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******************************************************************************
PSI3 started on augustus.chemistry.gatech.edu at Wed Mar 12 18:36:33 2008

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

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

PSI3 will perform a RHF EOM_CCSD one-electron properties computation.

The following programs will be executed:

 input
 cints
 cscf
 transqt2
 ccsort
 ccenergy
 cchbar
 cceom
 cclambda
 cints --oeprop
 ccdensity --onepdm
 oeprop
 psiclean

******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:33 2008

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

  LABEL       =	H2O2 EOM CCSD cc-pVDZ
  SHOWNORM    =	0
  PUREAM      =	0
  SUBGROUP    =	C1
  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   2.6267191
    3   1.7355675   0.0000000  -0.3784149
    4   1.1156013  -1.3295218   3.0051340

  -Geometry before Center-of-Mass shift (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          OXYGEN      0.000000000000     0.000000000000     0.000000000000
          OXYGEN      0.000000000000     0.000000000000     2.626719124125
        HYDROGEN      1.735567509194     0.000000000000    -0.378414913863
        HYDROGEN      1.115601290685    -1.329521846076     3.005134037987


  -Rotational constants (cm-1) :
    A =   10.61423  B =    0.97044  C =    0.91566
    It is an asymmetric top.

  -Geometry after Center-of-Mass shift and reorientation (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          OXYGEN     -1.312218696095    -0.093235962587    -0.054730547952
          OXYGEN      1.312218696095    -0.093235962587     0.054730547952
        HYDROGEN     -1.720870706405     1.479722385924     0.662345455220
        HYDROGEN      1.720870706405     1.479722385924    -0.662345455220


  -SYMMETRY INFORMATION:
    Computational point group is C1  
    Number of irr. rep.      = 1
    Number of atoms          = 4
    Number of unique atoms   = 4


  -BASIS SETS:

   -Basis set on unique center 1:
      ( (S ( 11720.00000000     0.00071000)
           (  1759.00000000     0.00547000)
           (   400.80000000     0.02783700)
           (   113.70000000     0.10480000)
           (    37.03000000     0.28306200)
           (    13.27000000     0.44871900)
           (     5.02500000     0.27095200)
           (     1.01300000     0.01545800)
           (     0.30230000    -0.00258500) )
        (S ( 11720.00000000    -0.00016000)
           (  1759.00000000    -0.00126300)
           (   400.80000000    -0.00626700)
           (   113.70000000    -0.02571600)
           (    37.03000000    -0.07092400)
           (    13.27000000    -0.16541100)
           (     5.02500000    -0.11695500)
           (     1.01300000     0.55736800)
           (     0.30230000     0.57275900) )
        (S (     0.30230000     1.00000000) )
        (P (    17.70000000     0.04301800)
           (     3.85400000     0.22891300)
           (     1.04600000     0.50872800)
           (     0.27530000     0.46053100) )
        (P (     0.27530000     1.00000000) )
        (D (     1.18500000     1.00000000) )
       )

   -Basis set on unique center 2:
      ( (S ( 11720.00000000     0.00071000)
           (  1759.00000000     0.00547000)
           (   400.80000000     0.02783700)
           (   113.70000000     0.10480000)
           (    37.03000000     0.28306200)
           (    13.27000000     0.44871900)
           (     5.02500000     0.27095200)
           (     1.01300000     0.01545800)
           (     0.30230000    -0.00258500) )
        (S ( 11720.00000000    -0.00016000)
           (  1759.00000000    -0.00126300)
           (   400.80000000    -0.00626700)
           (   113.70000000    -0.02571600)
           (    37.03000000    -0.07092400)
           (    13.27000000    -0.16541100)
           (     5.02500000    -0.11695500)
           (     1.01300000     0.55736800)
           (     0.30230000     0.57275900) )
        (S (     0.30230000     1.00000000) )
        (P (    17.70000000     0.04301800)
           (     3.85400000     0.22891300)
           (     1.04600000     0.50872800)
           (     0.27530000     0.46053100) )
        (P (     0.27530000     1.00000000) )
        (D (     1.18500000     1.00000000) )
       )

   -Basis set on unique center 3:
      ( (S (    13.01000000     0.01968500)
           (     1.96200000     0.13797700)
           (     0.44460000     0.47814800)
           (     0.12200000     0.50124000) )
        (S (     0.12200000     1.00000000) )
        (P (     0.72700000     1.00000000) )
       )

   -Basis set on unique center 4:
      ( (S (    13.01000000     0.01968500)
           (     1.96200000     0.13797700)
           (     0.44460000     0.47814800)
           (     0.12200000     0.50124000) )
        (S (     0.12200000     1.00000000) )
        (P (     0.72700000     1.00000000) )
       )


  -BASIS SET INFORMATION:
    Total number of shells = 18
    Number of primitives   = 62
    Number of AO           = 40
    Number of SO           = 38

    Irrep    Number of SO
    -----    ------------
      1           38


  -Unique atoms in the canonical coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          OXYGEN     -1.312218696095    -0.093235962587    -0.054730547952
          OXYGEN      1.312218696095    -0.093235962587     0.054730547952
        HYDROGEN     -1.720870706405     1.479722385924     0.662345455220
        HYDROGEN      1.720870706405     1.479722385924    -0.662345455220


  -Geometry in the canonical coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          OXYGEN     -1.312218696095    -0.093235962587    -0.054730547952
          OXYGEN      1.312218696095    -0.093235962587     0.054730547952
        HYDROGEN     -1.720870706405     1.479722385924     0.662345455220
        HYDROGEN      1.720870706405     1.479722385924    -0.662345455220


  -Geometry in the canonical coordinate system (Angstrom):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          OXYGEN     -0.694396279686    -0.049338350190    -0.028962160801
          OXYGEN      0.694396279686    -0.049338350190     0.028962160801
        HYDROGEN     -0.910645626300     0.783035421467     0.350498145881
        HYDROGEN      0.910645626300     0.783035421467    -0.350498145881


  -Geometry in the reference coordinate system (a.u.):
       Center              X                  Y                   Z
    ------------   -----------------  -----------------  -----------------
          OXYGEN     -1.312218696095    -0.093235962587    -0.054730547952
          OXYGEN      1.312218696095    -0.093235962587     0.054730547952
        HYDROGEN     -1.720870706405     1.479722385924     0.662345455220
        HYDROGEN      1.720870706405     1.479722385924    -0.662345455220


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

    Nuclear Repulsion Energy (a.u.) =      38.253971301900

  -The Interatomic Distances in angstroms:

           1           2           3           4

    1   0.0000000
    2   1.3900000   0.0000000
    3   0.9400000   1.8364071   0.0000000
    4   1.8364071   0.9400000   1.9515372   0.0000000

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


******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:33 2008

user time   =       0.03 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
Wed Mar 12 18:36:33 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                       = H2O2 EOM CCSD cc-pVDZ
    Number of atoms             = 4
    Number of atomic orbitals   = 40
    Number of symmetry orbitals = 38
    Maximum AM in the basis     = 2

  -SYMMETRY INFORMATION;
    Computational point group        = C1 
    Number of irreps                 = 1

    Wrote 230463 two-electron integrals to IWL file 33

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:34 2008

user time   =       0.52 seconds =       0.01 minutes
system time =       0.02 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:34 2008


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

                CSCF3.0: An SCF program written in C

              Written by too many people to mention here

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

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

  label        = H2O2 EOM CCSD cc-pVDZ
  wfn          = EOM_CCSD
  reference    = RHF
  multiplicity = 1
  charge       = 0
  direct       = false
  dertype      = NONE
  convergence  = 10
  maxiter      = 100
  guess        = AUTO

  nuclear repulsion energy       38.2539713019000
  first run, so defaulting to core-hamiltonian guess

  level shift                      = 0.100000

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

  keeping integrals in 4398656 bytes of core

  The lowest eigenvalue of the overlap matrix was 1.125871e-02

  Using core guess to determine occupations


  Symmetry block:   A    
  DOCC:              9   
  SOCC:              0   

  reading integrals in the IWL format from files 33,35,36,37
  wrote 230463 integrals to file92

  iter       total energy        delta E         delta P          diiser
    1      -139.2051688985    1.774591e+02    0.000000e+00    0.000000e+00
    2      -141.9342946178    2.729126e+00    4.586116e-02    7.929146e-01
    3      -150.7048900449    8.770595e+00    2.725256e-02    8.114020e-01
    4      -150.7728438808    6.795384e-02    1.300132e-03    6.516247e-02
    5      -150.7781370095    5.293129e-03    4.116563e-04    2.098547e-02
    6      -150.7790698055    9.327960e-04    1.873588e-04    9.672165e-03
    7      -150.7791762454    1.064399e-04    6.143295e-05    3.195294e-03
    8      -150.7791829131    6.667689e-06    1.659572e-05    7.062492e-04
    9      -150.7791838385    9.253765e-07    7.570594e-06    3.099451e-04
   10      -150.7791838658    2.733631e-08    1.258204e-06    5.567752e-05
   11      -150.7791838677    1.884558e-09    2.396722e-07    1.396320e-05
   12      -150.7791838679    2.025899e-10    9.088528e-08    4.665630e-06
   13      -150.7791838679    7.815970e-12    1.789823e-08    7.889615e-07
   14      -150.7791838679    1.136868e-12    4.645106e-09    1.689900e-07
   15      -150.7791838679   -4.263256e-13    1.244450e-09    4.790364e-08
   16      -150.7791838679    2.557954e-13    4.207210e-10    2.029054e-08
   17      -150.7791838679   -8.526513e-14    2.440300e-10    8.382285e-09
   18      -150.7791838679   -1.705303e-13    6.934186e-11    2.303692e-09

Orbital energies (a.u.):

  Doubly occupied orbitals
   1A     -20.619349     2A     -20.619013     3A      -1.507787  
   4A      -1.207608     5A      -0.772079     6A      -0.669171  
   7A      -0.610850     8A      -0.534579     9A      -0.457771  

