmaSS, D(norm sigma)=   0.5919762139
SigmaSS, D(norm sigma)=  -1.0816614374
SigmaSS, D(norm sigma)=   0.0000000000
Done.


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

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     3	col =     0
	   Irrep: 1 row =     0	col =     6
	   Irrep: 2 row =     1	col =     3
	   Irrep: 3 row =     1	col =     2

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

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

                         0                  1                  2                  3                  4                  5     
                      (  0)              (  1)              (  2)              (  3)              (  4)              (  5)    


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

                         0                  1                  2     
                      (  8)              (  9)              ( 10)    

    0  (  3) -0.059194634372261  0.055634303295502  0.016081440432889

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

                         0                  1     
                      (  6)              (  7)    

    0  (  4) -0.011636784088185  0.000000000000000

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

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     3	col =     0
	   Irrep: 1 row =     0	col =     6
	   Irrep: 2 row =     1	col =     3
	   Irrep: 3 row =     1	col =     2

	File 142 DPD File2: Cme 0
	Matrix for Irrep 0
	----------------------------------------

	File 142 DPD File2: Cme 0
	Matrix for Irrep 1
	----------------------------------------

                         0                  1                  2                  3                  4                  5     
                      (  0)              (  1)              (  2)              (  3)              (  4)              (  5)    


	File 142 DPD File2: Cme 0
	Matrix for Irrep 2
	----------------------------------------

                         0                  1                  2     
                      (  8)              (  9)              ( 10)    

    0  (  3)  0.000000000000000  0.000000000000000  0.000000000000000

	File 142 DPD File2: Cme 0
	Matrix for Irrep 3
	----------------------------------------

                         0                  1     
                      (  6)              (  7)    

    0  (  4) -0.138025192330690  0.986892009477290
resetting norm
Iter=1    L=1   resetting norm
SigmaSS, D(norm sigma)=   0.3167121175
FSD    , D(norm sigma)=   0.0000000000
WamefSD, D(norm sigma)=   0.0000000000
WmnieSD, D(norm sigma)=   0.0000000000
WmaijDS, D(norm sigma)=   0.0735222615
WabejDS, D(norm sigma)=   0.0071013586
WnmjeDS, D(norm sigma)=   0.0005733178
WbmfeDS, D(norm sigma)=   0.0030497961
Fbe_FDD , D(norm sigma)=   0.0000000000
 Fmj_DD, 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
resetting norm
Total sigma0 norm af clean, D(norm sigma)=   0.4009588516
The G Matrix

                0        

    0   0.316712117548613
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.2458890711082
Norm of residual vector 0  after precondition    0.2458890711082
                     1   0.3167121175   3.17e-01    2.46e-01      N
Norm of residual vector af preconditioning    0.1222951823147
Iter=2    L=2   resetting norm
SigmaSS, D(norm sigma)=   0.0000000000
FSD    , D(norm sigma)=   0.0192421190
WamefSD, D(norm sigma)=   0.2128013632
WmnieSD, D(norm sigma)=   0.0054174828
WmaijDS, D(norm sigma)=   0.0000000000
WabejDS, D(norm sigma)=   0.0000000000
WnmjeDS, D(norm sigma)=   0.0000000000
WbmfeDS, D(norm sigma)=   0.0000000000
Fbe_FDD , D(norm sigma)=   0.9067787242
 Fmj_DD, D(norm sigma)=   1.2131398272
WmnijDD, D(norm sigma)=   0.5015725759
WabefDD, D(norm sigma)=   0.4415360015
WmbejDD, D(norm sigma)=  -1.6742589442
WmnefDD XAF, D(norm sigma)=   0.0097224116
WmnefDD XLI, D(norm sigma)=   0.0011548564
resetting norm
resetting norm
Total sigma1 norm af clean, D(norm sigma)=   1.6371064177
The G Matrix

                0                  1        

    0   0.316712117548613 -0.232671550117449
    1  -0.235112985003078  1.506484890024289
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0584038252440
Norm of residual vector 0  after precondition    0.0584038252440
                     1   0.2723849908  -4.43e-02    5.84e-02      N
Norm of residual vector af preconditioning    0.0279134374565
Iter=3    L=3   resetting norm
SigmaSS, D(norm sigma)=   0.3014722237
FSD    , D(norm sigma)=  -0.0018686211
WamefSD, D(norm sigma)=   0.0502707994
WmnieSD, D(norm sigma)=  -0.0974499879
WmaijDS, D(norm sigma)=   0.0167666135
WabejDS, D(norm sigma)=   0.0008550177
WnmjeDS, D(norm sigma)=  -0.0000464508
WbmfeDS, D(norm sigma)=   0.0003960362
Fbe_FDD , D(norm sigma)=   0.8702874882
 Fmj_DD, D(norm sigma)=   1.1780284499
WmnijDD, D(norm sigma)=   0.3948955030
WabefDD, D(norm sigma)=   0.3170071657
WmbejDD, D(norm sigma)=  -1.2709936996
WmnefDD XAF, D(norm sigma)=   0.0050004171
WmnefDD XLI, D(norm sigma)=   0.0000474941
resetting norm
resetting norm
Total sigma2 norm af clean, D(norm sigma)=   1.7646684491
The G Matrix

                0                  1                  2        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085
    1  -0.235112985003078  1.506484890024289  0.353000340809371
    2  -0.017939405913373  0.352428893536987  1.263065880881419
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0270202616903
Norm of residual vector 0  after precondition    0.0270202616903
                     1   0.2710159317  -1.37e-03    2.70e-02      N
Norm of residual vector af preconditioning    0.0079053566155
Iter=4    L=4   resetting norm
SigmaSS, D(norm sigma)=   0.2202979167
FSD    , D(norm sigma)=  -0.0007093625
WamefSD, D(norm sigma)=  -0.0159862410
WmnieSD, D(norm sigma)=  -0.0052580443
WmaijDS, D(norm sigma)=   0.0088661594
WabejDS, D(norm sigma)=  -0.0003148971
WnmjeDS, D(norm sigma)=   0.0000253983
WbmfeDS, D(norm sigma)=   0.0001793361
Fbe_FDD , D(norm sigma)=   2.2118934413
 Fmj_DD, D(norm sigma)=   1.7401400633
WmnijDD, D(norm sigma)=   0.3867253945
WabefDD, D(norm sigma)=   0.3239366231
WmbejDD, D(norm sigma)=  -1.1366389947
WmnefDD XAF, D(norm sigma)=   0.0008260747
WmnefDD XLI, D(norm sigma)=   0.0000971570
resetting norm
resetting norm
Total sigma3 norm af clean, D(norm sigma)=   3.7340800247
The G Matrix

                0                  1                  2                  3        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0122948332776
Norm of residual vector 0  after precondition    0.0122948332776
                     1   0.2709170672  -9.89e-05    1.23e-02      N
Norm of residual vector af preconditioning    0.0026774287186
Iter=5    L=5   resetting norm
SigmaSS, D(norm sigma)=   0.2113537635
FSD    , D(norm sigma)=  -0.0016836787
WamefSD, D(norm sigma)=   0.0359328740
WmnieSD, D(norm sigma)=   0.0060368999
WmaijDS, D(norm sigma)=   0.0075546976
WabejDS, D(norm sigma)=   0.0019209430
WnmjeDS, D(norm sigma)=  -0.0000527157
WbmfeDS, D(norm sigma)=  -0.0000688720
Fbe_FDD , D(norm sigma)=   4.3475089433
 Fmj_DD, D(norm sigma)=   2.4364455236
WmnijDD, D(norm sigma)=   0.4537130129
WabefDD, D(norm sigma)=   0.3749987298
WmbejDD, D(norm sigma)=  -1.0952700125
WmnefDD XAF, D(norm sigma)=   0.0001343521
WmnefDD XLI, D(norm sigma)=   0.0000991681
resetting norm
resetting norm
Total sigma4 norm af clean, D(norm sigma)=   6.7786236289
The G Matrix

                0                  1                  2                  3                  4        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896  0.011589879159608
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874 -0.144012470069604
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473 -0.376140448143099
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018 -1.475667701180762
    4   0.018617421753573 -0.146000732925791 -0.374620112636299 -1.476509768067072  3.447636311753788
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0036231392040
Norm of residual vector 0  after precondition    0.0036231392040
                     1   0.2708669384  -5.01e-05    3.62e-03      N
Norm of residual vector af preconditioning    0.0008931129786
Iter=6    L=6   resetting norm
SigmaSS, D(norm sigma)=   0.2782575850
FSD    , D(norm sigma)=   0.0015048845
WamefSD, D(norm sigma)=   0.0028796750
WmnieSD, D(norm sigma)=   0.0255249136
WmaijDS, D(norm sigma)=   0.0087350161
WabejDS, D(norm sigma)=   0.0007695507
WnmjeDS, D(norm sigma)=  -0.0000235548
WbmfeDS, D(norm sigma)=   0.0000623804
Fbe_FDD , D(norm sigma)=   5.3562699382
 Fmj_DD, D(norm sigma)=   2.5916070677
WmnijDD, D(norm sigma)=   0.6078358035
WabefDD, D(norm sigma)=   0.3999783035
WmbejDD, D(norm sigma)=  -1.0364939640
WmnefDD XAF, D(norm sigma)=   0.0002106487
WmnefDD XLI, D(norm sigma)=   0.0000492517
resetting norm
resetting norm
Total sigma5 norm af clean, D(norm sigma)=   8.2371674997
The G Matrix

                0                  1                  2                  3                  4        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896  0.011589879159608
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874 -0.144012470069604
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473 -0.376140448143099
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018 -1.475667701180762
    4   0.018617421753573 -0.146000732925791 -0.374620112636299 -1.476509768067072  3.447636311753788
    5  -0.016485140081264  0.121217144632932  0.271947450658450  0.972721919579429 -2.487977299984705

                5        

    0  -0.014472337288450
    1   0.121477926055120
    2   0.272187131010543
    3   0.974178116414482
    4  -2.486285391816285
    5   3.905589057383727
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0014566954381
Norm of residual vector 0  after precondition    0.0014566954381
                     1   0.2708602664  -6.67e-06    1.46e-03      N
Norm of residual vector af preconditioning    0.0003292826935
Iter=7    L=7   resetting norm
SigmaSS, D(norm sigma)=   0.2588437650
FSD    , D(norm sigma)=   0.0020954034
WamefSD, D(norm sigma)=  -0.0079270736
WmnieSD, D(norm sigma)=   0.0074694489
WmaijDS, D(norm sigma)=   0.0102741229
WabejDS, D(norm sigma)=   0.0035976280
WnmjeDS, D(norm sigma)=   0.0000554660
WbmfeDS, D(norm sigma)=  -0.0001821096
Fbe_FDD , D(norm sigma)=   5.1375437383
 Fmj_DD, D(norm sigma)=   3.2026915533
WmnijDD, D(norm sigma)=   0.8639298249
WabefDD, D(norm sigma)=   0.3797829347
WmbejDD, D(norm sigma)=  -1.0068498362
WmnefDD XAF, D(norm sigma)=   0.0000793004
WmnefDD XLI, D(norm sigma)=   0.0000212527
resetting norm
resetting norm
Total sigma6 norm af clean, D(norm sigma)=   8.8514254190
The G Matrix

                0                  1                  2                  3                  4        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896  0.011589879159608
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874 -0.144012470069604
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473 -0.376140448143099
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018 -1.475667701180762
    4   0.018617421753573 -0.146000732925791 -0.374620112636299 -1.476509768067072  3.447636311753788
    5  -0.016485140081264  0.121217144632932  0.271947450658450  0.972721919579429 -2.487977299984705
    6   0.001164615817842 -0.019820489496657 -0.123995407291835 -0.549471123886398  1.386320270287817