  Unoccupied orbitals
  10A       0.170058    11A       0.207922    12A       0.357579  
  13A       0.826680    14A       0.851681    15A       1.130818  
  16A       1.137986    17A       1.173859    18A       1.187142  
  19A       1.286565    20A       1.298497    21A       1.497098  
  22A       1.540883    23A       1.559287    24A       1.733951  
  25A       1.913157    26A       2.037507    27A       2.460010  
  28A       2.503912    29A       2.672803    30A       2.821554  
  31A       2.932536    32A       3.274207    33A       3.309357  
  34A       3.503492    35A       3.609638    36A       3.917634  
  37A       4.000575    38A       4.287100  


      * SCF total energy   =    -150.779183867918
        kinetic energy     =     150.895990033570
        nuc. attr. energy  =    -434.965887714295
        elec. rep. energy  =     133.290713812806
        potential energy   =    -301.675173901489
        virial theorem     =       2.000774683631
        wavefunction norm  =       1.000000000000
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:34 2008

user time   =       0.10 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
Wed Mar 12 18:36:34 2008


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


	Input parameters:
	-----------------
	Wave function   =	EOM_CCSD
	Backtransform   =	No
	Print Level     =	1
	Print TEIs      =	No
	Reference wfn   =	RHF
	Derivative      =	None
	Delete TEI File =	Yes
	Memory (Mbytes) =	256.0
	Cache Level     =	2
	Cache Type      =	LRU
	Chkpt Parameters:
	--------------------
	Number of irreps     = 1
	Number of SOs        = 38
	Number of MOs        = 38
	Number of active MOs = 36

	Label	# SOs	# FZDC	# DOCC	# SOCC	# VIRT	# FZVR
	-----	-----	------	------	------	------	------
	 A  	   38	    2	    7	    0	    29	    0

	Nuclear Rep. energy (chkpt) =     38.25397130190001
	SCF energy          (chkpt) =   -150.77918386791814

	Presorting SO-basis two-electron integrals.
	Sorting File: SO Ints (pq,rs) nbuckets = 1
	Frozen-core energy = -132.274849316734816
	Starting first half-transformation.
	Sorting half-transformed integrals.
	Starting second half-transformation.
	Two-electron integral transformation complete.
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:35 2008

user time   =       0.52 seconds =       0.01 minutes
system time =       0.10 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:35 2008


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


	Input parameters:
	-----------------
	Wave function   =	EOM_CCSD
	Reference wfn   =	RHF
	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     = 1
	Number of MOs        = 38
	Number of active MOs = 36

	Label	# MOs	# FZDC	# DOCC	# SOCC	# VIRT	# FZVR
	-----	-----	------	------	------	------	------
	 A  	   38	    2	    7	    0	    29	    0

	Nuclear Rep. energy (chkpt) =     38.25397130190001
	SCF energy          (chkpt) =   -150.77918386791814

	Size of irrep 0 of <ab|cd> integrals:      0.707 (MW) /      5.658 (MB)
	Total:                                     0.707 (MW) /      5.658 (MB)

	Size of irrep 0 of <ia|bc> integrals:      0.171 (MW) /      1.366 (MB)
	Total:                                     0.171 (MW) /      1.366 (MB)

	Size of irrep 0 of tijab amplitudes:       0.041 (MW) /      0.330 (MB)
	Total:                                     0.041 (MW) /      0.330 (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
	One-electron energy          =   -101.99692289269123
	Two-electron (AA) energy     =     19.05943605556921
	Two-electron (BB) energy     =     19.05943605556921
	Two-electron (AB) energy     =     26.17918098403851
	Two-electron energy          =     45.23861703960772
	Frozen-core energy (transqt) =   -132.27484931673482
	Reference energy             =   -150.77918386791833
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:35 2008

user time   =       0.09 seconds =       0.00 minutes
system time =       0.10 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:35 2008

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

	Nuclear Rep. energy (chkpt)   =   38.253971301900009
	SCF energy          (chkpt)   = -150.779183867918135
	Reference energy    (file100) = -150.779183867918334

	Input parameters:
	-----------------
	Wave function   =    EOM_CCSD
	Reference wfn   =      RHF
	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        -0.380256292639727    0.000e+00    0.000000    0.000000    0.000000
     1        -0.384252690373590    4.172e-02    0.006281    0.014957    0.014957
     2        -0.393202753081189    1.580e-02    0.007156    0.016728    0.016728
     3        -0.394603265570397    5.260e-03    0.008061    0.018516    0.018516
     4        -0.394657637620488    1.398e-03    0.008198    0.018646    0.018646
     5        -0.394690560239330    5.030e-04    0.008266    0.018685    0.018685
     6        -0.394682665054202    1.898e-04    0.008293    0.018687    0.018687
     7        -0.394679296558984    5.979e-05    0.008301    0.018685    0.018685
     8        -0.394679256160936    2.095e-05    0.008303    0.018684    0.018684
     9        -0.394678907135498    7.909e-06    0.008304    0.018684    0.018684
    10        -0.394679193419306    3.344e-06    0.008304    0.018684    0.018684
    11        -0.394679168067269    1.110e-06    0.008304    0.018684    0.018684
    12        -0.394679205983232    3.658e-07    0.008304    0.018684    0.018684
    13        -0.394679204284640    1.105e-07    0.008304    0.018684    0.018684
    14        -0.394679204608487    3.761e-08    0.008304    0.018684    0.018684

	Iterations converged.


	Largest TIA Amplitudes:
	          3   1        -0.0102219452
	          5   1        -0.0088239689
	          4  15         0.0082621824
	          4  20         0.0079565230
	          4   9         0.0077446847
	          2  17         0.0067312250
	          2   0         0.0066839158
	          3   6         0.0064483635
	          2   8         0.0061907933
	          5   4        -0.0061070729

	Largest TIjAb Amplitudes:
	  4   4   2   2        -0.0682113796
	  4   4   1   2        -0.0337460208
	  4   4   2   1        -0.0337460208
	  2   4   2   2        -0.0313513330
	  4   2   2   2        -0.0313513330
	  2   2   2   2        -0.0311200781
	  6   6   6   6        -0.0224518614
	  6   6   2   2        -0.0219509785
	  2   2   3   3        -0.0213098132
	  4   4   1   1        -0.0200419538

	SCF energy       (chkpt)   = -150.779183867918135
	Reference energy (file100) = -150.779183867918334
	MP2 correlation energy     =   -0.380256292639727
      * MP2 total energy           = -151.159440160558063
	CCSD correlation energy    =   -0.394679204608487
      * CCSD total energy          = -151.173863072526814

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:40 2008

user time   =       3.84 seconds =       0.06 minutes
system time =       0.58 seconds =       0.01 minutes
total time  =          5 seconds =       0.08 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:40 2008


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

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:41 2008

user time   =       0.66 seconds =       0.01 minutes
system time =       0.12 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:41 2008


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

	Nuclear Rep. energy (chkpt)   =   38.253971301900009
	SCF energy          (chkpt)   = -150.779183867918135
	Reference energy    (file100) = -150.779183867918334
	CCSD energy         (file100) =   -0.394679204608487

	Input parameters:
	-----------------
	Reference wfn   =     RHF
	Reference EOM wfn=     RHF
	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     = A   2,
	Max. number of iterations   =    80
	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         =     2
	Sym of state for properties =    A  
	Guess vectors taken from    = SINGLES
	Restart EOM CC3             = NO
	Collapse with last vector   = YES



Fae   dot Fae   total  161.9913908341
Fmi   dot Fmi   total    6.2814467667
Fme   dot Fme   total    0.0000103499
WMBIJ dot WMBIJ total    0.0000000000
Wmbij dot Wmbij total    0.0000000000
WMbIj dot WMbIj total    1.1743295989
WmBiJ dot WmBiJ total    0.0000000000
Symmetry of ground state: A  
Symmetry of excited state: A  
Symmetry of right eigenvector: A  
Seeking states with multiplicity of 1
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)=   0.5066081463
SigmaSS, D(norm sigma)=   0.0372823801
SigmaSS, D(norm sigma)=  -0.1183410521
SigmaSS, D(norm sigma)=   0.0397277063
SigmaSS, D(norm sigma)=   0.0413309656
SigmaSS, D(norm sigma)=   0.0372823801
SigmaSS, D(norm sigma)=  -0.1183410521
SigmaSS, D(norm sigma)=   0.0397277063
SigmaSS, D(norm sigma)=   0.4570513998
SigmaSS, D(norm sigma)=  -0.1430583680
SigmaSS, D(norm sigma)=   0.1926305858
SigmaSS, D(norm sigma)=  -0.1965116284
SigmaSS, D(norm sigma)=  -0.2687810236
SigmaSS, D(norm sigma)=   0.0372823801
SigmaSS, D(norm sigma)=  -0.1183410521
SigmaSS, D(norm sigma)=   0.0397277063
SigmaSS, D(norm sigma)=   0.4570513998
SigmaSS, D(norm sigma)=  -0.1430583680
SigmaSS, D(norm sigma)=   0.1926305858
SigmaSS, D(norm sigma)=  -0.1965116284
SigmaSS, D(norm sigma)=   0.8540714278
SigmaSS, D(norm sigma)=  -0.1566340262
SigmaSS, D(norm sigma)=   0.3029505659
SigmaSS, D(norm sigma)=  -0.0045853456
SigmaSS, D(norm sigma)=  -1.3782604859
SigmaSS, D(norm sigma)=   0.0040699593
SigmaSS, D(norm sigma)=  -0.0040699593
SigmaSS, D(norm sigma)=   0.0040699593
SigmaSS, D(norm sigma)=   0.6897141370
SigmaSS, D(norm sigma)=  -0.0028070993
SigmaSS, D(norm sigma)=  -0.6909769970
SigmaSS, D(norm sigma)=   0.0040699593
SigmaSS, D(norm sigma)=   0.6897141370
SigmaSS, D(norm sigma)=  -0.0028070993
SigmaSS, D(norm sigma)=   0.4348846784
SigmaSS, D(norm sigma)=   0.4342796124
SigmaSS, D(norm sigma)=  -1.5601412878
SigmaSS, D(norm sigma)=   0.0040699593
SigmaSS, D(norm sigma)=   0.6897141370
SigmaSS, D(norm sigma)=  -0.0028070993
SigmaSS, D(norm sigma)=   0.4348846784
SigmaSS, D(norm sigma)=   0.4342796124
SigmaSS, D(norm sigma)=  -0.8301509185
SigmaSS, D(norm sigma)=   0.0523815897
SigmaSS, D(norm sigma)=  -0.7823719590
SigmaSS, D(norm sigma)=   0.0040699593
SigmaSS, D(norm sigma)=   0.6897141370
SigmaSS, D(norm sigma)=  -0.0028070993
SigmaSS, D(norm sigma)=   0.4348846784
SigmaSS, D(norm sigma)=   0.4342796124
SigmaSS, D(norm sigma)=  -0.8301509185
SigmaSS, D(norm sigma)=   0.0523815897
SigmaSS, D(norm sigma)=   0.0343795028
SigmaSS, D(norm sigma)=   0.2667461743
SigmaSS, D(norm sigma)=  -1.0834976361
SigmaSS, D(norm sigma)=   0.0040699593
SigmaSS, D(norm sigma)=   0.6897141370
SigmaSS, D(norm sigma)=  -0.0028070993
SigmaSS, D(norm sigma)=   0.4348846784
SigmaSS, D(norm sigma)=   0.4342796124
SigmaSS, D(norm sigma)=  -0.8301509185
SigmaSS, D(norm sigma)=   0.0523815897
SigmaSS, D(norm sigma)=   0.0343795028
SigmaSS, D(norm sigma)=   0.2667461743
SigmaSS, D(norm sigma)=   0.4305785829
SigmaSS, D(norm sigma)=   0.3713735152
SigmaSS, D(norm sigma)=  -1.8901210031
SigmaSS, D(norm sigma)=   0.0045230063
SigmaSS, D(norm sigma)=  -0.0045230063
SigmaSS, D(norm sigma)=   0.0045230063
SigmaSS, D(norm sigma)=   0.9997068192
SigmaSS, D(norm sigma)=  -0.1631894512
SigmaSS, D(norm sigma)=  -0.8410403742
SigmaSS, D(norm sigma)=   0.0045230063
SigmaSS, D(norm sigma)=   0.9997068192
SigmaSS, D(norm sigma)=  -0.1631894512
SigmaSS, D(norm sigma)=   0.8503117997
SigmaSS, D(norm sigma)=   0.0698493029
SigmaSS, D(norm sigma)=  -1.7612014769
SigmaSS, D(norm sigma)=   0.0045230063
SigmaSS, D(norm sigma)=   0.9997068192
SigmaSS, D(norm sigma)=  -0.1631894512
SigmaSS, D(norm sigma)=   0.8503117997
SigmaSS, D(norm sigma)=   0.0698493029
SigmaSS, D(norm sigma)=  -0.2221336729
SigmaSS, D(norm sigma)=   0.0556018916
SigmaSS, D(norm sigma)=  -1.5946696955
SigmaSS, D(norm sigma)=   0.0045230063
SigmaSS, D(norm sigma)=   0.9997068192
SigmaSS, D(norm sigma)=  -0.1631894512
SigmaSS, D(norm sigma)=   0.8503117997
SigmaSS, D(norm sigma)=   0.0698493029
SigmaSS, D(norm sigma)=  -0.2221336729
SigmaSS, D(norm sigma)=   0.0556018916
SigmaSS, D(norm sigma)=  -0.5477970694
SigmaSS, D(norm sigma)=   0.1116668685
SigmaSS, D(norm sigma)=  -1.1585394947
SigmaSS, D(norm sigma)=   0.0045230063
SigmaSS, D(norm sigma)=   0.9997068192
SigmaSS, D(norm sigma)=  -0.1631894512
SigmaSS, D(norm sigma)=   0.8503117997
SigmaSS, D(norm sigma)=   0.0698493029
SigmaSS, D(norm sigma)=  -0.2221336729
SigmaSS, D(norm sigma)=   0.0556018916
SigmaSS, D(norm sigma)=  -0.5477970694
SigmaSS, D(norm sigma)=   0.1116668685
SigmaSS, D(norm sigma)=  -0.0688226655
SigmaSS, D(norm sigma)=   0.1718427716
SigmaSS, D(norm sigma)=  -1.2615709615
SigmaSS, D(norm sigma)=   0.0045342058
SigmaSS, D(norm sigma)=  -0.0045342058
SigmaSS, D(norm sigma)=   0.0045342058
SigmaSS, D(norm sigma)=   0.6979675811
SigmaSS, D(norm sigma)=   0.0096379651
SigmaSS, D(norm sigma)=  -0.7121397520
SigmaSS, D(norm sigma)=   0.0045342058
SigmaSS, D(norm sigma)=   0.6979675811
SigmaSS, D(norm sigma)=   0.0096379651
SigmaSS, D(norm sigma)=   0.5145306288
SigmaSS, D(norm sigma)=  -1.2266703808
SigmaSS, D(norm sigma)=   0.0045342058
SigmaSS, D(norm sigma)=   0.6979675811
SigmaSS, D(norm sigma)=   0.0096379651
SigmaSS, D(norm sigma)=   0.5145306288
SigmaSS, D(norm sigma)=  -0.5171427785
SigmaSS, D(norm sigma)=  -0.7095276024
SigmaSS, D(norm sigma)=   0.0045342058
SigmaSS, D(norm sigma)=   0.6979675811
SigmaSS, D(norm sigma)=   0.0096379651
SigmaSS, D(norm sigma)=   0.5145306288
SigmaSS, D(norm sigma)=  -0.5171427785
SigmaSS, D(norm sigma)=   0.1845351588
SigmaSS, D(norm sigma)=  -0.8940627612
SigmaSS, D(norm sigma)=   0.0045342058
SigmaSS, D(norm sigma)=   0.6979675811
SigmaSS, D(norm sigma)=   0.0096379651
SigmaSS, D(norm sigma)=   0.5145306288
SigmaSS, D(norm sigma)=  -0.5171427785
SigmaSS, D(norm sigma)=   0.1845351588
SigmaSS, D(norm sigma)=   0.5594889999
SigmaSS, D(norm sigma)=  -1.4535517610
SigmaSS, D(norm sigma)=   0.0045342058
SigmaSS, D(norm sigma)=   0.6979675811
SigmaSS, D(norm sigma)=   0.0096379651
SigmaSS, D(norm sigma)=   0.5145306288
SigmaSS, D(norm sigma)=  -0.5171427785
SigmaSS, D(norm sigma)=   0.1845351588
SigmaSS, D(norm sigma)=   0.5594889999
SigmaSS, D(norm sigma)=   0.8057548750
Done.


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

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     7	col =    29

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

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

    0  (  0) -0.000000000000034  0.004231461005546  0.001598132906493 -0.000000000000049  0.002119937330008  0.000000000000004 -0.000664257302266 -0.000801758565011 -0.000000000000039
    1  (  1) -0.000741465556243 -0.000000000000021  0.000000000000020 -0.001043726574568 -0.000000000000031  0.001039505093449  0.000000000000023  0.000000000000058 -0.000848112456935
    2  (  2)  0.000000000000167 -0.004932445906150 -0.003765842473023  0.000000000000073 -0.001059344681017  0.000000000000081  0.000707009376324 -0.003841832418996 -0.000000000000151
    3  (  3) -0.031879191752243  0.000000000003762  0.000000000002321  0.001748706821153  0.000000000000516 -0.007188576475133 -0.000000000000065  0.000000000000314 -0.008070854676778
    4  (  4) -0.000000000000958  0.044119606193821  0.038951552638727 -0.000000000000200  0.007228176726815 -0.000000000000272 -0.007896376076776  0.002773141979408 -0.000000000000036
    5  (  5)  0.046225209348872 -0.000000000005059 -0.000000000003448  0.000824684990971 -0.000000000000525  0.010753989226882  0.000000000000107 -0.000000000000263  0.007177069216470
    6  (  6)  0.000000000006245 -0.542777152655476 -0.438030802481659  0.000000000001508 -0.047681921814403  0.000000000000629  0.032485728786985 -0.022374858411116 -0.000000000000712

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

    0  (  0)  0.000000000000012 -0.000239011145765  0.000000000000006  0.000000000000010 -0.000228835616483 -0.001308182039281 -0.000000000000010 -0.000564772698386  0.000000000000004
    1  (  1)  0.001553187361006 -0.000000000000017  0.000892439039332  0.001765835774098 -0.000000000000021  0.000000000000003 -0.000506578417550  0.000000000000006  0.000199502870545
    2  (  2) -0.000000000000064 -0.002483339236172  0.000000000000029 -0.000000000000165 -0.005584389312897 -0.001124385777905  0.000000000000004  0.002129160694944 -0.000000000000013
    3  (  3) -0.010161691741961  0.000000000000183  0.004760255302178 -0.004744602319637  0.000000000000138  0.000000000000045 -0.019362479834783 -0.000000000000003 -0.005419906658713
    4  (  4) -0.000000000000172 -0.004195754233042  0.000000000000049  0.000000000000010 -0.000456566400503 -0.002637619483574 -0.000000000000204 -0.001510771138722 -0.000000000000074
    5  (  5)  0.008456341397054 -0.000000000000036 -0.000835258063830 -0.002295282192637  0.000000000000017 -0.000000000000055  0.013178300276094  0.000000000000062  0.003890164954275
    6  (  6)  0.000000000000209  0.031090913734441 -0.000000000000115 -0.000000000000128 -0.002652162207222 -0.006009474964039 -0.000000000000148  0.016138299909855 -0.000000000000233