                5                  6        

    0  -0.014472337288450 -0.000500943318399
    1   0.121477926055120 -0.019901064397955
    2   0.272187131010543 -0.125080705787583
    3   0.974178116414482 -0.550449248702159
    4  -2.486285391816285  1.388065430671208
    5   3.905589057383727 -2.630678523932047
    6  -2.631923765778511  3.861429091723652
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0006904218402
Norm of residual vector 0  after precondition    0.0006904218402
                     1   0.2708592347  -1.03e-06    6.90e-04      N
Norm of residual vector af preconditioning    0.0001650335146
Iter=8    L=8   resetting norm
SigmaSS, D(norm sigma)=   0.2348159985
FSD    , D(norm sigma)=  -0.0000038008
WamefSD, D(norm sigma)=  -0.0052117208
WmnieSD, D(norm sigma)=  -0.0042692767
WmaijDS, D(norm sigma)=   0.0264918068
WabejDS, D(norm sigma)=  -0.0035036665
WnmjeDS, D(norm sigma)=   0.0005847788
WbmfeDS, D(norm sigma)=  -0.0002468135
Fbe_FDD , D(norm sigma)=   5.3491997386
 Fmj_DD, D(norm sigma)=   5.1724701942
WmnijDD, D(norm sigma)=   1.2463472645
WabefDD, D(norm sigma)=   0.3644134654
WmbejDD, D(norm sigma)=  -1.1098544318
WmnefDD XAF, D(norm sigma)=   0.0000601566
WmnefDD XLI, D(norm sigma)=   0.0000075905
resetting norm
resetting norm
Total sigma7 norm af clean, D(norm sigma)=  11.2713012838
The G Matrix

                0                  1                  2                  3                  4        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896  0.011589879159608
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874 -0.144012470069604
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473 -0.376140448143099
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018 -1.475667701180762
    4   0.018617421753573 -0.146000732925791 -0.374620112636299 -1.476509768067072  3.447636311753788
    5  -0.016485140081264  0.121217144632932  0.271947450658450  0.972721919579429 -2.487977299984705
    6   0.001164615817842 -0.019820489496657 -0.123995407291835 -0.549471123886398  1.386320270287817
    7  -0.007534679675452  0.025571904002284 -0.079452179747738 -0.361171642422959  1.051056542655298

                5                  6                  7        

    0  -0.014472337288450 -0.000500943318399 -0.003407095879369
    1   0.121477926055120 -0.019901064397955  0.026330345133641
    2   0.272187131010543 -0.125080705787583 -0.078458565849653
    3   0.974178116414482 -0.550449248702159 -0.361473953891973
    4  -2.486285391816285  1.388065430671208  1.050383466964449
    5   3.905589057383727 -2.630678523932047 -2.030769575152197
    6  -2.631923765778511  3.861429091723652  3.532854548203726
    7  -2.032265927733072  3.532255757089760  5.515828247688654
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0002978180274
Norm of residual vector 0  after precondition    0.0002978180274
                     1   0.2708576312  -1.60e-06    2.98e-04      N
Norm of residual vector af preconditioning    0.0000896245473
Iter=9    L=9   resetting norm
SigmaSS, D(norm sigma)=   0.2278305442
FSD    , D(norm sigma)=  -0.0002405298
WamefSD, D(norm sigma)=  -0.0027277847
WmnieSD, D(norm sigma)=  -0.0163735162
WmaijDS, D(norm sigma)=   0.0216636558
WabejDS, D(norm sigma)=  -0.0037775355
WnmjeDS, D(norm sigma)=   0.0005907598
WbmfeDS, D(norm sigma)=  -0.0000981679
Fbe_FDD , D(norm sigma)=   6.1942056028
 Fmj_DD, D(norm sigma)=   8.3376160308
WmnijDD, D(norm sigma)=   1.8666154101
WabefDD, D(norm sigma)=   0.3822877772
WmbejDD, D(norm sigma)=  -1.3898024904
WmnefDD XAF, D(norm sigma)=   0.0000195193
WmnefDD XLI, D(norm sigma)=   0.0000051048
resetting norm
resetting norm
Total sigma8 norm af clean, D(norm sigma)=  15.6178143806
The G Matrix

                0                  1                  2                  3                  4        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896  0.011589879159608
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874 -0.144012470069604
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473 -0.376140448143099
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018 -1.475667701180762
    4   0.018617421753573 -0.146000732925791 -0.374620112636299 -1.476509768067072  3.447636311753788
    5  -0.016485140081264  0.121217144632932  0.271947450658450  0.972721919579429 -2.487977299984705
    6   0.001164615817842 -0.019820489496657 -0.123995407291835 -0.549471123886398  1.386320270287817
    7  -0.007534679675452  0.025571904002284 -0.079452179747738 -0.361171642422959  1.051056542655298
    8  -0.003070528956741  0.016619522642565  0.051914816153396  0.383415055068365 -1.217016767678636

                5                  6                  7                  8        

    0  -0.014472337288450 -0.000500943318399 -0.003407095879369 -0.005438183862429
    1   0.121477926055120 -0.019901064397955  0.026330345133641  0.018300644790355
    2   0.272187131010543 -0.125080705787583 -0.078458565849653  0.052360521005349
    3   0.974178116414482 -0.550449248702159 -0.361473953891973  0.382530424527151
    4  -2.486285391816285  1.388065430671208  1.050383466964449 -1.217814994816921
    5   3.905589057383727 -2.630678523932047 -2.030769575152197  2.432564147914962
    6  -2.631923765778511  3.861429091723652  3.532854548203726 -3.939004976214333
    7  -2.032265927733072  3.532255757089760  5.515828247688654 -6.417348069339948
    8   2.430788679435289 -3.940877015540813 -6.415939436513220  9.998963446405678
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001369736126
Norm of residual vector 0  after precondition    0.0001369736126
                     1   0.2708571313  -5.00e-07    1.37e-04      N
Norm of residual vector af preconditioning    0.0000350687681
Iter=10   L=10  resetting norm
SigmaSS, D(norm sigma)=   0.2733515307
FSD    , D(norm sigma)=  -0.0021279984
WamefSD, D(norm sigma)=   0.0016803690
WmnieSD, D(norm sigma)=   0.0096542894
WmaijDS, D(norm sigma)=   0.0143476324
WabejDS, D(norm sigma)=  -0.0009049408
WnmjeDS, D(norm sigma)=   0.0005754797
WbmfeDS, D(norm sigma)=   0.0000206665
Fbe_FDD , D(norm sigma)=   3.1674141195
 Fmj_DD, D(norm sigma)=   8.4809595372
WmnijDD, D(norm sigma)=   1.7223103049
WabefDD, D(norm sigma)=   0.2313814056
WmbejDD, D(norm sigma)=  -1.1426440251
WmnefDD XAF, D(norm sigma)=   0.0000400259
WmnefDD XLI, D(norm sigma)=   0.0000050970
resetting norm
resetting norm
Total sigma9 norm af clean, D(norm sigma)=  12.7560634937
The G Matrix

                0                  1                  2                  3                  4        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896  0.011589879159608
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874 -0.144012470069604
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473 -0.376140448143099
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018 -1.475667701180762
    4   0.018617421753573 -0.146000732925791 -0.374620112636299 -1.476509768067072  3.447636311753788
    5  -0.016485140081264  0.121217144632932  0.271947450658450  0.972721919579429 -2.487977299984705
    6   0.001164615817842 -0.019820489496657 -0.123995407291835 -0.549471123886398  1.386320270287817
    7  -0.007534679675452  0.025571904002284 -0.079452179747738 -0.361171642422959  1.051056542655298
    8  -0.003070528956741  0.016619522642565  0.051914816153396  0.383415055068365 -1.217016767678636
    9   0.007484474977803 -0.055393730872857 -0.087737567398714 -0.229679649976225  0.761141917667224

                5                  6                  7                  8                  9        

    0  -0.014472337288450 -0.000500943318399 -0.003407095879369 -0.005438183862429  0.003047903327448
    1   0.121477926055120 -0.019901064397955  0.026330345133641  0.018300644790355 -0.053037202939705
    2   0.272187131010543 -0.125080705787583 -0.078458565849653  0.052360521005349 -0.087593583376390
    3   0.974178116414482 -0.550449248702159 -0.361473953891973  0.382530424527151 -0.229612958736905
    4  -2.486285391816285  1.388065430671208  1.050383466964449 -1.217814994816921  0.759777448326388
    5   3.905589057383727 -2.630678523932047 -2.030769575152197  2.432564147914962 -1.550502376258815
    6  -2.631923765778511  3.861429091723652  3.532854548203726 -3.939004976214333  2.550935565244737
    7  -2.032265927733072  3.532255757089760  5.515828247688654 -6.417348069339948  4.135630164935323
    8   2.430788679435289 -3.940877015540813 -6.415939436513220  9.998963446405678 -7.040086395209988
    9  -1.550847476887085  2.549678182432875  4.136670031964077 -7.039763016213034  7.477798917938924
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000555248589
Norm of residual vector 0  after precondition    0.0000555248589
                     1   0.2708573521   2.21e-07    5.55e-05      N
Norm of residual vector af preconditioning    0.0000137376808
Iter=11   L=11  resetting norm
SigmaSS, D(norm sigma)=   0.2069980293
FSD    , D(norm sigma)=   0.0010999336
WamefSD, D(norm sigma)=   0.0094405139
WmnieSD, D(norm sigma)=   0.0028651275
WmaijDS, D(norm sigma)=   0.0259617115
WabejDS, D(norm sigma)=  -0.0028953734
WnmjeDS, D(norm sigma)=   0.0004382871
WbmfeDS, D(norm sigma)=  -0.0002615350
Fbe_FDD , D(norm sigma)=   2.5884582621
 Fmj_DD, D(norm sigma)=   6.3375019186
WmnijDD, D(norm sigma)=   1.2823751632
WabefDD, D(norm sigma)=   0.2046929545
WmbejDD, D(norm sigma)=  -0.9062740460
WmnefDD XAF, D(norm sigma)=   0.0000887463
WmnefDD XLI, D(norm sigma)=   0.0000056191
resetting norm
resetting norm
Total sigma10 norm af clean, D(norm sigma)=   9.7504953123
The G Matrix

                0                  1                  2                  3                  4        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896  0.011589879159608
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874 -0.144012470069604
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473 -0.376140448143099
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018 -1.475667701180762
    4   0.018617421753573 -0.146000732925791 -0.374620112636299 -1.476509768067072  3.447636311753788
    5  -0.016485140081264  0.121217144632932  0.271947450658450  0.972721919579429 -2.487977299984705
    6   0.001164615817842 -0.019820489496657 -0.123995407291835 -0.549471123886398  1.386320270287817
    7  -0.007534679675452  0.025571904002284 -0.079452179747738 -0.361171642422959  1.051056542655298
    8  -0.003070528956741  0.016619522642565  0.051914816153396  0.383415055068365 -1.217016767678636
    9   0.007484474977803 -0.055393730872857 -0.087737567398714 -0.229679649976225  0.761141917667224
   10  -0.001001708941328  0.020487766000041  0.089438496531110  0.232335785876864 -0.463700552617976

                5                  6                  7                  8                  9        

    0  -0.014472337288450 -0.000500943318399 -0.003407095879369 -0.005438183862429  0.003047903327448
    1   0.121477926055120 -0.019901064397955  0.026330345133641  0.018300644790355 -0.053037202939705
    2   0.272187131010543 -0.125080705787583 -0.078458565849653  0.052360521005349 -0.087593583376390
    3   0.974178116414482 -0.550449248702159 -0.361473953891973  0.382530424527151 -0.229612958736905
    4  -2.486285391816285  1.388065430671208  1.050383466964449 -1.217814994816921  0.759777448326388
    5   3.905589057383727 -2.630678523932047 -2.030769575152197  2.432564147914962 -1.550502376258815
    6  -2.631923765778511  3.861429091723652  3.532854548203726 -3.939004976214333  2.550935565244737
    7  -2.032265927733072  3.532255757089760  5.515828247688654 -6.417348069339948  4.135630164935323
    8   2.430788679435289 -3.940877015540813 -6.415939436513220  9.998963446405678 -7.040086395209988
    9  -1.550847476887085  2.549678182432875  4.136670031964077 -7.039763016213034  7.477798917938924
   10   0.816928101563879 -1.219143771284925 -1.981690799894089  3.371123846786845 -4.389046138243334

               10        

    0  -0.002818457740750
    1   0.020126587653096
    2   0.090476994154143
    3   0.230911233188984
    4  -0.465238699760770
    5   0.817520376285009
    6  -1.219015862613894
    7  -1.980790029742170
    8   3.373061680098961
    9  -4.388482397043471
   10   4.878003139526657
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000237108627
Norm of residual vector 0  after precondition    0.0000237108627
                     1   0.2708574568   1.05e-07    2.37e-05      N
Norm of residual vector af preconditioning    0.0000059353026
Iter=12   L=12  resetting norm
SigmaSS, D(norm sigma)=   0.1765686182
FSD    , D(norm sigma)=   0.0042142128
WamefSD, D(norm sigma)=  -0.0092104145
WmnieSD, D(norm sigma)=  -0.0344466304
WmaijDS, D(norm sigma)=   0.0246106811
WabejDS, D(norm sigma)=  -0.0017972610
WnmjeDS, D(norm sigma)=   0.0004282444
WbmfeDS, D(norm sigma)=  -0.0001772503
Fbe_FDD , D(norm sigma)=   6.3851249459
 Fmj_DD, D(norm sigma)=   4.9512560045
WmnijDD, D(norm sigma)=   1.1581491173
WabefDD, D(norm sigma)=   0.4148661446
WmbejDD, D(norm sigma)=  -1.0055787940
WmnefDD XAF, D(norm sigma)=   0.0001044646
WmnefDD XLI, D(norm sigma)=   0.0000130637
resetting norm
resetting norm
Total sigma11 norm af clean, D(norm sigma)=  12.0641251469
The G Matrix

                0                  1                  2                  3                  4        

    0   0.316712117548613 -0.232671550117449 -0.040748986227085 -0.007904239817896  0.011589879159608
    1  -0.235112985003078  1.506484890024289  0.353000340809371  0.094888521334874 -0.144012470069604
    2  -0.017939405913373  0.352428893536987  1.263065880881419  0.637554281209473 -0.376140448143099
    3  -0.002406538425969  0.096819519436628  0.638413748707580  2.006748000522018 -1.475667701180762
    4   0.018617421753573 -0.146000732925791 -0.374620112636299 -1.476509768067072  3.447636311753788
    5  -0.016485140081264  0.121217144632932  0.271947450658450  0.972721919579429 -2.487977299984705
    6   0.001164615817842 -0.019820489496657 -0.123995407291835 -0.549471123886398  1.386320270287817
    7  -0.007534679675452  0.025571904002284 -0.079452179747738 -0.361171642422959  1.051056542655298
    8  -0.003070528956741  0.016619522642565  0.051914816153396  0.383415055068365 -1.217016767678636
    9   0.007484474977803 -0.055393730872857 -0.087737567398714 -0.229679649976225  0.761141917667224
   10  -0.001001708941328  0.020487766000041  0.089438496531110  0.232335785876864 -0.463700552617976
   11  -0.005373930983759  0.037523384124173  0.076728020873914  0.205304843359987 -0.185808326478644

                5                  6                  7                  8                  9        

    0  -0.014472337288450 -0.000500943318399 -0.003407095879369 -0.005438183862429  0.003047903327448
    1   0.121477926055120 -0.019901064397955  0.026330345133641  0.018300644790355 -0.053037202939705
    2   0.272187131010543 -0.125080705787583 -0.078458565849653  0.052360521005349 -0.087593583376390
    3   0.974178116414482 -0.550449248702159 -0.361473953891973  0.382530424527151 -0.229612958736905
    4  -2.486285391816285  1.388065430671208  1.050383466964449 -1.217814994816921  0.759777448326388
    5   3.905589057383727 -2.630678523932047 -2.030769575152197  2.432564147914962 -1.550502376258815
    6  -2.631923765778511  3.861429091723652  3.532854548203726 -3.939004976214333  2.550935565244737
    7  -2.032265927733072  3.532255757089760  5.515828247688654 -6.417348069339948  4.135630164935323
    8   2.430788679435289 -3.940877015540813 -6.415939436513220  9.998963446405678 -7.040086395209988
    9  -1.550847476887085  2.549678182432875  4.136670031964077 -7.039763016213034  7.477798917938924
   10   0.816928101563879 -1.219143771284925 -1.981690799894089  3.371123846786845 -4.389046138243334
   11  -0.076800574524515  0.268042873413051  0.186308926731015  0.501821685389308 -2.024675440124798

               10                 11        

    0  -0.002818457740750 -0.002144847897124
    1   0.020126587653096  0.037840340429406
    2   0.090476994154143  0.075188570733212
    3   0.230911233188984  0.206325845795086
    4  -0.465238699760770 -0.184232515106889
    5   0.817520376285009 -0.078295282241725
    6  -1.219015862613894  0.267139208178075
    7  -1.980790029742170  0.184736195269087
    8   3.373061680098961  0.500069494251029
    9  -4.388482397043471 -2.026295821757574
   10   4.878003139526657  3.796911585309856
   11   3.796195064149706  6.194609040257704
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000109702831
Norm of residual vector 0  after precondition    0.0000109702831
                     1   0.2708575043   4.75e-08    1.10e-05      N
Norm of residual vector af preconditioning    0.0000025985571
alpha

           1           2           3           4           5           6           7           8           9          10

    1   0.9768513   0.0083433   0.0505145   0.0563426   0.0587704  -0.0798571   0.1324052  -0.0726903   0.0352932   0.0057208
    2   0.2032992  -0.0212368  -0.1002920  -0.1897377  -0.2370186   0.3764093  -0.7118747   0.4083776  -0.2234761  -0.0503992
    3  -0.0640477   0.0861207   0.2966972   0.5417407   0.4107965  -0.3373744  -0.1718300   0.4153852  -0.3109691  -0.1268776
    4   0.0171957  -0.1022032  -0.3488349  -0.4757928  -0.0006549  -0.3717842   0.3182532   0.3036820  -0.4187377  -0.3502385
    5   0.0052993  -0.1649086  -0.3515590  -0.1968955   0.3977283  -0.3330576  -0.2283335   0.1733917   0.2700962   0.5879514
    6   0.0019865  -0.2886091  -0.3575078   0.1066287   0.4360511   0.0792579  -0.2761306  -0.3128028   0.2149853  -0.5083260
    7   0.0009594  -0.4164403  -0.3303541   0.3558149   0.0648958   0.3604254   0.2098945  -0.1136085  -0.4792121   0.1663490
    8  -0.0005080   0.5775773  -0.0163958  -0.2581140   0.3472254   0.0348775  -0.1700025  -0.3825738  -0.2660536  -0.1256611
    9  -0.0001966   0.4109822  -0.2168095  -0.0058436   0.3030932   0.3866658   0.2277930   0.1304792  -0.1423280   0.2820537
   10  -0.0000716   0.3172088  -0.3664055   0.2314715  -0.0462134   0.1740284   0.2091021   0.4078998   0.3916823  -0.1841561
   11  -0.0000298   0.2842710  -0.4431280   0.3459126  -0.3879577  -0.3190579  -0.1456826  -0.1233706   0.0293414  -0.0917572
   12   0.0000078  -0.1173506   0.1981028  -0.1559811   0.2323711   0.2645138   0.1634473   0.2781528   0.2874669  -0.2987144

          11          12

    1  -0.0003892   0.0004265
    2   0.0024311  -0.0040143
    3   0.0141295  -0.0131574
    4   0.0639630  -0.0490330
    5  -0.1656645   0.1236153
    6   0.2439189  -0.2067536
    7  -0.2536930   0.2873511
    8  -0.2289884   0.4076578
    9   0.1441580  -0.5920684
   10   0.2061736   0.4871960
   11  -0.4691070  -0.2969015
   12  -0.7131729  -0.1206960
alpha_old

           1           2           3           4           5           6           7           8           9          10

    1   0.9768513   0.0171156  -0.0634119   0.0474396  -0.0718395   0.0889534   0.1325274  -0.0480813  -0.0076888  -0.0039268
    2   0.2032993  -0.0282334   0.1584446  -0.1900366   0.2997242  -0.4528625  -0.7226513   0.2914467   0.0614912   0.0347468
    3  -0.0640476   0.1052755  -0.4744161   0.4723081  -0.4002841   0.2209317  -0.3751171   0.3879349   0.1246810   0.0957273
    4   0.0171956  -0.1251383   0.5162084  -0.2740506  -0.1588903   0.4754093   0.0627412   0.4771166   0.2603929   0.2907590
    5   0.0052982  -0.1819997   0.4286832   0.1183064  -0.4287192   0.1595015  -0.3319703  -0.1815659  -0.3384251  -0.5356117
    6   0.0019850  -0.3219679   0.2822936   0.3860115  -0.2794220  -0.3290848  -0.0367378  -0.3545761   0.1440543   0.5410931
    7   0.0009585  -0.4807187   0.0815290   0.4265941   0.2089614  -0.2303200   0.3221642   0.4017830   0.1987189  -0.3102129
    8  -0.0005037   0.5949320   0.2261014  -0.0186976  -0.3573458  -0.3515782   0.1297865   0.0017662   0.3856932  -0.0769813
    9  -0.0001939   0.4117690   0.2917953   0.3154797   0.0687390  -0.1585854   0.1954215   0.3200081  -0.3134268  -0.1195652
   10  -0.0000671   0.2574562   0.2412956   0.4047456   0.4189549   0.2885404  -0.1105603  -0.0841305  -0.2923426   0.3372174
   11  -0.0000193   0.1204499   0.1213949   0.2340448   0.3256456   0.3055830  -0.1815511  -0.3240479   0.6368498  -0.3086123

          11

    1   0.0004220
    2  -0.0038892
    3  -0.0130492
    4  -0.0492138
    5   0.1258742
    6  -0.2123484
    7   0.2955300
    8   0.4174849
    9  -0.6012337
   10   0.4843738
   11  -0.2805793
alpha_tot

           1           2           3           4           5           6           7           8           9          10

    1   0.9768513   0.9768513   0.0083433   0.0505145   0.0563426   0.0587704  -0.0798571   0.1324052  -0.0726903   0.0352932
    2   0.2032992   0.2032993  -0.0212368  -0.1002920  -0.1897377  -0.2370186   0.3764093  -0.7118747   0.4083776  -0.2234761
    3  -0.0640477  -0.0640476   0.0861207   0.2966972   0.5417407   0.4107965  -0.3373744  -0.1718300   0.4153852  -0.3109691
    4   0.0171957   0.0171956  -0.1022032  -0.3488349  -0.4757928  -0.0006549  -0.3717842   0.3182532   0.3036820  -0.4187377
    5   0.0052993   0.0052982  -0.1649086  -0.3515590  -0.1968955   0.3977283  -0.3330576  -0.2283335   0.1733917   0.2700962
    6   0.0019865   0.0019850  -0.2886091  -0.3575078   0.1066287   0.4360511   0.0792579  -0.2761306  -0.3128028   0.2149853
    7   0.0009594   0.0009585  -0.4164403  -0.3303541   0.3558149   0.0648958   0.3604254   0.2098945  -0.1136085  -0.4792121
    8  -0.0005080  -0.0005037   0.5775773  -0.0163958  -0.2581140   0.3472254   0.0348775  -0.1700025  -0.3825738  -0.2660536
    9  -0.0001966  -0.0001939   0.4109822  -0.2168095  -0.0058436   0.3030932   0.3866658   0.2277930   0.1304792  -0.1423280
   10  -0.0000716  -0.0000671   0.3172088  -0.3664055   0.2314715  -0.0462134   0.1740284   0.2091021   0.4078998   0.3916823
   11  -0.0000298  -0.0000193   0.2842710  -0.4431280   0.3459126  -0.3879577  -0.3190579  -0.1456826  -0.1233706   0.0293414
   12   0.0000078   0.0000000  -0.1173506   0.1981028  -0.1559811   0.2323711   0.2645138   0.1634473   0.2781528   0.2874669

          11          12          13          14          15          16          17          18          19          20

    1   0.0057208  -0.0003892   0.0004265   0.0171156  -0.0634119   0.0474396  -0.0718395   0.0889534   0.1325274  -0.0480813
    2  -0.0503992   0.0024311  -0.0040143  -0.0282334   0.1584446  -0.1900366   0.2997242  -0.4528625  -0.7226513   0.2914467
    3  -0.1268776   0.0141295  -0.0131574   0.1052755  -0.4744161   0.4723081  -0.4002841   0.2209317  -0.3751171   0.3879349
    4  -0.3502385   0.0639630  -0.0490330  -0.1251383   0.5162084  -0.2740506  -0.1588903   0.4754093   0.0627412   0.4771166
    5   0.5879514  -0.1656645   0.1236153  -0.1819997   0.4286832   0.1183064  -0.4287192   0.1595015  -0.3319703  -0.1815659
    6  -0.5083260   0.2439189  -0.2067536  -0.3219679   0.2822936   0.3860115  -0.2794220  -0.3290848  -0.0367378  -0.3545761
    7   0.1663490  -0.2536930   0.2873511  -0.4807187   0.0815290   0.4265941   0.2089614  -0.2303200   0.3221642   0.4017830
    8  -0.1256611  -0.2289884   0.4076578   0.5949320   0.2261014  -0.0186976  -0.3573458  -0.3515782   0.1297865   0.0017662
    9   0.2820537   0.1441580  -0.5920684   0.4117690   0.2917953   0.3154797   0.0687390  -0.1585854   0.1954215   0.3200081
   10  -0.1841561   0.2061736   0.4871960   0.2574562   0.2412956   0.4047456   0.4189549   0.2885404  -0.1105603  -0.0841305
   11  -0.0917572  -0.4691070  -0.2969015   0.1204499   0.1213949   0.2340448   0.3256456   0.3055830  -0.1815511  -0.3240479
   12  -0.2987144  -0.7131729  -0.1206960   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