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

    0  (  0) -0.000001385221195  0.002998984606507  0.000000000000001  0.000000000000004 -0.000000000000002 -0.000046856877920 -0.000000000000010 -0.000420402995678 -0.000142012701986
    1  (  1)  0.000000000000005 -0.000000000000030 -0.000138212815836  0.000959046101383  0.000408101555863  0.000000000000014 -0.002393985712869 -0.000000000000006  0.000000000000002
    2  (  2)  0.000120784428993  0.003264428426010 -0.000000000000020 -0.000000000000000 -0.000000000000191  0.004326037075889 -0.000000000000007  0.000160111621241 -0.001831069822971
    3  (  3)  0.000000000000163 -0.000000000000045 -0.011996136383590 -0.000796778260638 -0.004717050706449 -0.000000000000145 -0.000233974211638 -0.000000000000022  0.000000000000082
    4  (  4) -0.001648020722469  0.008598599267405 -0.000000000000083 -0.000000000000018  0.000000000000063 -0.001516670940504  0.000000000000009  0.000009154683360  0.001218831229432
    5  (  5) -0.000000000000140  0.000000000000035  0.005734195682439  0.001643207009796 -0.002504613348511 -0.000000000000111 -0.000723337229572  0.000000000000030 -0.000000000000074
    6  (  6) -0.003984008638507 -0.002086735403119 -0.000000000000319 -0.000000000000074  0.000000000000076 -0.002396181414362  0.000000000000001  0.002772337912411 -0.004295357830099

                        27                 28     
                      ( 27)              ( 28)    

    0  (  0)  0.000000000000003 -0.000052510273591
    1  (  1)  0.000319337500198  0.000000000000000
    2  (  2)  0.000000000000014 -0.000216391485502
    3  (  3)  0.002565537626399 -0.000000000000025
    4  (  4)  0.000000000000032 -0.000138761029933
    5  (  5) -0.003638562923743  0.000000000000027
    6  (  6)  0.000000000000084  0.001589375785138

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

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     7	col =    29

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

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

    0  (  0)  0.002409991077545  0.000000000000054  0.000000000000006  0.000372595369150  0.000000000000019  0.000288474537063 -0.000000000000039 -0.000000000000045  0.000892325391376
    1  (  1)  0.000000000000025  0.003244295453089 -0.003302898175126  0.000000000000007 -0.000605193042712 -0.000000000000015 -0.003411231677586 -0.001704693573697 -0.000000000000079
    2  (  2) -0.012169133464200 -0.000000000000036  0.000000000000014 -0.005616710467400 -0.000000000000150 -0.001468781177716 -0.000000000000014 -0.000000000000112  0.001818609014071
    3  (  3)  0.000000000004765 -0.088401759304184  0.064110044707127  0.000000000001062 -0.030508353648023 -0.000000000000016 -0.007645405633674 -0.001864668089922 -0.000000000000252
    4  (  4)  0.034523909851451 -0.000000000000833  0.000000000001068  0.005821761409805 -0.000000000000196  0.003381391053221 -0.000000000000131  0.000000000000048 -0.000005096908359
    5  (  5) -0.000000000006363  0.098015101690323 -0.055567442645711 -0.000000000001089  0.027183353843950 -0.000000000000087  0.000280479648060  0.001697016929431  0.000000000000195
    6  (  6) -0.682840048313514 -0.000000000008057 -0.000000000001952 -0.062697563354394 -0.000000000002256 -0.022546949545766  0.000000000000525 -0.000000000000505  0.001098257497137

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

    0  (  0) -0.001048780487063  0.000000000000013  0.000256287936609 -0.001025817059989  0.000000000000013 -0.000000000000013  0.000716777085237 -0.000000000000008 -0.000521523280326
    1  (  1)  0.000000000000029 -0.000191975015072  0.000000000000013 -0.000000000000019 -0.001391473362385  0.000709494569218 -0.000000000000003  0.000395325613190 -0.000000000000016
    2  (  2)  0.000409703770732 -0.000000000000048 -0.000798694381279  0.002167681297232 -0.000000000000069 -0.000000000000009 -0.001213706405835  0.000000000000032  0.001134493809408
    3  (  3) -0.000000000000440 -0.017640278088354 -0.000000000000050 -0.000000000000025  0.001257960855221 -0.002262620948466  0.000000000000010  0.005740888769977 -0.000000000000213
    4  (  4)  0.002298902211390 -0.000000000000293 -0.000918989627087 -0.001123480298307  0.000000000000015 -0.000000000000022  0.001196060995448  0.000000000000040 -0.000817525103465
    5  (  5)  0.000000000000445  0.015755036941278  0.000000000000122  0.000000000000031  0.001225843881984  0.000215422105872 -0.000000000000058 -0.003735524158350  0.000000000000179
    6  (  6)  0.005771559110314 -0.000000000000255  0.016262672948648  0.005170672753500 -0.000000000000111 -0.000000000000088 -0.016162451003756  0.000000000000322  0.010132936101908

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

    0  (  0)  0.000000000000006  0.000000000000020 -0.000129951770122  0.000483846656023  0.000522565592860  0.000000000000011 -0.000917253566989 -0.000000000000009 -0.000000000000000
    1  (  1) -0.001134133114178  0.000357507551991  0.000000000000001  0.000000000000004  0.000000000000023 -0.000616870975965 -0.000000000000011 -0.000174172806449  0.000188499044399
    2  (  2) -0.000000000000033  0.000000000000028  0.000021010043427  0.000827859663097  0.001701619832278  0.000000000000071 -0.000665222433778  0.000000000000001 -0.000000000000007
    3  (  3) -0.007622247988038  0.000123734674310 -0.000000000000097 -0.000000000000033  0.000000000000015 -0.001369819916045  0.000000000000007 -0.000073423079893 -0.002329284269160
    4  (  4) -0.000000000000072  0.000000000000045 -0.001004315295496  0.000859742457173 -0.001086834009749 -0.000000000000040 -0.001972601462623 -0.000000000000001 -0.000000000000025
    5  (  5)  0.005315297468857  0.000938824856008  0.000000000000059  0.000000000000045  0.000000000000030 -0.001899416345432 -0.000000000000015 -0.000657122360415  0.002239391102057
    6  (  6) -0.000000000000388 -0.000000000000041  0.003485063671995  0.002552632050344 -0.000890616031269 -0.000000000000024 -0.000220285027884  0.000000000000021 -0.000000000000050

                        27                 28     
                      ( 27)              ( 28)    

    0  (  0)  0.000059482086222 -0.000000000000001
    1  (  1) -0.000000000000001  0.000011354454721
    2  (  2)  0.000647919349117 -0.000000000000004
    3  (  3)  0.000000000000031 -0.000110599876619
    4  (  4) -0.000503207053680 -0.000000000000002
    5  (  5) -0.000000000000041  0.000109485243218
    6  (  6)  0.002214231694473  0.000000000000001
resetting norm
Iter=1    L=2   resetting norm
SigmaSS, D(norm sigma)=   0.3882489159
FSD    , D(norm sigma)=   0.0000000000
WamefSD, D(norm sigma)=   0.0000000000
WmnieSD, D(norm sigma)=   0.0000000000
WmaijDS, D(norm sigma)=   0.2333174912
WabejDS, D(norm sigma)=   0.0830623308
WnmjeDS, D(norm sigma)=   0.0050156737
WbmfeDS, D(norm sigma)=  -0.0000576253
FDD_Fbe, D(norm sigma)=   0.0000000000
FDD_Fmj, D(norm sigma)=   0.0000000000
WmnijDD, D(norm sigma)=   0.0000000000
WabefDD, D(norm sigma)=   0.0000000000
WmbejDD, D(norm sigma)=   0.0000000000
WmnefDD XAF, D(norm sigma)=   0.0000000000
WmnefDD XLI, D(norm sigma)=   0.0000000000
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.3927828819
FSD    , D(norm sigma)=   0.0000000000
WamefSD, D(norm sigma)=   0.0000000000
WmnieSD, D(norm sigma)=   0.0000000000
WmaijDS, D(norm sigma)=   0.2325590671
WabejDS, D(norm sigma)=   0.0292376392
WnmjeDS, D(norm sigma)=   0.0008066510
WbmfeDS, D(norm sigma)=  -0.0000107127
FDD_Fbe, D(norm sigma)=   0.0000000000
FDD_Fmj, D(norm sigma)=   0.0000000000
WmnijDD, D(norm sigma)=   0.0000000000
WabefDD, D(norm sigma)=   0.0000000000
WmbejDD, D(norm sigma)=   0.0000000000
WmnefDD XAF, D(norm sigma)=   0.0000000000
WmnefDD XLI, D(norm sigma)=   0.0000000000
resetting norm
The G Matrix

                0                  1        

    0   0.388248915927470 -0.000000000000002
    1   0.000000000000000  0.392782881923480
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.5939496499010
Norm of residual vector 0  after precondition    0.5939496499010
                     1   0.3882489159   3.88e-01    5.94e-01      N
Norm of residual vector af preconditioning    0.1856746172754
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.5246319552553
Norm of residual vector 1  after precondition    0.5246319552553
                     2   0.3927828819   3.93e-01    5.25e-01      N
Norm of residual vector af preconditioning    0.2082288199946
Norm of final new C in schmidt_add():    1.000000000000000
Iter=2    L=4   resetting norm
SigmaSS, D(norm sigma)=   0.0000011028
FSD    , D(norm sigma)=   0.0005607075
WamefSD, D(norm sigma)=   0.3730078241
WmnieSD, D(norm sigma)=   0.2827731875
WmaijDS, D(norm sigma)=   0.0000000000
WabejDS, D(norm sigma)=   0.0000000000
WnmjeDS, D(norm sigma)=   0.0000000000
WbmfeDS, D(norm sigma)=  -0.0000000000
FDD_Fbe, D(norm sigma)=   1.7229391719
FDD_Fmj, D(norm sigma)=   1.2574637780
WmnijDD, D(norm sigma)=   0.5456907420
WabefDD, D(norm sigma)=   0.5510218472
WmbejDD, D(norm sigma)=  -1.6144563791
WmnefDD XAF, D(norm sigma)=   0.0092938705
WmnefDD XLI, D(norm sigma)=   0.0110548045
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.0000055269
FSD    , D(norm sigma)=   0.0009119602
WamefSD, D(norm sigma)=   0.1446697240
WmnieSD, D(norm sigma)=   0.4407598142
WmaijDS, D(norm sigma)=   0.0000000000
WabejDS, D(norm sigma)=   0.0000000000
WnmjeDS, D(norm sigma)=   0.0000000000
WbmfeDS, D(norm sigma)=  -0.0000000000
FDD_Fbe, D(norm sigma)=   1.1142819201
FDD_Fmj, D(norm sigma)=   1.2527688711
WmnijDD, D(norm sigma)=   0.6022261643
WabefDD, D(norm sigma)=   0.3661112649
WmbejDD, D(norm sigma)=  -1.3628618728
WmnefDD XAF, D(norm sigma)=   0.0162857145
WmnefDD XLI, D(norm sigma)=   0.0015975648
resetting norm
The G Matrix

                0                  1                  2                  3        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.1012699061654
Norm of residual vector 0  after precondition    0.1012699061654
                     1   0.2587996225  -1.29e-01    1.01e-01      N
Norm of residual vector af preconditioning    0.0376374448751
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0848360002909
Norm of residual vector 1  after precondition    0.0848360002909
                     2   0.2632447781  -1.30e-01    8.48e-02      N
Norm of residual vector af preconditioning    0.0519321637064
Norm of final new C in schmidt_add():    0.999999999999999
Iter=3    L=6   resetting norm
SigmaSS, D(norm sigma)=   1.3574640949
FSD    , D(norm sigma)=  -0.0000621537
WamefSD, D(norm sigma)=   0.0124030791
WmnieSD, D(norm sigma)=   0.0341633114
WmaijDS, D(norm sigma)=   0.0418131222
WabejDS, D(norm sigma)=   0.0123616689
WnmjeDS, D(norm sigma)=  -0.0004538571
WbmfeDS, D(norm sigma)=  -0.0002161579
FDD_Fbe, D(norm sigma)=   0.7663535520
FDD_Fmj, D(norm sigma)=   0.7306345263
WmnijDD, D(norm sigma)=   0.3180248708
WabefDD, D(norm sigma)=   0.3021567835
WmbejDD, D(norm sigma)=  -1.0271410210
WmnefDD XAF, D(norm sigma)=   0.0017085174
WmnefDD XLI, D(norm sigma)=   0.0002415574
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.7885528926
FSD    , D(norm sigma)=   0.0001016630
WamefSD, D(norm sigma)=   0.0009802139
WmnieSD, D(norm sigma)=   0.0432501472
WmaijDS, D(norm sigma)=   0.1006023323
WabejDS, D(norm sigma)=   0.0539183873
WnmjeDS, D(norm sigma)=   0.0000181961
WbmfeDS, D(norm sigma)=  -0.0002746553
FDD_Fbe, D(norm sigma)=   0.4048081280
FDD_Fmj, D(norm sigma)=   0.5006175838
WmnijDD, D(norm sigma)=   0.2317605640
WabefDD, D(norm sigma)=   0.1632677519
WmbejDD, D(norm sigma)=  -0.6455849036
WmnefDD XAF, D(norm sigma)=   0.0013694711
WmnefDD XLI, D(norm sigma)=   0.0007827084
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234

                5        

    0  -0.000000000000083
    1   0.023397609883747
    2   0.000000000001502
    3  -0.318370715381630
    4   0.000000000004401
    5   1.198474819410620
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0351325395830
Norm of residual vector 0  after precondition    0.0351325395830
                     1   0.2543352021  -4.46e-03    3.51e-02      N
Norm of residual vector af preconditioning    0.0119191103673
Norm of final new C in schmidt_add():    1.000000000000002
Norm of residual vector 1  before precondition    0.0475536717094
Norm of residual vector 1  after precondition    0.0475536717094
                     2   0.2587397238  -4.51e-03    4.76e-02      N
Norm of residual vector af preconditioning    0.0172211468482
Norm of final new C in schmidt_add():    1.000000000000000
Iter=4    L=8   resetting norm
SigmaSS, D(norm sigma)=   1.0028712348
FSD    , D(norm sigma)=  -0.0000116800
WamefSD, D(norm sigma)=   0.0956092346
WmnieSD, D(norm sigma)=   0.0948415505
WmaijDS, D(norm sigma)=   0.0177014533
WabejDS, D(norm sigma)=   0.0056280235
WnmjeDS, D(norm sigma)=   0.0000304387
WbmfeDS, D(norm sigma)=  -0.0001755363
FDD_Fbe, D(norm sigma)=   1.2674406188
FDD_Fmj, D(norm sigma)=   1.0577177775
WmnijDD, D(norm sigma)=   0.4803175906
WabefDD, D(norm sigma)=   0.4883135322
WmbejDD, D(norm sigma)=  -1.4752534907
WmnefDD XAF, D(norm sigma)=   0.0050869296
WmnefDD XLI, D(norm sigma)=   0.0040202722
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.4529120831
FSD    , D(norm sigma)=  -0.0000478221
WamefSD, D(norm sigma)=   0.1582894551
WmnieSD, D(norm sigma)=   0.2033716608
WmaijDS, D(norm sigma)=   0.0136766401
WabejDS, D(norm sigma)=   0.0058954086
WnmjeDS, D(norm sigma)=   0.0000206436
WbmfeDS, D(norm sigma)=  -0.0000706489
FDD_Fbe, D(norm sigma)=   1.2722270734
FDD_Fmj, D(norm sigma)=   1.1619562857
WmnijDD, D(norm sigma)=   0.5260373629
WabefDD, D(norm sigma)=   0.4306475865
WmbejDD, D(norm sigma)=  -1.3080046384
WmnefDD XAF, D(norm sigma)=   0.0109436916
WmnefDD XLI, D(norm sigma)=   0.0024527988
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967

                5                  6                  7        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243
    1   0.023397609883747  0.000000000000866  0.052375509540089
    2   0.000000000001502 -0.361729425181979  0.000000000004043
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170
    4   0.000000000004401 -0.743075435585177 -0.000000000010549
    5   1.198474819410620 -0.000000000001891 -0.790765770439164
    6  -0.000000000002553  2.538555756943356  0.000000000006986
    7  -0.724065947425335  0.000000000006653  2.498262477408993
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0112521366256
Norm of residual vector 0  after precondition    0.0112521366256
                     1   0.2536590976  -6.76e-04    1.13e-02      N
Norm of residual vector af preconditioning    0.0058809902897
Norm of final new C in schmidt_add():    1.000000000000002
Norm of residual vector 1  before precondition    0.0207063011518
Norm of residual vector 1  after precondition    0.0207063011518
                     2   0.2572908739  -1.45e-03    2.07e-02      N
Norm of residual vector af preconditioning    0.0130414917262
Norm of final new C in schmidt_add():    1.000000000000000
Iter=5    L=10  resetting norm
SigmaSS, D(norm sigma)=   0.8983429416
FSD    , D(norm sigma)=   0.0000483976
WamefSD, D(norm sigma)=  -0.0182271615
WmnieSD, D(norm sigma)=   0.0442243445
WmaijDS, D(norm sigma)=   0.0814623028
WabejDS, D(norm sigma)=   0.0325850823
WnmjeDS, D(norm sigma)=  -0.0003176076
WbmfeDS, D(norm sigma)=  -0.0001893071
FDD_Fbe, D(norm sigma)=   0.7760479677
FDD_Fmj, D(norm sigma)=   0.6696581067
WmnijDD, D(norm sigma)=   0.2779752278
WabefDD, D(norm sigma)=   0.2469116205
WmbejDD, D(norm sigma)=  -0.7906731820
WmnefDD XAF, D(norm sigma)=   0.0029369833
WmnefDD XLI, D(norm sigma)=   0.0003987461
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.8541338469
FSD    , D(norm sigma)=   0.0002627168
WamefSD, D(norm sigma)=  -0.0360838666
WmnieSD, D(norm sigma)=   0.0910253199
WmaijDS, D(norm sigma)=   0.0641632086
WabejDS, D(norm sigma)=   0.0098232196
WnmjeDS, D(norm sigma)=  -0.0001020382
WbmfeDS, D(norm sigma)=  -0.0001003463
FDD_Fbe, D(norm sigma)=   0.7975937670
FDD_Fmj, D(norm sigma)=   0.8682477184
WmnijDD, D(norm sigma)=   0.3811552540
WabefDD, D(norm sigma)=   0.2641209453
WmbejDD, D(norm sigma)=  -1.1035639882
WmnefDD XAF, D(norm sigma)=   0.0026803762
WmnefDD XLI, D(norm sigma)=   0.0006428104
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967
    8  -0.029140089531029 -0.000000000000831  0.244654552560192  0.000000000001133 -0.425686887690208
    9   0.000000000000204 -0.024294375450384 -0.000000000003203  0.268441800995994  0.000000000004409