          21          22          23

    1  -0.0076888  -0.0039268   0.0004220
    2   0.0614912   0.0347468  -0.0038892
    3   0.1246810   0.0957273  -0.0130492
    4   0.2603929   0.2907590  -0.0492138
    5  -0.3384251  -0.5356117   0.1258742
    6   0.1440543   0.5410931  -0.2123484
    7   0.1987189  -0.3102129   0.2955300
    8   0.3856932  -0.0769813   0.4174849
    9  -0.3134268  -0.1195652  -0.6012337
   10  -0.2923426   0.3372174   0.4843738
   11   0.6368498  -0.3086123  -0.2805793
   12   0.0000000   0.0000000   0.0000000
Iter=13   L=2   The G Matrix

                0                  1        

    0   0.270857504263580 -0.003194043225909
    1  -0.000000000000646  0.744692200211500
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000109702804
Norm of residual vector 0  after precondition    0.0000109702804
                     1   0.2708575043  -3.83e-15    1.10e-05      N
Norm of residual vector af preconditioning    0.0000025985572
Iter=14   L=3   resetting norm
SigmaSS, D(norm sigma)=   0.1596757733
FSD    , D(norm sigma)=   0.0040361504
WamefSD, D(norm sigma)=  -0.0105183045
WmnieSD, D(norm sigma)=  -0.0076168757
WmaijDS, D(norm sigma)=   0.0112716358
WabejDS, D(norm sigma)=   0.0004845193
WnmjeDS, D(norm sigma)=   0.0000224588
WbmfeDS, D(norm sigma)=  -0.0000020157
Fbe_FDD , D(norm sigma)=   2.9685592362
 Fmj_DD, D(norm sigma)=   3.2792171964
WmnijDD, D(norm sigma)=   0.7631392010
WabefDD, D(norm sigma)=   0.2650767606
WmbejDD, D(norm sigma)=  -0.8726896972
WmnefDD XAF, D(norm sigma)=   0.0002375018
WmnefDD XLI, D(norm sigma)=   0.0000092749
resetting norm
resetting norm
Total sigma2 norm af clean, D(norm sigma)=   6.5609028155
The G Matrix

                0                  1                  2        

    0   0.270857504263580 -0.003194043225909 -0.000263190834740
    1  -0.000000000000646  0.744692200211500 -0.710866921623091
    2   0.000005995706820 -0.712584755878340  2.866257556838598
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000036382011
Norm of residual vector 0  after precondition    0.0000036382011
                     1   0.2708575241   1.99e-08    3.64e-06      N
Norm of residual vector af preconditioning    0.0000010034233
Iter=15   L=4   resetting norm
SigmaSS, D(norm sigma)=   0.1936473130
FSD    , D(norm sigma)=  -0.0004954863
WamefSD, D(norm sigma)=  -0.0020314366
WmnieSD, D(norm sigma)=   0.0221236263
WmaijDS, D(norm sigma)=   0.0141091072
WabejDS, D(norm sigma)=  -0.0017636516
WnmjeDS, D(norm sigma)=   0.0000429591
WbmfeDS, D(norm sigma)=  -0.0001466415
Fbe_FDD , D(norm sigma)=   2.3902454523
 Fmj_DD, D(norm sigma)=   3.9843755165
WmnijDD, D(norm sigma)=   0.8317995637
WabefDD, D(norm sigma)=   0.2435930915
WmbejDD, D(norm sigma)=  -0.9200997836
WmnefDD XAF, D(norm sigma)=   0.0001575760
WmnefDD XLI, D(norm sigma)=   0.0000089870
resetting norm
resetting norm
Total sigma3 norm af clean, D(norm sigma)=   6.7555661929
The G Matrix

                0                  1                  2                  3        

    0   0.270857504263580 -0.003194043225909 -0.000263190834740 -0.006908086542517
    1  -0.000000000000646  0.744692200211500 -0.710866921623091 -0.262323506313918
    2   0.000005995706820 -0.712584755878340  2.866257556838598  1.787145493451653
    3   0.000003304419562 -0.260615458341236  1.788204524356696  3.157092368938054
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000015202772
Norm of residual vector 0  after precondition    0.0000015202772
                     1   0.2708575181  -6.05e-09    1.52e-06      N
Norm of residual vector af preconditioning    0.0000003157466
Iter=16   L=5   resetting norm
SigmaSS, D(norm sigma)=   0.1577389838
FSD    , D(norm sigma)=   0.0025387180
WamefSD, D(norm sigma)=   0.0007800144
WmnieSD, D(norm sigma)=  -0.0001502322
WmaijDS, D(norm sigma)=   0.0062765719
WabejDS, D(norm sigma)=   0.0013602744
WnmjeDS, D(norm sigma)=  -0.0000584531
WbmfeDS, D(norm sigma)=  -0.0000496494
Fbe_FDD , D(norm sigma)=   3.7063043781
 Fmj_DD, D(norm sigma)=   5.0923518824
WmnijDD, D(norm sigma)=   1.0395641214
WabefDD, D(norm sigma)=   0.2571491651
WmbejDD, D(norm sigma)=  -1.0129457829
WmnefDD XAF, D(norm sigma)=   0.0000311992
WmnefDD XLI, D(norm sigma)=   0.0000409469
resetting norm
resetting norm
Total sigma4 norm af clean, D(norm sigma)=   9.2509321381
The G Matrix

                0                  1                  2                  3                  4        

    0   0.270857504263580 -0.003194043225909 -0.000263190834740 -0.006908086542517  0.005289878092629
    1  -0.000000000000646  0.744692200211500 -0.710866921623091 -0.262323506313918 -0.261767825680063
    2   0.000005995706820 -0.712584755878340  2.866257556838598  1.787145493451653  1.297662573457183
    3   0.000003304419562 -0.260615458341236  1.788204524356696  3.157092368938054  2.531385757466758
    4   0.000002150850898 -0.258788285389416  1.298574256029964  2.531474906791736  4.734843512022963
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000005368386
Norm of residual vector 0  after precondition    0.0000005368386
                     1   0.2708575135  -4.56e-09    5.37e-07      Y
Collapsing to only 1 vector(s).
alpha

           1           2           3           4           5

    1   1.0000000   0.0026764   0.0113925  -0.0016527   0.0000084
    2  -0.0000073  -0.8650309  -0.4230189  -0.2492475   0.0918956
    3  -0.0000054  -0.4113210   0.3053584   0.7497146  -0.4198369
    4   0.0000019   0.2730846  -0.7620545   0.1397309  -0.5709958
    5  -0.0000004  -0.0891866   0.3833464  -0.5968888  -0.6994683
alpha_old

           1           2           3           4

    1  -1.0000000  -0.0082628   0.0052648  -0.0009920
    2   0.0000071   0.8964091  -0.4103618  -0.1608921
    3   0.0000053   0.4038878   0.6130060   0.6799341
    4  -0.0000015  -0.1823655  -0.6751289   0.7154036
alpha_tot

           1           2           3           4           5

    1   1.0000000   0.0026764   0.0113925  -0.0016527   0.0000084
    2  -0.0000073  -0.8650309  -0.4230189  -0.2492475   0.0918956
    3  -0.0000054  -0.4113210   0.3053584   0.7497146  -0.4198369
    4   0.0000019   0.2730846  -0.7620545   0.1397309  -0.5709958
    5  -0.0000004  -0.0891866   0.3833464  -0.5968888  -0.6994683

Procedure converged for 1 root(s).
Energy written to chkpt:Etot  -38.7169665265
<R|R> =   1.0000000000000002
EOM CCSD R0 for root 0 =   0.00000000000

Final Energetic Summary for Converged Roots of Irrep B2 
                     Excitation Energy              Total Energy
                (eV)     (cm^-1)     (au)             (au)
EOM State 1      7.370    59446.4   0.2708575135   -38.7169665265

Largest components of excited wave function #1:
	RIA alpha
	          3   8        -0.0700516173
	          3   9         0.0451382891
	          3  10         0.0177370243
	          4   6        -0.0130477633
	Ria beta
	          4   7         0.9672622064
	          4   6        -0.1099287617
	RIJAB alpha
	  3   4   8   9         0.0030995237
	  3   4   9   8        -0.0030995237
	  4   3   8   9        -0.0030995237
	  4   3   9   8         0.0030995237
	  2   3   1   8        -0.0027008856
	Rijab beta
	  4   1   7   0        -0.0397618456
	  4   1   7   2        -0.0238964475
	  4   1   7   3         0.0186633720
	  4   1   6   1        -0.0132258635
	  4   1   6   0         0.0132084506
	RIjAb alpha,beta
	  3   4   6   6        -0.0719095823
	  4   4   8   7        -0.0605359727
	  2   1   8   7        -0.0567642244
	  3   4   6   7        -0.0488377675
	  4   4  10   7         0.0477219240

Symmetry of excited state: A1 
Symmetry of right eigenvector: B1 
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)=  -8.1989097549
SigmaSS, D(norm sigma)=  -0.4218740870
SigmaSS, D(norm sigma)=  10.0816433610
SigmaSS, D(norm sigma)= -10.1162850858
SigmaSS, D(norm sigma)=  -0.1540701098
SigmaSS, D(norm sigma)=   0.0712019352
SigmaSS, D(norm sigma)=  -0.0859559393
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   0.8474660049
SigmaSS, D(norm sigma)=  -0.8666811591
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   0.4449110672
SigmaSS, D(norm sigma)=  -0.4449110672
SigmaSS, D(norm sigma)=   0.4449110672
SigmaSS, D(norm sigma)=   0.4518305100
SigmaSS, D(norm sigma)=  -0.8967415772
SigmaSS, D(norm sigma)=   0.4449110672
SigmaSS, D(norm sigma)=   0.4518305100
SigmaSS, D(norm sigma)=   0.3364582502
SigmaSS, D(norm sigma)=  -1.2331998274
SigmaSS, D(norm sigma)=   0.4449110672
SigmaSS, D(norm sigma)=   0.4518305100
SigmaSS, D(norm sigma)=   0.3364582502
SigmaSS, D(norm sigma)=   7.2172949849
SigmaSS, D(norm sigma)=  -8.4504948123
SigmaSS, D(norm sigma)=   0.4449110672
SigmaSS, D(norm sigma)=   0.4518305100
SigmaSS, D(norm sigma)=   0.3364582502
SigmaSS, D(norm sigma)=   7.2172949849
SigmaSS, D(norm sigma)=  -2.5326000129
SigmaSS, D(norm sigma)=  -5.9182152904
SigmaSS, D(norm sigma)=   0.0000000000
SigmaSS, D(norm sigma)=   1.2184618626
SigmaSS, D(norm sigma)=  -1.2184618626
SigmaSS, D(norm sigma)=   1.2184618626
SigmaSS, D(norm sigma)=   1.3257544458
SigmaSS, D(norm sigma)=  -2.5442163084
SigmaSS, D(norm sigma)=   1.2184618626
SigmaSS, D(norm sigma)=   1.3257544458
SigmaSS, D(norm sigma)=   7.5844727437
Done.


	DPD File2: CME 0
	DPD Parameters:
	------------------
	pnum = 0   qnum = 1   irrep = 2 
	Irreps = 4

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     3	col =     2
	   Irrep: 1 row =     0	col =     3
	   Irrep: 2 row =     1	col =     6
	   Irrep: 3 row =     1	col =     0

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

                         0                  1     
                      (  6)              (  7)    

    0  (  0)  0.000023311350489  0.000000000000000
    1  (  1) -0.024315726922413  0.000000000000000
    2  (  2)  0.032593243791053  0.000000000000000

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

                         0                  1                  2     
                      (  8)              (  9)              ( 10)    


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

                         0                  1                  2                  3                  4                  5     
                      (  0)              (  1)              (  2)              (  3)              (  4)              (  5)    

    0  (  3)  0.936408241547512 -0.255564123848337 -0.060628149934850 -0.096071475860856  0.000446618716357  0.000000000000000

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

	DPD File2: Cme 0
	DPD Parameters:
	------------------
	pnum = 0   qnum = 1   irrep = 2 
	Irreps = 4

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     3	col =     2
	   Irrep: 1 row =     0	col =     3
	   Irrep: 2 row =     1	col =     6
	   Irrep: 3 row =     1	col =     0

	File 142 DPD File2: Cme 0
	Matrix for Irrep 0
	----------------------------------------

                         0                  1     
                      (  6)              (  7)    

    0  (  0) -0.000617843323889 -0.000991492307906
    1  (  1)  0.009286969747944  0.207797247340211
    2  (  2)  0.000000000000000  0.000000000000000

	File 142 DPD File2: Cme 0
	Matrix for Irrep 1
	----------------------------------------

                         0                  1                  2     
                      (  8)              (  9)              ( 10)    


	File 142 DPD File2: Cme 0
	Matrix for Irrep 2
	----------------------------------------

                         0                  1                  2                  3                  4                  5     
                      (  0)              (  1)              (  2)              (  3)              (  4)              (  5)    

    0  (  3)  0.000000000000000  0.000000000000000  0.000000000000000  0.000000000000000  0.000000000000000  0.000000000000000

	File 142 DPD File2: Cme 0
	Matrix for Irrep 3
	----------------------------------------
resetting norm
Iter=1    L=1   resetting norm
SigmaSS, D(norm sigma)=   0.4071467351
FSD    , D(norm sigma)=   0.0000000000
WamefSD, D(norm sigma)=   0.0000000000
WmnieSD, D(norm sigma)=   0.0000000000
WmaijDS, D(norm sigma)=   0.0621830296
WabejDS, D(norm sigma)=   0.0187977250
WnmjeDS, D(norm sigma)=   0.0013711886
WbmfeDS, D(norm sigma)=   0.0004097452
Fbe_FDD , D(norm sigma)=   0.0000000000
 Fmj_DD, 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
resetting norm
Total sigma0 norm af clean, D(norm sigma)=   0.4899084236
The G Matrix

                0        

    0   0.407146735096835
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.2724734841996
Norm of residual vector 0  after precondition    0.2724734841996
                     1   0.4071467351   4.07e-01    2.72e-01      N
Norm of residual vector af preconditioning    0.1370837169380
Iter=2    L=2   resetting norm
SigmaSS, D(norm sigma)=   0.0000050857
FSD    , D(norm sigma)=   0.0151451633
WamefSD, D(norm sigma)=   0.0677052601
WmnieSD, D(norm sigma)=   0.1616747309
WmaijDS, D(norm sigma)=   0.0000000000
WabejDS, D(norm sigma)=  -0.0000000000
WnmjeDS, D(norm sigma)=   0.0000000000
WbmfeDS, D(norm sigma)=  -0.0000000000
Fbe_FDD , D(norm sigma)=   1.0238480016
 Fmj_DD, D(norm sigma)=   1.1169116710
WmnijDD, D(norm sigma)=   0.4439912561
WabefDD, D(norm sigma)=   0.3846616864
WmbejDD, D(norm sigma)=  -1.4053963757
WmnefDD XAF, D(norm sigma)=   0.0071540795
WmnefDD XLI, D(norm sigma)=   0.0019107241
resetting norm
resetting norm
Total sigma1 norm af clean, D(norm sigma)=   1.8176112831
The G Matrix

                0                  1        

    0   0.407146735096835 -0.234063020132446
    1  -0.232224500499142  1.471837645909216
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0847379027322
Norm of residual vector 0  after precondition    0.0847379027322
                     1   0.3583322712  -4.88e-02    8.47e-02      N
Norm of residual vector af preconditioning    0.0358767955208
Iter=3    L=3   resetting norm
SigmaSS, D(norm sigma)=   0.4130226238
FSD    , D(norm sigma)=   0.0011386447
WamefSD, D(norm sigma)=   0.0039290366
WmnieSD, D(norm sigma)=   0.0631152664
WmaijDS, D(norm sigma)=   0.0155187421
WabejDS, D(norm sigma)=  -0.0026051538
WnmjeDS, D(norm sigma)=  -0.0000259285
WbmfeDS, D(norm sigma)=  -0.0002639818
Fbe_FDD , D(norm sigma)=   1.1767988297
 Fmj_DD, D(norm sigma)=   1.0562137832
WmnijDD, D(norm sigma)=   0.3361952752
WabefDD, D(norm sigma)=   0.3036988195
WmbejDD, D(norm sigma)=  -1.1411000262
WmnefDD XAF, D(norm sigma)=   0.0024378989
WmnefDD XLI, D(norm sigma)=   0.0003800291
resetting norm
resetting norm
Total sigma2 norm af clean, D(norm sigma)=   2.2284538589
The G Matrix

                0                  1                  2        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682
    1  -0.232224500499142  1.471837645909216  0.420835332488815
    2  -0.030789800386053  0.428738280583460  1.328680396193885
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0410563820964
Norm of residual vector 0  after precondition    0.0410563820964
                     1   0.3553632955  -2.97e-03    4.11e-02      N
Norm of residual vector af preconditioning    0.0122760297384
Iter=4    L=4   resetting norm
SigmaSS, D(norm sigma)=   0.9203259086
FSD    , D(norm sigma)=  -0.0014551604
WamefSD, D(norm sigma)=   0.0376258374
WmnieSD, D(norm sigma)=   0.0288559312
WmaijDS, D(norm sigma)=   0.0068807725
WabejDS, D(norm sigma)=   0.0041374211
WnmjeDS, D(norm sigma)=   0.0000477863
WbmfeDS, D(norm sigma)=  -0.0001090249
Fbe_FDD , D(norm sigma)=   1.5908982485
 Fmj_DD, D(norm sigma)=   1.3954089449
WmnijDD, D(norm sigma)=   0.3127362007
WabefDD, D(norm sigma)=   0.2964689186
WmbejDD, D(norm sigma)=  -0.9997462893
WmnefDD XAF, D(norm sigma)=   0.0007213104
WmnefDD XLI, D(norm sigma)=   0.0006465250
resetting norm
resetting norm
Total sigma3 norm af clean, D(norm sigma)=   3.5934433306
The G Matrix

                0                  1                  2                  3        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0252450513977
Norm of residual vector 0  after precondition    0.0252450513977
                     1   0.3550348590  -3.28e-04    2.52e-02      N
Norm of residual vector af preconditioning    0.0062676834673
Iter=5    L=5   resetting norm
SigmaSS, D(norm sigma)=   1.7669922215
FSD    , D(norm sigma)=  -0.0020100878
WamefSD, D(norm sigma)=   0.1058301220
WmnieSD, D(norm sigma)=   0.0109960955
WmaijDS, D(norm sigma)=   0.0048679208
WabejDS, D(norm sigma)=   0.0042537759
WnmjeDS, D(norm sigma)=  -0.0000492063
WbmfeDS, D(norm sigma)=  -0.0000919855
Fbe_FDD , D(norm sigma)=   2.2088857020
 Fmj_DD, D(norm sigma)=   2.0810274644
WmnijDD, D(norm sigma)=   0.3801917031
WabefDD, D(norm sigma)=   0.3070816018
WmbejDD, D(norm sigma)=  -0.9605205901
WmnefDD XAF, D(norm sigma)=   0.0003233177
WmnefDD XLI, D(norm sigma)=   0.0006828730
resetting norm
resetting norm
Total sigma4 norm af clean, D(norm sigma)=   5.9084609278
The G Matrix

                0                  1                  2                  3                  4        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827  0.003294719561188
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277 -0.104126977548131
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494 -0.368950910091138
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254 -1.098264485224117
    4   0.008616675930995 -0.110620359427306 -0.374324584925998 -1.098832681943027  2.385821004066421
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0125599109542
Norm of residual vector 0  after precondition    0.0125599109542
                     1   0.3548626953  -1.72e-04    1.26e-02      N
Norm of residual vector af preconditioning    0.0030082040666
Iter=6    L=6   resetting norm
SigmaSS, D(norm sigma)=   3.2415711903
FSD    , D(norm sigma)=  -0.0006807086
WamefSD, D(norm sigma)=   0.1294519020
WmnieSD, D(norm sigma)=   0.0059657146
WmaijDS, D(norm sigma)=   0.0022793450
WabejDS, D(norm sigma)=   0.0050734574
WnmjeDS, D(norm sigma)=  -0.0000009428
WbmfeDS, D(norm sigma)=   0.0000227670
Fbe_FDD , D(norm sigma)=   2.7826165742
 Fmj_DD, D(norm sigma)=   3.2462910159
WmnijDD, D(norm sigma)=   0.6537588517
WabefDD, D(norm sigma)=   0.3672646908
WmbejDD, D(norm sigma)=  -1.1463620307
WmnefDD XAF, D(norm sigma)=   0.0004372730
WmnefDD XLI, D(norm sigma)=   0.0005705331
resetting norm
resetting norm
Total sigma5 norm af clean, D(norm sigma)=   9.2882596329
The G Matrix

                0                  1                  2                  3                  4        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827  0.003294719561188
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277 -0.104126977548131
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494 -0.368950910091138
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254 -1.098264485224117
    4   0.008616675930995 -0.110620359427306 -0.374324584925998 -1.098832681943027  2.385821004066421
    5   0.011358339646584 -0.111626978368764 -0.341310582723799 -0.929815858153987  2.187173952308585

                5        

    0   0.018403598170817
    1  -0.108099256610640
    2  -0.335763796977341
    3  -0.929193203429620
    4   2.191453037167890
    5   4.449035696197497
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0048474996705
Norm of residual vector 0  after precondition    0.0048474996705
                     1   0.3547750434  -8.77e-05    4.85e-03      N
Norm of residual vector af preconditioning    0.0013046951190
Iter=7    L=7   resetting norm
SigmaSS, D(norm sigma)=   3.4911186306
FSD    , D(norm sigma)=  -0.0003318860
WamefSD, D(norm sigma)=   0.1072866060
WmnieSD, D(norm sigma)=   0.0024137324
WmaijDS, D(norm sigma)=   0.0031633823
WabejDS, D(norm sigma)=   0.0043183442
WnmjeDS, D(norm sigma)=   0.0000326164
WbmfeDS, D(norm sigma)=   0.0000321226
Fbe_FDD , D(norm sigma)=   2.3094805692
 Fmj_DD, D(norm sigma)=   3.9364309224
WmnijDD, D(norm sigma)=   0.9263742177
WabefDD, D(norm sigma)=   0.2899808305
WmbejDD, D(norm sigma)=  -1.0504317933
WmnefDD XAF, D(norm sigma)=   0.0002865427
WmnefDD XLI, D(norm sigma)=   0.0003658561
resetting norm
resetting norm
Total sigma6 norm af clean, D(norm sigma)=  10.0205206938
The G Matrix

                0                  1                  2                  3                  4        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827  0.003294719561188
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277 -0.104126977548131
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494 -0.368950910091138
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254 -1.098264485224117
    4   0.008616675930995 -0.110620359427306 -0.374324584925998 -1.098832681943027  2.385821004066421
    5   0.011358339646584 -0.111626978368764 -0.341310582723799 -0.929815858153987  2.187173952308585
    6   0.029533732324953 -0.223928788970810 -0.427374035692305 -0.759625983027283  1.547180680962409

                5                  6        

    0   0.018403598170817  0.034808767711418
    1  -0.108099256610640 -0.223188583663309
    2  -0.335763796977341 -0.425936980060540
    3  -0.929193203429620 -0.764204745468388
    4   2.191453037167890  1.551360271673092
    5   4.449035696197497  3.376786832759661
    6   3.380700746347372  4.755771509241745
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0021904536853
Norm of residual vector 0  after precondition    0.0021904536853
                     1   0.3547576533  -1.74e-05    2.19e-03      N
Norm of residual vector af preconditioning    0.0006129118179
Iter=8    L=8   resetting norm
SigmaSS, D(norm sigma)=   3.7729475854
FSD    , D(norm sigma)=  -0.0001828866
WamefSD, D(norm sigma)=   0.0936882480
WmnieSD, D(norm sigma)=   0.0124243858
WmaijDS, D(norm sigma)=   0.0071302803
WabejDS, D(norm sigma)=   0.0029887893
WnmjeDS, D(norm sigma)=   0.0000237915
WbmfeDS, D(norm sigma)=   0.0000055497
Fbe_FDD , D(norm sigma)=   2.4584921628
 Fmj_DD, D(norm sigma)=   6.4540241608
WmnijDD, D(norm sigma)=   1.5000053412
WabefDD, D(norm sigma)=   0.2873315610
WmbejDD, D(norm sigma)=  -1.2655036610
WmnefDD XAF, D(norm sigma)=   0.0001772654
WmnefDD XLI, D(norm sigma)=   0.0001496057
resetting norm
resetting norm
Total sigma7 norm af clean, D(norm sigma)=  13.3237021792
The G Matrix