                5                  6                  7                  8                  9        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243 -0.034424900020327  0.000000000000257
    1   0.023397609883747  0.000000000000866  0.052375509540089 -0.000000000000812 -0.034481639107101
    2   0.000000000001502 -0.361729425181979  0.000000000004043  0.236949117372269 -0.000000000003345
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170  0.000000000000800  0.261666691673404
    4   0.000000000004401 -0.743075435585177 -0.000000000010549 -0.413249670317739  0.000000000004927
    5   1.198474819410620 -0.000000000001891 -0.790765770439164  0.000000000016643 -0.478894539751461
    6  -0.000000000002553  2.538555756943356  0.000000000006986 -0.502609356503962 -0.000000000013567
    7  -0.724065947425335  0.000000000006653  2.498262477408993 -0.000000000023827 -0.366443997936736
    8   0.000000000015443 -0.519664694835223 -0.000000000022723  1.555333425171615  0.000000000008168
    9  -0.483730155639365 -0.000000000013231 -0.404838324695760  0.000000000009154  1.768792958138610
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0054668415248
Norm of residual vector 0  after precondition    0.0054668415248
                     1   0.2535782342  -8.09e-05    5.47e-03      N
Norm of residual vector af preconditioning    0.0024147385287
Norm of final new C in schmidt_add():    0.999999999999996
Norm of residual vector 1  before precondition    0.0105612197960
Norm of residual vector 1  after precondition    0.0105612197960
                     2   0.2569222740  -3.69e-04    1.06e-02      N
Norm of residual vector af preconditioning    0.0043531193968
Norm of final new C in schmidt_add():    0.999999999999997
Iter=6    L=12  resetting norm
SigmaSS, D(norm sigma)=   0.8927515236
FSD    , D(norm sigma)=  -0.0000332660
WamefSD, D(norm sigma)=   0.0476143021
WmnieSD, D(norm sigma)=   0.0902726616
WmaijDS, D(norm sigma)=   0.0388734440
WabejDS, D(norm sigma)=   0.0129916610
WnmjeDS, D(norm sigma)=   0.0004572731
WbmfeDS, D(norm sigma)=  -0.0005818291
FDD_Fbe, D(norm sigma)=   0.9714073120
FDD_Fmj, D(norm sigma)=   0.8997801733
WmnijDD, D(norm sigma)=   0.4252186826
WabefDD, D(norm sigma)=   0.3962044138
WmbejDD, D(norm sigma)=  -1.0780492996
WmnefDD XAF, D(norm sigma)=   0.0055292139
WmnefDD XLI, D(norm sigma)=   0.0042827028
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.6771071312
FSD    , D(norm sigma)=  -0.0000080836
WamefSD, D(norm sigma)=   0.0535802274
WmnieSD, D(norm sigma)=   0.0620189763
WmaijDS, D(norm sigma)=   0.0513548091
WabejDS, D(norm sigma)=   0.0128250261
WnmjeDS, D(norm sigma)=   0.0001230635
WbmfeDS, D(norm sigma)=  -0.0002224633
FDD_Fbe, D(norm sigma)=   1.3064621790
FDD_Fmj, D(norm sigma)=   1.0066952610
WmnijDD, D(norm sigma)=   0.4708756898
WabefDD, D(norm sigma)=   0.3608537103
WmbejDD, D(norm sigma)=  -1.2687217914
WmnefDD XAF, D(norm sigma)=   0.0034185814
WmnefDD XLI, D(norm sigma)=   0.0006459909
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967
    8  -0.029140089531029 -0.000000000000831  0.244654552560192  0.000000000001133 -0.425686887690208
    9   0.000000000000204 -0.024294375450384 -0.000000000003203  0.268441800995994  0.000000000004409
   10  -0.014851508117013  0.000000000000310  0.015090330085531 -0.000000000001732  0.286336510359041
   11   0.000000000000026 -0.072270869474352  0.000000000001166  0.276189100731058 -0.000000000006600

                5                  6                  7                  8                  9        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243 -0.034424900020327  0.000000000000257
    1   0.023397609883747  0.000000000000866  0.052375509540089 -0.000000000000812 -0.034481639107101
    2   0.000000000001502 -0.361729425181979  0.000000000004043  0.236949117372269 -0.000000000003345
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170  0.000000000000800  0.261666691673404
    4   0.000000000004401 -0.743075435585177 -0.000000000010549 -0.413249670317739  0.000000000004927
    5   1.198474819410620 -0.000000000001891 -0.790765770439164  0.000000000016643 -0.478894539751461
    6  -0.000000000002553  2.538555756943356  0.000000000006986 -0.502609356503962 -0.000000000013567
    7  -0.724065947425335  0.000000000006653  2.498262477408993 -0.000000000023827 -0.366443997936736
    8   0.000000000015443 -0.519664694835223 -0.000000000022723  1.555333425171615  0.000000000008168
    9  -0.483730155639365 -0.000000000013231 -0.404838324695760  0.000000000009154  1.768792958138610
   10  -0.000000000000297 -0.241773565829938 -0.000000000002886 -0.870536278621529  0.000000000003340
   11   0.145751049511902  0.000000000014027 -0.267380710276597 -0.000000000012553 -0.717477893259901

               10                 11        

    0  -0.014867747767475  0.000000000000008
    1   0.000000000000726 -0.075498570136258
    2   0.022575853385211  0.000000000001380
    3  -0.000000000001802  0.280472748791107
    4   0.269628243176748 -0.000000000007363
    5   0.000000000000160  0.131671383616202
    6  -0.246437125133932  0.000000000014299
    7  -0.000000000003851 -0.280981034610525
    8  -0.905718556039360 -0.000000000011588
    9   0.000000000003568 -0.726912848249271
   10   2.101344836032549  0.000000000005870
   11   0.000000000004880  2.160261796573865
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0036629771011
Norm of residual vector 0  after precondition    0.0036629771011
                     1   0.2535495565  -2.87e-05    3.66e-03      N
Norm of residual vector af preconditioning    0.0020853492006
Norm of final new C in schmidt_add():    0.999999999999994
Norm of residual vector 1  before precondition    0.0040485969070
Norm of residual vector 1  after precondition    0.0040485969070
                     2   0.2568745317  -4.77e-05    4.05e-03      N
Norm of residual vector af preconditioning    0.0021500350133
Norm of final new C in schmidt_add():    1.000000000000001
Iter=7    L=14  resetting norm
SigmaSS, D(norm sigma)=   0.8343043507
FSD    , D(norm sigma)=   0.0000084061
WamefSD, D(norm sigma)=   0.0820820593
WmnieSD, D(norm sigma)=   0.1174269158
WmaijDS, D(norm sigma)=   0.0373582893
WabejDS, D(norm sigma)=   0.0154168226
WnmjeDS, D(norm sigma)=   0.0000477867
WbmfeDS, D(norm sigma)=  -0.0002580035
FDD_Fbe, D(norm sigma)=   1.4496539353
FDD_Fmj, D(norm sigma)=   1.0225791297
WmnijDD, D(norm sigma)=   0.4216570126
WabefDD, D(norm sigma)=   0.3987519944
WmbejDD, D(norm sigma)=  -1.2514843798
WmnefDD XAF, D(norm sigma)=   0.0047468270
WmnefDD XLI, D(norm sigma)=   0.0023301721
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.6954243733
FSD    , D(norm sigma)=   0.0000834696
WamefSD, D(norm sigma)=   0.0092821137
WmnieSD, D(norm sigma)=   0.0467123716
WmaijDS, D(norm sigma)=   0.0776667827
WabejDS, D(norm sigma)=   0.0288718959
WnmjeDS, D(norm sigma)=   0.0004493058
WbmfeDS, D(norm sigma)=  -0.0006538738
FDD_Fbe, D(norm sigma)=   1.0575530927
FDD_Fmj, D(norm sigma)=   0.8634994940
WmnijDD, D(norm sigma)=   0.3955544258
WabefDD, D(norm sigma)=   0.3239911336
WmbejDD, D(norm sigma)=  -0.9830013605
WmnefDD XAF, D(norm sigma)=   0.0025581325
WmnefDD XLI, D(norm sigma)=   0.0005742993
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967
    8  -0.029140089531029 -0.000000000000831  0.244654552560192  0.000000000001133 -0.425686887690208
    9   0.000000000000204 -0.024294375450384 -0.000000000003203  0.268441800995994  0.000000000004409
   10  -0.014851508117013  0.000000000000310  0.015090330085531 -0.000000000001732  0.286336510359041
   11   0.000000000000026 -0.072270869474352  0.000000000001166  0.276189100731058 -0.000000000006600
   12   0.019784308868751  0.000000000000614 -0.062724858645188 -0.000000000001463 -0.202162257854705
   13  -0.000000000002137 -0.060138183675466  0.000000000009209  0.290866307077301 -0.000000000000026

                5                  6                  7                  8                  9        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243 -0.034424900020327  0.000000000000257
    1   0.023397609883747  0.000000000000866  0.052375509540089 -0.000000000000812 -0.034481639107101
    2   0.000000000001502 -0.361729425181979  0.000000000004043  0.236949117372269 -0.000000000003345
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170  0.000000000000800  0.261666691673404
    4   0.000000000004401 -0.743075435585177 -0.000000000010549 -0.413249670317739  0.000000000004927
    5   1.198474819410620 -0.000000000001891 -0.790765770439164  0.000000000016643 -0.478894539751461
    6  -0.000000000002553  2.538555756943356  0.000000000006986 -0.502609356503962 -0.000000000013567
    7  -0.724065947425335  0.000000000006653  2.498262477408993 -0.000000000023827 -0.366443997936736
    8   0.000000000015443 -0.519664694835223 -0.000000000022723  1.555333425171615  0.000000000008168
    9  -0.483730155639365 -0.000000000013231 -0.404838324695760  0.000000000009154  1.768792958138610
   10  -0.000000000000297 -0.241773565829938 -0.000000000002886 -0.870536278621529  0.000000000003340
   11   0.145751049511902  0.000000000014027 -0.267380710276597 -0.000000000012553 -0.717477893259901
   12  -0.000000000001610  0.718150123344472 -0.000000000003260 -0.578270034630440 -0.000000000005926
   13  -0.111877881106936 -0.000000000009250 -0.186312572386738  0.000000000007325  0.204829753465966