                0                  1                  2                  3                  4        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827  0.003294719561188
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277 -0.104126977548131
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494 -0.368950910091138
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254 -1.098264485224117
    4   0.008616675930995 -0.110620359427306 -0.374324584925998 -1.098832681943027  2.385821004066421
    5   0.011358339646584 -0.111626978368764 -0.341310582723799 -0.929815858153987  2.187173952308585
    6   0.029533732324953 -0.223928788970810 -0.427374035692305 -0.759625983027283  1.547180680962409
    7  -0.022882685596632  0.136820055338340  0.254482469716779  0.797487247850175 -1.717794661128501

                5                  6                  7        

    0   0.018403598170817  0.034808767711418 -0.021424415380801
    1  -0.108099256610640 -0.223188583663309  0.133783947328226
    2  -0.335763796977341 -0.425936980060540  0.253648903636379
    3  -0.929193203429620 -0.764204745468388  0.795965607787395
    4   2.191453037167890  1.551360271673092 -1.720498820327605
    5   4.449035696197497  3.376786832759661 -3.418088824368530
    6   3.380700746347372  4.755771509241745 -4.871530993696361
    7  -3.411439816979951 -4.873639988030775  7.556467201195135
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0008829581914
Norm of residual vector 0  after precondition    0.0008829581914
                     1   0.3547554329  -2.22e-06    8.83e-04      N
Norm of residual vector af preconditioning    0.0002821766383
Iter=9    L=9   resetting norm
SigmaSS, D(norm sigma)=   2.2452352518
FSD    , D(norm sigma)=  -0.0004592603
WamefSD, D(norm sigma)=   0.0428872484
WmnieSD, D(norm sigma)=   0.0512739045
WmaijDS, D(norm sigma)=   0.0041558850
WabejDS, D(norm sigma)=   0.0019864347
WnmjeDS, D(norm sigma)=   0.0000218925
WbmfeDS, D(norm sigma)=   0.0000058560
Fbe_FDD , D(norm sigma)=   2.5564742533
 Fmj_DD, D(norm sigma)=   9.0954449197
WmnijDD, D(norm sigma)=   1.9116357712
WabefDD, D(norm sigma)=   0.2814954877
WmbejDD, D(norm sigma)=  -1.4929625275
WmnefDD XAF, D(norm sigma)=   0.0001916310
WmnefDD XLI, D(norm sigma)=   0.0000611013
resetting norm
resetting norm
Total sigma8 norm af clean, D(norm sigma)=  14.6974478492
The G Matrix

                0                  1                  2                  3                  4        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827  0.003294719561188
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277 -0.104126977548131
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494 -0.368950910091138
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254 -1.098264485224117
    4   0.008616675930995 -0.110620359427306 -0.374324584925998 -1.098832681943027  2.385821004066421
    5   0.011358339646584 -0.111626978368764 -0.341310582723799 -0.929815858153987  2.187173952308585
    6   0.029533732324953 -0.223928788970810 -0.427374035692305 -0.759625983027283  1.547180680962409
    7  -0.022882685596632  0.136820055338340  0.254482469716779  0.797487247850175 -1.717794661128501
    8   0.004740153406233 -0.052622724093520 -0.190725984408518 -0.583817399004891  1.342275129749375

                5                  6                  7                  8        

    0   0.018403598170817  0.034808767711418 -0.021424415380801  0.005547995355414
    1  -0.108099256610640 -0.223188583663309  0.133783947328226 -0.056004223822897
    2  -0.335763796977341 -0.425936980060540  0.253648903636379 -0.194741628525632
    3  -0.929193203429620 -0.764204745468388  0.795965607787395 -0.582991417267685
    4   2.191453037167890  1.551360271673092 -1.720498820327605  1.336956031700805
    5   4.449035696197497  3.376786832759661 -3.418088824368530  2.810689296473007
    6   3.380700746347372  4.755771509241745 -4.871530993696361  4.101435340823114
    7  -3.411439816979951 -4.873639988030775  7.556467201195135 -7.128282783855273
    8   2.813215321640255  4.102661112785013 -7.126577101659201  9.489508056189548
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0003933047803
Norm of residual vector 0  after precondition    0.0003933047803
                     1   0.3547547520  -6.81e-07    3.93e-04      N
Norm of residual vector af preconditioning    0.0001070320511
Iter=10   L=10  resetting norm
SigmaSS, D(norm sigma)=   1.3684710667
FSD    , D(norm sigma)=   0.0001192008
WamefSD, D(norm sigma)=   0.0080113551
WmnieSD, D(norm sigma)=   0.0437069136
WmaijDS, D(norm sigma)=   0.0066941209
WabejDS, D(norm sigma)=   0.0011617880
WnmjeDS, D(norm sigma)=   0.0000276652
WbmfeDS, D(norm sigma)=  -0.0000270786
Fbe_FDD , D(norm sigma)=   0.9860015336
 Fmj_DD, D(norm sigma)=   7.1684901735
WmnijDD, D(norm sigma)=   1.3944459447
WabefDD, D(norm sigma)=   0.1852124939
WmbejDD, D(norm sigma)=  -1.1141834429
WmnefDD XAF, D(norm sigma)=   0.0001121507
WmnefDD XLI, D(norm sigma)=   0.0000303445
resetting norm
resetting norm
Total sigma9 norm af clean, D(norm sigma)=  10.0482742298
The G Matrix

                0                  1                  2                  3                  4        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827  0.003294719561188
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277 -0.104126977548131
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494 -0.368950910091138
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254 -1.098264485224117
    4   0.008616675930995 -0.110620359427306 -0.374324584925998 -1.098832681943027  2.385821004066421
    5   0.011358339646584 -0.111626978368764 -0.341310582723799 -0.929815858153987  2.187173952308585
    6   0.029533732324953 -0.223928788970810 -0.427374035692305 -0.759625983027283  1.547180680962409
    7  -0.022882685596632  0.136820055338340  0.254482469716779  0.797487247850175 -1.717794661128501
    8   0.004740153406233 -0.052622724093520 -0.190725984408518 -0.583817399004891  1.342275129749375
    9  -0.005019679961418  0.016867538601371 -0.064747446713608 -0.299578092609981  0.673469591080306

                5                  6                  7                  8                  9        

    0   0.018403598170817  0.034808767711418 -0.021424415380801  0.005547995355414 -0.010806421613313
    1  -0.108099256610640 -0.223188583663309  0.133783947328226 -0.056004223822897  0.011500022774330
    2  -0.335763796977341 -0.425936980060540  0.253648903636379 -0.194741628525632 -0.067097316992577
    3  -0.929193203429620 -0.764204745468388  0.795965607787395 -0.582991417267685 -0.297400593914143
    4   2.191453037167890  1.551360271673092 -1.720498820327605  1.336956031700805  0.671768335958503
    5   4.449035696197497  3.376786832759661 -3.418088824368530  2.810689296473007  1.460855243341276
    6   3.380700746347372  4.755771509241745 -4.871530993696361  4.101435340823114  2.231364845267699
    7  -3.411439816979951 -4.873639988030775  7.556467201195135 -7.128282783855273 -3.742122038858954
    8   2.813215321640255  4.102661112785013 -7.126577101659201  9.489508056189548  5.354023241983931
    9   1.461032257569882  2.229511075875089 -3.743826375583194  5.356062963422970  5.150801995158413
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001848009595
Norm of residual vector 0  after precondition    0.0001848009595
                     1   0.3547556403   8.88e-07    1.85e-04      N
Norm of residual vector af preconditioning    0.0000396046983
Iter=11   L=11  resetting norm
SigmaSS, D(norm sigma)=   5.1455250267
FSD    , D(norm sigma)=  -0.0003384785
WamefSD, D(norm sigma)=   0.1154339304
WmnieSD, D(norm sigma)=  -0.0074916393
WmaijDS, D(norm sigma)=   0.0022642081
WabejDS, D(norm sigma)=   0.0047469167
WnmjeDS, D(norm sigma)=   0.0000040666
WbmfeDS, D(norm sigma)=   0.0000502727
Fbe_FDD , D(norm sigma)=   1.5611811990
 Fmj_DD, D(norm sigma)=   3.9423625183
WmnijDD, D(norm sigma)=   0.9449074119
WabefDD, D(norm sigma)=   0.2444099485
WmbejDD, D(norm sigma)=  -0.8960180735
WmnefDD XAF, D(norm sigma)=   0.0002041485
WmnefDD XLI, D(norm sigma)=   0.0003042916
resetting norm
resetting norm
Total sigma10 norm af clean, D(norm sigma)=  11.0575457477
The G Matrix

                0                  1                  2                  3                  4        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827  0.003294719561188
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277 -0.104126977548131
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494 -0.368950910091138
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254 -1.098264485224117
    4   0.008616675930995 -0.110620359427306 -0.374324584925998 -1.098832681943027  2.385821004066421
    5   0.011358339646584 -0.111626978368764 -0.341310582723799 -0.929815858153987  2.187173952308585
    6   0.029533732324953 -0.223928788970810 -0.427374035692305 -0.759625983027283  1.547180680962409
    7  -0.022882685596632  0.136820055338340  0.254482469716779  0.797487247850175 -1.717794661128501
    8   0.004740153406233 -0.052622724093520 -0.190725984408518 -0.583817399004891  1.342275129749375
    9  -0.005019679961418  0.016867538601371 -0.064747446713608 -0.299578092609981  0.673469591080306
   10  -0.006431114339243  0.047614650777123  0.103282839450714  0.234204789462183 -0.391094018442056

                5                  6                  7                  8                  9        

    0   0.018403598170817  0.034808767711418 -0.021424415380801  0.005547995355414 -0.010806421613313
    1  -0.108099256610640 -0.223188583663309  0.133783947328226 -0.056004223822897  0.011500022774330
    2  -0.335763796977341 -0.425936980060540  0.253648903636379 -0.194741628525632 -0.067097316992577
    3  -0.929193203429620 -0.764204745468388  0.795965607787395 -0.582991417267685 -0.297400593914143
    4   2.191453037167890  1.551360271673092 -1.720498820327605  1.336956031700805  0.671768335958503
    5   4.449035696197497  3.376786832759661 -3.418088824368530  2.810689296473007  1.460855243341276
    6   3.380700746347372  4.755771509241745 -4.871530993696361  4.101435340823114  2.231364845267699
    7  -3.411439816979951 -4.873639988030775  7.556467201195135 -7.128282783855273 -3.742122038858954
    8   2.813215321640255  4.102661112785013 -7.126577101659201  9.489508056189548  5.354023241983931
    9   1.461032257569882  2.229511075875089 -3.743826375583194  5.356062963422970  5.150801995158413
   10  -0.408065793408923  0.148072288546421 -1.149354468622645  2.640961222574312  3.457437570197474

               10        

    0  -0.009325515376245
    1   0.047551939294733
    2   0.103292503803039
    3   0.232614227989007
    4  -0.391389431284402
    5  -0.409683125655772
    6   0.150394002353631
    7  -1.147673883135493
    8   2.639972316268275
    9   3.456631053471681
   10   5.866558675622650
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000598315668
Norm of residual vector 0  after precondition    0.0000598315668
                     1   0.3547558871   2.47e-07    5.98e-05      N
Norm of residual vector af preconditioning    0.0000141333840
Iter=12   L=12  resetting norm
SigmaSS, D(norm sigma)=   7.2161039114
FSD    , D(norm sigma)=  -0.0005072307
WamefSD, D(norm sigma)=   0.1805036803
WmnieSD, D(norm sigma)=  -0.0202550494
WmaijDS, D(norm sigma)=   0.0019478368
WabejDS, D(norm sigma)=   0.0107556004
WnmjeDS, D(norm sigma)=  -0.0000024464
WbmfeDS, D(norm sigma)=   0.0001006038
Fbe_FDD , D(norm sigma)=   3.1862852294
 Fmj_DD, D(norm sigma)=   3.9436272155
WmnijDD, D(norm sigma)=   1.0098407448
WabefDD, D(norm sigma)=   0.3893715434
WmbejDD, D(norm sigma)=  -0.9342363212
WmnefDD XAF, D(norm sigma)=   0.0002690908
WmnefDD XLI, D(norm sigma)=   0.0003980070
resetting norm
resetting norm
Total sigma11 norm af clean, D(norm sigma)=  14.9842024159
The G Matrix