               10                 11                 12                 13        

    0  -0.014867747767475  0.000000000000008  0.017490743359572 -0.000000000002070
    1   0.000000000000726 -0.075498570136258  0.000000000000472 -0.064755938722848
    2   0.022575853385211  0.000000000001380 -0.056124896757594  0.000000000009293
    3  -0.000000000001802  0.280472748791107 -0.000000000001682  0.291124732676164
    4   0.269628243176748 -0.000000000007363 -0.221378669762642  0.000000000000175
    5   0.000000000000160  0.131671383616202 -0.000000000001116 -0.121533307752282
    6  -0.246437125133932  0.000000000014299  0.737797713335195 -0.000000000009567
    7  -0.000000000003851 -0.280981034610525 -0.000000000002494 -0.182727082276089
    8  -0.905718556039360 -0.000000000011588 -0.559518491633337  0.000000000009294
    9   0.000000000003568 -0.726912848249271 -0.000000000005620  0.197197940248158
   10   2.101344836032549  0.000000000005870 -0.658222493731094 -0.000000000005974
   11   0.000000000004880  2.160261796573865  0.000000000013410  0.863242553771871
   12  -0.679094433162988  0.000000000012787  2.471845853620399 -0.000000000000071
   13  -0.000000000006263  0.869881356520232 -0.000000000000747  1.822378460940286
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0022382806264
Norm of residual vector 0  after precondition    0.0022382806264
                     1   0.2535357326  -1.38e-05    2.24e-03      N
Norm of residual vector af preconditioning    0.0009475010137
Norm of final new C in schmidt_add():    1.000000000000004
Norm of residual vector 1  before precondition    0.0022072096444
Norm of residual vector 1  after precondition    0.0022072096444
                     2   0.2568554884  -1.90e-05    2.21e-03      N
Norm of residual vector af preconditioning    0.0010443870468
Norm of final new C in schmidt_add():    0.999999999999999
Iter=8    L=16  resetting norm
SigmaSS, D(norm sigma)=   1.1644070585
FSD    , D(norm sigma)=   0.0000274651
WamefSD, D(norm sigma)=   0.0373883351
WmnieSD, D(norm sigma)=   0.1089441462
WmaijDS, D(norm sigma)=   0.0440172620
WabejDS, D(norm sigma)=   0.0235037767
WnmjeDS, D(norm sigma)=   0.0002383436
WbmfeDS, D(norm sigma)=  -0.0000629551
FDD_Fbe, D(norm sigma)=   0.9861049265
FDD_Fmj, D(norm sigma)=   0.7914115524
WmnijDD, D(norm sigma)=   0.3470028575
WabefDD, D(norm sigma)=   0.3173621221
WmbejDD, D(norm sigma)=  -0.9727857001
WmnefDD XAF, D(norm sigma)=   0.0036287409
WmnefDD XLI, D(norm sigma)=   0.0003479275
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.7373793601
FSD    , D(norm sigma)=   0.0002162765
WamefSD, D(norm sigma)=   0.0267228852
WmnieSD, D(norm sigma)=   0.1004462326
WmaijDS, D(norm sigma)=   0.0587158262
WabejDS, D(norm sigma)=   0.0340019891
WnmjeDS, D(norm sigma)=   0.0014650693
WbmfeDS, D(norm sigma)=  -0.0005443243
FDD_Fbe, D(norm sigma)=   0.9531609635
FDD_Fmj, D(norm sigma)=   0.9155939573
WmnijDD, D(norm sigma)=   0.4550774931
WabefDD, D(norm sigma)=   0.4082018741
WmbejDD, D(norm sigma)=  -1.0111659188
WmnefDD XAF, D(norm sigma)=   0.0032147695
WmnefDD XLI, D(norm sigma)=   0.0012380004
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967
    8  -0.029140089531029 -0.000000000000831  0.244654552560192  0.000000000001133 -0.425686887690208
    9   0.000000000000204 -0.024294375450384 -0.000000000003203  0.268441800995994  0.000000000004409
   10  -0.014851508117013  0.000000000000310  0.015090330085531 -0.000000000001732  0.286336510359041
   11   0.000000000000026 -0.072270869474352  0.000000000001166  0.276189100731058 -0.000000000006600
   12   0.019784308868751  0.000000000000614 -0.062724858645188 -0.000000000001463 -0.202162257854705
   13  -0.000000000002137 -0.060138183675466  0.000000000009209  0.290866307077301 -0.000000000000026
   14  -0.015947315896609  0.000000000002494  0.051689985110285 -0.000000000009578  0.085630841376329
   15   0.000000000001455 -0.016996040601174 -0.000000000009612  0.040392096668338  0.000000000015578

                5                  6                  7                  8                  9        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243 -0.034424900020327  0.000000000000257
    1   0.023397609883747  0.000000000000866  0.052375509540089 -0.000000000000812 -0.034481639107101
    2   0.000000000001502 -0.361729425181979  0.000000000004043  0.236949117372269 -0.000000000003345
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170  0.000000000000800  0.261666691673404
    4   0.000000000004401 -0.743075435585177 -0.000000000010549 -0.413249670317739  0.000000000004927
    5   1.198474819410620 -0.000000000001891 -0.790765770439164  0.000000000016643 -0.478894539751461
    6  -0.000000000002553  2.538555756943356  0.000000000006986 -0.502609356503962 -0.000000000013567
    7  -0.724065947425335  0.000000000006653  2.498262477408993 -0.000000000023827 -0.366443997936736
    8   0.000000000015443 -0.519664694835223 -0.000000000022723  1.555333425171615  0.000000000008168
    9  -0.483730155639365 -0.000000000013231 -0.404838324695760  0.000000000009154  1.768792958138610
   10  -0.000000000000297 -0.241773565829938 -0.000000000002886 -0.870536278621529  0.000000000003340
   11   0.145751049511902  0.000000000014027 -0.267380710276597 -0.000000000012553 -0.717477893259901
   12  -0.000000000001610  0.718150123344472 -0.000000000003260 -0.578270034630440 -0.000000000005926
   13  -0.111877881106936 -0.000000000009250 -0.186312572386738  0.000000000007325  0.204829753465966
   14  -0.000000000003014  0.014615371676119  0.000000000007584 -0.350324077440610  0.000000000001132
   15   0.109562140295669 -0.000000000006530 -0.098012949964320 -0.000000000004688 -0.193710678608617

               10                 11                 12                 13                 14        

    0  -0.014867747767475  0.000000000000008  0.017490743359572 -0.000000000002070 -0.015059584859016
    1   0.000000000000726 -0.075498570136258  0.000000000000472 -0.064755938722848  0.000000000002581
    2   0.022575853385211  0.000000000001380 -0.056124896757594  0.000000000009293  0.051164654975780
    3  -0.000000000001802  0.280472748791107 -0.000000000001682  0.291124732676164 -0.000000000009850
    4   0.269628243176748 -0.000000000007363 -0.221378669762642  0.000000000000175  0.081757966575722
    5   0.000000000000160  0.131671383616202 -0.000000000001116 -0.121533307752282 -0.000000000002247
    6  -0.246437125133932  0.000000000014299  0.737797713335195 -0.000000000009567  0.013941124854497
    7  -0.000000000003851 -0.280981034610525 -0.000000000002494 -0.182727082276089  0.000000000007978
    8  -0.905718556039360 -0.000000000011588 -0.559518491633337  0.000000000009294 -0.320673231207513
    9   0.000000000003568 -0.726912848249271 -0.000000000005620  0.197197940248158  0.000000000002162
   10   2.101344836032549  0.000000000005870 -0.658222493731094 -0.000000000005974  0.332559816035806
   11   0.000000000004880  2.160261796573865  0.000000000013410  0.863242553771871 -0.000000000011660
   12  -0.679094433162988  0.000000000012787  2.471845853620399 -0.000000000000071  0.898940652600818
   13  -0.000000000006263  0.869881356520232 -0.000000000000747  1.822378460940286  0.000000000007498
   14   0.320428366643349 -0.000000000011783  0.903134424567168  0.000000000008958  2.215933845949391
   15  -0.000000000009231  0.143536583649072  0.000000000044616 -0.836082173334637  0.000000000050073