                0                  1                  2                  3                  4        

    0   0.407146735096835 -0.234063020132446 -0.045145735424682 -0.007490026086827  0.003294719561188
    1  -0.232224500499142  1.471837645909216  0.420835332488815  0.095960037591277 -0.104126977548131
    2  -0.030789800386053  0.428738280583460  1.328680396193885  0.532152985133494 -0.368950910091138
    3  -0.010309234544458  0.108559223311601  0.535331900570793  1.579256867449254 -1.098264485224117
    4   0.008616675930995 -0.110620359427306 -0.374324584925998 -1.098832681943027  2.385821004066421
    5   0.011358339646584 -0.111626978368764 -0.341310582723799 -0.929815858153987  2.187173952308585
    6   0.029533732324953 -0.223928788970810 -0.427374035692305 -0.759625983027283  1.547180680962409
    7  -0.022882685596632  0.136820055338340  0.254482469716779  0.797487247850175 -1.717794661128501
    8   0.004740153406233 -0.052622724093520 -0.190725984408518 -0.583817399004891  1.342275129749375
    9  -0.005019679961418  0.016867538601371 -0.064747446713608 -0.299578092609981  0.673469591080306
   10  -0.006431114339243  0.047614650777123  0.103282839450714  0.234204789462183 -0.391094018442056
   11   0.004409374490911 -0.042956405239975 -0.163562061571589 -0.494230539244910  0.902656162413525

                5                  6                  7                  8                  9        

    0   0.018403598170817  0.034808767711418 -0.021424415380801  0.005547995355414 -0.010806421613313
    1  -0.108099256610640 -0.223188583663309  0.133783947328226 -0.056004223822897  0.011500022774330
    2  -0.335763796977341 -0.425936980060540  0.253648903636379 -0.194741628525632 -0.067097316992577
    3  -0.929193203429620 -0.764204745468388  0.795965607787395 -0.582991417267685 -0.297400593914143
    4   2.191453037167890  1.551360271673092 -1.720498820327605  1.336956031700805  0.671768335958503
    5   4.449035696197497  3.376786832759661 -3.418088824368530  2.810689296473007  1.460855243341276
    6   3.380700746347372  4.755771509241745 -4.871530993696361  4.101435340823114  2.231364845267699
    7  -3.411439816979951 -4.873639988030775  7.556467201195135 -7.128282783855273 -3.742122038858954
    8   2.813215321640255  4.102661112785013 -7.126577101659201  9.489508056189548  5.354023241983931
    9   1.461032257569882  2.229511075875089 -3.743826375583194  5.356062963422970  5.150801995158413
   10  -0.408065793408923  0.148072288546421 -1.149354468622645  2.640961222574312  3.457437570197474
   11   1.363544600548676  1.129971015133273 -0.621115440079979 -0.833574691010927 -2.337807534668872

               10                 11        

    0  -0.009325515376245  0.006503639098026
    1   0.047551939294733 -0.042696224420172
    2   0.103292503803039 -0.165560998568450
    3   0.232614227989007 -0.492631505827283
    4  -0.391389431284402  0.900096486313099
    5  -0.409683125655772  1.362460253941554
    6   0.150394002353631  1.130963414094561
    7  -1.147673883135493 -0.625009447483413
    8   2.639972316268275 -0.834831195225643
    9   3.456631053471681 -2.334815187417545
   10   5.866558675622650 -5.617633186769755
   11  -5.617139931524633  8.963179458398669
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000208123319
Norm of residual vector 0  after precondition    0.0000208123319
                     1   0.3547559156   2.85e-08    2.08e-05      N
Norm of residual vector af preconditioning    0.0000051254598
alpha

           1           2           3           4           5           6           7           8           9          10

    1  -0.9677435   0.0202436   0.0973256   0.0611190  -0.1038079   0.1161213  -0.0727661  -0.1193358   0.0080087  -0.0110772
    2  -0.2322134  -0.0113545  -0.1230089  -0.1856712   0.3462947  -0.4747398   0.3464572   0.6321555  -0.0969876   0.0760916
    3   0.0868265  -0.1022150   0.3783857   0.4286764  -0.4982935   0.1923562   0.0815998   0.5057636  -0.2751541   0.1595605
    4  -0.0393157  -0.1495590  -0.6162951  -0.1957852   0.0002941   0.4188721  -0.2705633   0.1644304  -0.4408092   0.2765489
    5  -0.0199445  -0.3643232  -0.5018496   0.1261140  -0.3588914   0.0663710   0.2816113   0.1309557   0.3764276  -0.4355337
    6   0.0072206   0.3288405   0.2103539  -0.3106514   0.1295748   0.4146265  -0.1294994   0.3355860  -0.0834400  -0.5447919
    7  -0.0034895  -0.5511721   0.1032083   0.1864996   0.1994204  -0.2987425  -0.3234413  -0.1128414  -0.4223042  -0.2418362
    8  -0.0015492  -0.5177361   0.2483252  -0.0673448   0.3314379   0.2642898  -0.1907714   0.2097515   0.3308498  -0.1082214
    9  -0.0005878  -0.3194046   0.2084086  -0.2548854   0.1270779   0.3210975   0.3440182  -0.0733052   0.1764440   0.4240262
   10   0.0002340   0.2085848  -0.1757974   0.5063148   0.2770516   0.0165459  -0.4171403   0.2676588   0.3962723   0.1386645
   11  -0.0000719  -0.0889780   0.0937365  -0.4740824  -0.4369976  -0.2907579  -0.3662738   0.1213100   0.1217509  -0.0750238
   12  -0.0000169  -0.0221961   0.0292678  -0.2046793  -0.2047482  -0.1592142  -0.3622366   0.1583572   0.2847048   0.3616757

          11          12

    1  -0.0022875  -0.0012067
    2   0.0143296   0.0096101
    3   0.0352828   0.0241875
    4   0.0839102   0.0632531
    5  -0.1557652  -0.1342665
    6  -0.2451936  -0.2643406
    7  -0.2134006  -0.3470977
    8   0.1636061   0.5116382
    9   0.0143136  -0.5807888
   10   0.2035558  -0.3740987
   11   0.5241605  -0.2027418
   12  -0.7200210   0.0824411
alpha_old

           1           2           3           4           5           6           7           8           9          10

    1   0.9677434  -0.0212225   0.0976864  -0.0916446  -0.0977153  -0.1087648   0.1190530   0.0585950   0.0084153  -0.0054231
    2   0.2322138   0.0121037  -0.1246931   0.2911481   0.3442313   0.4674913  -0.5949899  -0.3583878  -0.0702644   0.0333180
    3  -0.0868264   0.1024770   0.3880454  -0.5676122  -0.3575940  -0.1049286  -0.3298447  -0.4666996  -0.1724812   0.0715424
    4   0.0393153   0.1525202  -0.6210608   0.1797171  -0.1561509  -0.4316037   0.1397536  -0.4652649  -0.2991157   0.1483834
    5   0.0199443   0.3692557  -0.4981262  -0.2547145  -0.3141886   0.0694709  -0.3494377   0.2488238   0.4242086  -0.2665369
    6  -0.0072210  -0.3342084   0.1998044   0.3616926  -0.1224849  -0.3981378  -0.1452386  -0.3091991   0.4371786  -0.3995357
    7   0.0034894   0.5553706   0.1179221  -0.1017474   0.3527324   0.1361256   0.4283734  -0.3532837   0.0767651  -0.2991909
    8   0.0015457   0.5159838   0.2552141   0.2057137   0.2249569  -0.4009062  -0.2038489   0.0849041   0.2758482   0.1545870
    9   0.0005860   0.3172341   0.2092481   0.3427866  -0.1736067  -0.1622134  -0.2493834   0.3186610  -0.3997126   0.1612155
   10  -0.0002276  -0.1970568  -0.1584545  -0.4022419   0.5625949  -0.3703539  -0.1799426   0.0632259   0.1549135   0.3601655
   11   0.0000507   0.0587323   0.0512764   0.1570966  -0.2903529   0.2574087   0.2016290  -0.1968932   0.4888155   0.6869730

          11

    1   0.0012870
    2  -0.0101240
    3  -0.0255887
    4  -0.0668347
    5   0.1409659
    6   0.2750046
    7   0.3567614
    8  -0.5195550
    9   0.5809799
   10   0.3649496
   11   0.1770120
alpha_tot

           1           2           3           4           5           6           7           8           9          10

    1  -0.9677435   0.9677434   0.0202436   0.0973256   0.0611190  -0.1038079   0.1161213  -0.0727661  -0.1193358   0.0080087
    2  -0.2322134   0.2322138  -0.0113545  -0.1230089  -0.1856712   0.3462947  -0.4747398   0.3464572   0.6321555  -0.0969876
    3   0.0868265  -0.0868264  -0.1022150   0.3783857   0.4286764  -0.4982935   0.1923562   0.0815998   0.5057636  -0.2751541
    4  -0.0393157   0.0393153  -0.1495590  -0.6162951  -0.1957852   0.0002941   0.4188721  -0.2705633   0.1644304  -0.4408092
    5  -0.0199445   0.0199443  -0.3643232  -0.5018496   0.1261140  -0.3588914   0.0663710   0.2816113   0.1309557   0.3764276
    6   0.0072206  -0.0072210   0.3288405   0.2103539  -0.3106514   0.1295748   0.4146265  -0.1294994   0.3355860  -0.0834400
    7  -0.0034895   0.0034894  -0.5511721   0.1032083   0.1864996   0.1994204  -0.2987425  -0.3234413  -0.1128414  -0.4223042
    8  -0.0015492   0.0015457  -0.5177361   0.2483252  -0.0673448   0.3314379   0.2642898  -0.1907714   0.2097515   0.3308498
    9  -0.0005878   0.0005860  -0.3194046   0.2084086  -0.2548854   0.1270779   0.3210975   0.3440182  -0.0733052   0.1764440
   10   0.0002340  -0.0002276   0.2085848  -0.1757974   0.5063148   0.2770516   0.0165459  -0.4171403   0.2676588   0.3962723
   11  -0.0000719   0.0000507  -0.0889780   0.0937365  -0.4740824  -0.4369976  -0.2907579  -0.3662738   0.1213100   0.1217509
   12  -0.0000169   0.0000000  -0.0221961   0.0292678  -0.2046793  -0.2047482  -0.1592142  -0.3622366   0.1583572   0.2847048

          11          12          13          14          15          16          17          18          19          20

    1  -0.0110772  -0.0022875  -0.0012067  -0.0212225   0.0976864  -0.0916446  -0.0977153  -0.1087648   0.1190530   0.0585950
    2   0.0760916   0.0143296   0.0096101   0.0121037  -0.1246931   0.2911481   0.3442313   0.4674913  -0.5949899  -0.3583878
    3   0.1595605   0.0352828   0.0241875   0.1024770   0.3880454  -0.5676122  -0.3575940  -0.1049286  -0.3298447  -0.4666996
    4   0.2765489   0.0839102   0.0632531   0.1525202  -0.6210608   0.1797171  -0.1561509  -0.4316037   0.1397536  -0.4652649
    5  -0.4355337  -0.1557652  -0.1342665   0.3692557  -0.4981262  -0.2547145  -0.3141886   0.0694709  -0.3494377   0.2488238
    6  -0.5447919  -0.2451936  -0.2643406  -0.3342084   0.1998044   0.3616926  -0.1224849  -0.3981378  -0.1452386  -0.3091991
    7  -0.2418362  -0.2134006  -0.3470977   0.5553706   0.1179221  -0.1017474   0.3527324   0.1361256   0.4283734  -0.3532837
    8  -0.1082214   0.1636061   0.5116382   0.5159838   0.2552141   0.2057137   0.2249569  -0.4009062  -0.2038489   0.0849041
    9   0.4240262   0.0143136  -0.5807888   0.3172341   0.2092481   0.3427866  -0.1736067  -0.1622134  -0.2493834   0.3186610
   10   0.1386645   0.2035558  -0.3740987  -0.1970568  -0.1584545  -0.4022419   0.5625949  -0.3703539  -0.1799426   0.0632259
   11  -0.0750238   0.5241605  -0.2027418   0.0587323   0.0512764   0.1570966  -0.2903529   0.2574087   0.2016290  -0.1968932
   12   0.3616757  -0.7200210   0.0824411   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

          21          22          23

    1   0.0084153  -0.0054231   0.0012870
    2  -0.0702644   0.0333180  -0.0101240
    3  -0.1724812   0.0715424  -0.0255887
    4  -0.2991157   0.1483834  -0.0668347
    5   0.4242086  -0.2665369   0.1409659
    6   0.4371786  -0.3995357   0.2750046
    7   0.0767651  -0.2991909   0.3567614
    8   0.2758482   0.1545870  -0.5195550
    9  -0.3997126   0.1612155   0.5809799
   10   0.1549135   0.3601655   0.3649496
   11   0.4888155   0.6869730   0.1770120
   12   0.0000000   0.0000000   0.0000000
Iter=13   L=2   The G Matrix

                0                  1        

    0   0.354755915591570  0.001035078692905
    1   0.000000000008666  1.179168071229303
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000208123098
Norm of residual vector 0  after precondition    0.0000208123098
                     1   0.3547559156  -1.06e-14    2.08e-05      N
Norm of residual vector af preconditioning    0.0000051254604
Iter=14   L=3   resetting norm
SigmaSS, D(norm sigma)=   0.8196449335
FSD    , D(norm sigma)=   0.0007210433
WamefSD, D(norm sigma)=  -0.0235373319
WmnieSD, D(norm sigma)=   0.0028288287
WmaijDS, D(norm sigma)=   0.0121528763
WabejDS, D(norm sigma)=  -0.0027254113
WnmjeDS, D(norm sigma)=   0.0001105885
WbmfeDS, D(norm sigma)=  -0.0000227053
Fbe_FDD , D(norm sigma)=   1.5402489434
 Fmj_DD, D(norm sigma)=   3.0157292781
WmnijDD, D(norm sigma)=   0.7092559141
WabefDD, D(norm sigma)=   0.2006254197
WmbejDD, D(norm sigma)=  -0.6872089743
WmnefDD XAF, D(norm sigma)=   0.0003147908
WmnefDD XLI, D(norm sigma)=   0.0000131955
resetting norm
resetting norm
Total sigma2 norm af clean, D(norm sigma)=   5.5881513890
The G Matrix

                0                  1                  2        

    0   0.354755915591570  0.001035078692905 -0.007233933729438
    1   0.000000000008666  1.179168071229303  0.716423669931798
    2   0.000010473752919  0.714142814959793  2.348486969225686
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000079340734
Norm of residual vector 0  after precondition    0.0000079340734
                     1   0.3547559776   6.20e-08    7.93e-06      N
Norm of residual vector af preconditioning    0.0000019312574
Iter=15   L=4   resetting norm
SigmaSS, D(norm sigma)=   2.7426118252
FSD    , D(norm sigma)=  -0.0003359735
WamefSD, D(norm sigma)=   0.0090219250
WmnieSD, D(norm sigma)=  -0.0042931726
WmaijDS, D(norm sigma)=   0.0052932509
WabejDS, D(norm sigma)=   0.0023148771
WnmjeDS, D(norm sigma)=   0.0000194564
WbmfeDS, D(norm sigma)=   0.0000067318
Fbe_FDD , D(norm sigma)=   0.7091550339
 Fmj_DD, D(norm sigma)=   4.9179230166
WmnijDD, D(norm sigma)=   1.0639115630
WabefDD, D(norm sigma)=   0.1745801504
WmbejDD, D(norm sigma)=  -0.7404818611
WmnefDD XAF, D(norm sigma)=   0.0001596685
WmnefDD XLI, D(norm sigma)=   0.0000471397
resetting norm
resetting norm
Total sigma3 norm af clean, D(norm sigma)=   8.8799336313
The G Matrix

                0                  1                  2                  3        

    0   0.354755915591570  0.001035078692905 -0.007233933729438 -0.001680069758866
    1   0.000000000008666  1.179168071229303  0.716423669931798  0.446980217951612
    2   0.000010473752919  0.714142814959793  2.348486969225686  2.029306141156364
    3   0.000008078982828  0.446579816407678  2.029609849383497  4.284733805161545
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000031883932
Norm of residual vector 0  after precondition    0.0000031883932
                     1   0.3547559969   1.93e-08    3.19e-06      N
Norm of residual vector af preconditioning    0.0000009047878
Iter=16   L=5   resetting norm
SigmaSS, D(norm sigma)=   4.1093218063
FSD    , D(norm sigma)=  -0.0004744264
WamefSD, D(norm sigma)=   0.0548894585
WmnieSD, D(norm sigma)=  -0.0023454159
WmaijDS, D(norm sigma)=   0.0034419242
WabejDS, D(norm sigma)=   0.0032857571
WnmjeDS, D(norm sigma)=  -0.0000041132
WbmfeDS, D(norm sigma)=  -0.0000228932
Fbe_FDD , D(norm sigma)=   0.5794290530
 Fmj_DD, D(norm sigma)=   6.1043372067
WmnijDD, D(norm sigma)=   1.3122561873
WabefDD, D(norm sigma)=   0.1564841659
WmbejDD, D(norm sigma)=  -0.7660611067
WmnefDD XAF, D(norm sigma)=   0.0001099073
WmnefDD XLI, D(norm sigma)=   0.0000456092
resetting norm
resetting norm
Total sigma4 norm af clean, D(norm sigma)=  11.5546931201
The G Matrix

                0                  1                  2                  3                  4        

    0   0.354755915591570  0.001035078692905 -0.007233933729438 -0.001680069758866 -0.007693269678844
    1   0.000000000008666  1.179168071229303  0.716423669931798  0.446980217951612 -0.472688346310331
    2   0.000010473752919  0.714142814959793  2.348486969225686  2.029306141156364 -1.722852221879881
    3   0.000008078982828  0.446579816407678  2.029609849383497  4.284733805161545 -4.072934777435122
    4  -0.000006071465206 -0.473951281829607 -1.720988004728799 -4.078045002747161  6.265586685001748
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000013707675
Norm of residual vector 0  after precondition    0.0000013707675
                     1   0.3547559902  -6.71e-09    1.37e-06      N
Norm of residual vector af preconditioning    0.0000003649986
Iter=17   L=6   resetting norm
SigmaSS, D(norm sigma)=   4.0519571641
FSD    , D(norm sigma)=  -0.0002784242
WamefSD, D(norm sigma)=   0.1060129409
WmnieSD, D(norm sigma)=  -0.0096975369
WmaijDS, D(norm sigma)=   0.0019481310
WabejDS, D(norm sigma)=   0.0052999066
WnmjeDS, D(norm sigma)=   0.0000248839
WbmfeDS, D(norm sigma)=   0.0000390990
Fbe_FDD , D(norm sigma)=   1.6020722674
 Fmj_DD, D(norm sigma)=   6.1988949014
WmnijDD, D(norm sigma)=   1.3807423249
WabefDD, D(norm sigma)=   0.2185355706
WmbejDD, D(norm sigma)=  -0.8709547038
WmnefDD XAF, D(norm sigma)=   0.0002547316
WmnefDD XLI, D(norm sigma)=   0.0002151683
resetting norm
resetting norm
Total sigma5 norm af clean, D(norm sigma)=  12.6850664249
The G Matrix

                0                  1                  2                  3                  4        

    0   0.354755915591570  0.001035078692905 -0.007233933729438 -0.001680069758866 -0.007693269678844
    1   0.000000000008666  1.179168071229303  0.716423669931798  0.446980217951612 -0.472688346310331
    2   0.000010473752919  0.714142814959793  2.348486969225686  2.029306141156364 -1.722852221879881
    3   0.000008078982828  0.446579816407678  2.029609849383497  4.284733805161545 -4.072934777435122
    4  -0.000006071465206 -0.473951281829607 -1.720988004728799 -4.078045002747161  6.265586685001748
    5   0.000005954077781  0.399324015268519  1.527850932885310  3.410992973208617 -5.455053866939640

                5        

    0  -0.000647207863380
    1   0.400056730874518
    2   1.524834564516066
    3   3.412665363334769
    4  -5.455528598267678
    5   7.114510885331938
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000006011706
Norm of residual vector 0  after precondition    0.0000006011706
                     1   0.3547559860  -4.15e-09    6.01e-07      Y
Collapsing to only 1 vector(s).
alpha

           1           2           3           4           5           6

    1   1.0000000  -0.0009977  -0.0139595   0.0047692  -0.0021604   0.0001286
    2   0.0000085   0.4281926  -0.6717849  -0.5376865   0.2636445   0.0621487
    3  -0.0000117  -0.5268299   0.2838125  -0.4538514   0.6175486   0.2226160
    4   0.0000046   0.5599344   0.2686161   0.4076494   0.4962244   0.4484207
    5   0.0000019   0.4422173   0.5487593  -0.3744406   0.0655466  -0.6045165
    6   0.0000005   0.1732561   0.3076839  -0.4455397  -0.5464299   0.6164888
alpha_old

           1           2           3           4           5

    1   1.0000000  -0.0079843  -0.0071005   0.0053809   0.0002423
    2   0.0000084  -0.5214541  -0.7346805  -0.4245215   0.0909473
    3  -0.0000115   0.5968426   0.0384667  -0.7351899   0.3151976
    4   0.0000043  -0.5518302   0.5587983  -0.1625183   0.5980790
    5   0.0000013  -0.2593921   0.3826995  -0.5028281  -0.7312185
alpha_tot

           1           2           3           4           5           6

    1   1.0000000  -0.0009977  -0.0139595   0.0047692  -0.0021604   0.0001286
    2   0.0000085   0.4281926  -0.6717849  -0.5376865   0.2636445   0.0621487
    3  -0.0000117  -0.5268299   0.2838125  -0.4538514   0.6175486   0.2226160
    4   0.0000046   0.5599344   0.2686161   0.4076494   0.4962244   0.4484207
    5   0.0000019   0.4422173   0.5487593  -0.3744406   0.0655466  -0.6045165
    6   0.0000005   0.1732561   0.3076839  -0.4455397  -0.5464299   0.6164888

Procedure converged for 1 root(s).
<R|R> =   1.0000000000000000
EOM CCSD R0 for root 0 =   0.00000000000

Final Energetic Summary for Converged Roots of Irrep A1 
                     Excitation Energy              Total Energy
                (eV)     (cm^-1)     (au)             (au)
EOM State 2      9.653    77859.9   0.3547559860   -38.6330680540

Largest components of excited wave function #2:
	RIA alpha
	          3   0        -0.9128835915
	          3   1         0.2314939289
	          3   3         0.0898595157
	          3   2         0.0359046108
	          2   6        -0.0167383311
	Ria beta
	          1   7        -0.2017390912
	          1   6        -0.0096057376
	          0   7         0.0008519092
	          0   6         0.0006005144
	RIJAB alpha
	  2   3   0   1         0.0416020533
	  2   3   1   0        -0.0416020533
	  3   2   0   1        -0.0416020533
	  3   2   1   0         0.0416020533
	  2   3   8   9        -0.0296685530
	Rijab beta
	  4   1   9   6        -0.0043095488
	  4   1   9   7        -0.0014032531
	  4   1   8   7         0.0012615853
	  4   1  10   7        -0.0006375637
	  4   1  10   6        -0.0005925157
	RIjAb alpha,beta
	  3   1   0   5         0.0981114997
	  3   4   0   9         0.0849924275
	  3   1   0   0         0.0717283744
	  3   1   1   5        -0.0640970150
	  3   4   8   5        -0.0615233068

	Total # of sigma evaluations: 31
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:29:33 2008

user time   =       0.44 seconds =       0.01 minutes
system time =       0.33 seconds =       0.01 minutes
total time  =          1 seconds =       0.02 minutes

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

PSI3 stopped on augustus.chemistry.gatech.edu at Wed Mar 12 18:29:33 2008

Total PSI3 wall time          2 seconds =       0.03 minutes
******************************************************************************