               15        

    0   0.000000000001559
    1  -0.018100504093784
    2  -0.000000000009871
    3   0.042923084258280
    4   0.000000000016301
    5   0.103899628744585
    6  -0.000000000006802
    7  -0.092862817428445
    8  -0.000000000004115
    9  -0.194254578852712
   10  -0.000000000010650
   11   0.153499155523873
   12   0.000000000045329
   13  -0.847414289940905
   14   0.000000000050687
   15   2.039327338879366
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0011273991467
Norm of residual vector 0  after precondition    0.0011273991467
                     1   0.2535275005  -8.23e-06    1.13e-03      N
Norm of residual vector af preconditioning    0.0005287432513
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0014586397875
Norm of residual vector 1  after precondition    0.0014586397875
                     2   0.2568486425  -6.85e-06    1.46e-03      N
Norm of residual vector af preconditioning    0.0007167351172
Norm of final new C in schmidt_add():    0.999999999999997
Iter=9    L=18  resetting norm
SigmaSS, D(norm sigma)=   0.7651999173
FSD    , D(norm sigma)=  -0.0000212982
WamefSD, D(norm sigma)=   0.0738097214
WmnieSD, D(norm sigma)=   0.0754543058
WmaijDS, D(norm sigma)=   0.0432773069
WabejDS, D(norm sigma)=   0.0248818563
WnmjeDS, D(norm sigma)=   0.0002818878
WbmfeDS, D(norm sigma)=  -0.0001625570
FDD_Fbe, D(norm sigma)=   1.2491292434
FDD_Fmj, D(norm sigma)=   0.9597943479
WmnijDD, D(norm sigma)=   0.4043304017
WabefDD, D(norm sigma)=   0.4024913469
WmbejDD, D(norm sigma)=  -1.2749509293
WmnefDD XAF, D(norm sigma)=   0.0032333565
WmnefDD XLI, D(norm sigma)=   0.0007280870
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.5714260055
FSD    , D(norm sigma)=   0.0000427017
WamefSD, D(norm sigma)=   0.0507491382
WmnieSD, D(norm sigma)=   0.0751692113
WmaijDS, D(norm sigma)=   0.0653017520
WabejDS, D(norm sigma)=   0.0384518723
WnmjeDS, D(norm sigma)=   0.0016027641
WbmfeDS, D(norm sigma)=   0.0000240325
FDD_Fbe, D(norm sigma)=   1.1097414215
FDD_Fmj, D(norm sigma)=   0.9713375167
WmnijDD, D(norm sigma)=   0.4643034985
WabefDD, D(norm sigma)=   0.4009633062
WmbejDD, D(norm sigma)=  -1.0406817361
WmnefDD XAF, D(norm sigma)=   0.0030640588
WmnefDD XLI, D(norm sigma)=   0.0008282707
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967
    8  -0.029140089531029 -0.000000000000831  0.244654552560192  0.000000000001133 -0.425686887690208
    9   0.000000000000204 -0.024294375450384 -0.000000000003203  0.268441800995994  0.000000000004409
   10  -0.014851508117013  0.000000000000310  0.015090330085531 -0.000000000001732  0.286336510359041
   11   0.000000000000026 -0.072270869474352  0.000000000001166  0.276189100731058 -0.000000000006600
   12   0.019784308868751  0.000000000000614 -0.062724858645188 -0.000000000001463 -0.202162257854705
   13  -0.000000000002137 -0.060138183675466  0.000000000009209  0.290866307077301 -0.000000000000026
   14  -0.015947315896609  0.000000000002494  0.051689985110285 -0.000000000009578  0.085630841376329
   15   0.000000000001455 -0.016996040601174 -0.000000000009612  0.040392096668338  0.000000000015578
   16  -0.046719821543369  0.000000000002106  0.187929876543052 -0.000000000009104  0.126314117867520
   17  -0.000000000000054  0.045749444816983  0.000000000001442 -0.182954035591669 -0.000000000006231

                5                  6                  7                  8                  9        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243 -0.034424900020327  0.000000000000257
    1   0.023397609883747  0.000000000000866  0.052375509540089 -0.000000000000812 -0.034481639107101
    2   0.000000000001502 -0.361729425181979  0.000000000004043  0.236949117372269 -0.000000000003345
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170  0.000000000000800  0.261666691673404
    4   0.000000000004401 -0.743075435585177 -0.000000000010549 -0.413249670317739  0.000000000004927
    5   1.198474819410620 -0.000000000001891 -0.790765770439164  0.000000000016643 -0.478894539751461
    6  -0.000000000002553  2.538555756943356  0.000000000006986 -0.502609356503962 -0.000000000013567
    7  -0.724065947425335  0.000000000006653  2.498262477408993 -0.000000000023827 -0.366443997936736
    8   0.000000000015443 -0.519664694835223 -0.000000000022723  1.555333425171615  0.000000000008168
    9  -0.483730155639365 -0.000000000013231 -0.404838324695760  0.000000000009154  1.768792958138610
   10  -0.000000000000297 -0.241773565829938 -0.000000000002886 -0.870536278621529  0.000000000003340
   11   0.145751049511902  0.000000000014027 -0.267380710276597 -0.000000000012553 -0.717477893259901
   12  -0.000000000001610  0.718150123344472 -0.000000000003260 -0.578270034630440 -0.000000000005926
   13  -0.111877881106936 -0.000000000009250 -0.186312572386738  0.000000000007325  0.204829753465966
   14  -0.000000000003014  0.014615371676119  0.000000000007584 -0.350324077440610  0.000000000001132
   15   0.109562140295669 -0.000000000006530 -0.098012949964320 -0.000000000004688 -0.193710678608617
   16   0.000000000000441 -0.316356535921298  0.000000000011197  0.082096533146208 -0.000000000007533
   17  -0.039458678576861  0.000000000006100  0.172397639597099  0.000000000003735 -0.009060359671056

               10                 11                 12                 13                 14        

    0  -0.014867747767475  0.000000000000008  0.017490743359572 -0.000000000002070 -0.015059584859016
    1   0.000000000000726 -0.075498570136258  0.000000000000472 -0.064755938722848  0.000000000002581
    2   0.022575853385211  0.000000000001380 -0.056124896757594  0.000000000009293  0.051164654975780
    3  -0.000000000001802  0.280472748791107 -0.000000000001682  0.291124732676164 -0.000000000009850
    4   0.269628243176748 -0.000000000007363 -0.221378669762642  0.000000000000175  0.081757966575722
    5   0.000000000000160  0.131671383616202 -0.000000000001116 -0.121533307752282 -0.000000000002247
    6  -0.246437125133932  0.000000000014299  0.737797713335195 -0.000000000009567  0.013941124854497
    7  -0.000000000003851 -0.280981034610525 -0.000000000002494 -0.182727082276089  0.000000000007978
    8  -0.905718556039360 -0.000000000011588 -0.559518491633337  0.000000000009294 -0.320673231207513
    9   0.000000000003568 -0.726912848249271 -0.000000000005620  0.197197940248158  0.000000000002162
   10   2.101344836032549  0.000000000005870 -0.658222493731094 -0.000000000005974  0.332559816035806
   11   0.000000000004880  2.160261796573865  0.000000000013410  0.863242553771871 -0.000000000011660
   12  -0.679094433162988  0.000000000012787  2.471845853620399 -0.000000000000071  0.898940652600818
   13  -0.000000000006263  0.869881356520232 -0.000000000000747  1.822378460940286  0.000000000007498
   14   0.320428366643349 -0.000000000011783  0.903134424567168  0.000000000008958  2.215933845949391
   15  -0.000000000009231  0.143536583649072  0.000000000044616 -0.836082173334637  0.000000000050073
   16   0.238742347566451 -0.000000000009611 -0.435433898127213 -0.000000000002236  0.791827408971747
   17  -0.000000000018686 -0.317966519607080  0.000000000018671 -0.304475379785274 -0.000000000000420

               15                 16                 17        

    0   0.000000000001559 -0.045600665787520 -0.000000000000199
    1  -0.018100504093784  0.000000000002151  0.046693627318955
    2  -0.000000000009871  0.183355003061556  0.000000000001877
    3   0.042923084258280 -0.000000000009114 -0.179401998960031
    4   0.000000000016301  0.129982851020442 -0.000000000006158
    5   0.103899628744585  0.000000000000540 -0.035019086741058
    6  -0.000000000006802 -0.324200302232220  0.000000000006464
    7  -0.092862817428445  0.000000000011789  0.170879376952160
    8  -0.000000000004115  0.102922608015300  0.000000000004760
    9  -0.194254578852712 -0.000000000007098 -0.007705819201844
   10  -0.000000000010650  0.247900623296711 -0.000000000018574
   11   0.153499155523873 -0.000000000008548 -0.328465674569617
   12   0.000000000045329 -0.435054529789549  0.000000000020221
   13  -0.847414289940905 -0.000000000002352 -0.293256505580653
   14   0.000000000050687  0.797845529047822  0.000000000000851
   15   2.039327338879366 -0.000000000001581 -0.831118342950111
   16   0.000000000000312  2.080579750673997  0.000000000005002
   17  -0.830983922569913  0.000000000004726  2.052920179277280
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0006543169516
Norm of residual vector 0  after precondition    0.0006543169516
                     1   0.2535281275   6.27e-07    6.54e-04      N
Norm of residual vector af preconditioning    0.0002966262127
Norm of final new C in schmidt_add():    0.999999999999999
Norm of residual vector 1  before precondition    0.0010110568117
Norm of residual vector 1  after precondition    0.0010110568117
                     2   0.2568478736  -7.69e-07    1.01e-03      N
Norm of residual vector af preconditioning    0.0005605612400
Norm of final new C in schmidt_add():    1.000000000000001
Iter=10   L=20  resetting norm
SigmaSS, D(norm sigma)=   0.9681584146
FSD    , D(norm sigma)=   0.0000092266
WamefSD, D(norm sigma)=   0.0680842605
WmnieSD, D(norm sigma)=   0.0767807632
WmaijDS, D(norm sigma)=   0.0492493705
WabejDS, D(norm sigma)=   0.0219796004
WnmjeDS, D(norm sigma)=   0.0005718502
WbmfeDS, D(norm sigma)=  -0.0008049834
FDD_Fbe, D(norm sigma)=   1.2056469557
FDD_Fmj, D(norm sigma)=   0.8799337603
WmnijDD, D(norm sigma)=   0.3678571190
WabefDD, D(norm sigma)=   0.3432245723
WmbejDD, D(norm sigma)=  -1.0374182535
WmnefDD XAF, D(norm sigma)=   0.0025851509
WmnefDD XLI, D(norm sigma)=   0.0010035972
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.7474048105
FSD    , D(norm sigma)=   0.0001247976
WamefSD, D(norm sigma)=   0.0006773546
WmnieSD, D(norm sigma)=   0.0578519157
WmaijDS, D(norm sigma)=   0.0719944922
WabejDS, D(norm sigma)=   0.0411742761
WnmjeDS, D(norm sigma)=   0.0011110948
WbmfeDS, D(norm sigma)=  -0.0002126680
FDD_Fbe, D(norm sigma)=   0.9980164455
FDD_Fmj, D(norm sigma)=   0.8886195423
WmnijDD, D(norm sigma)=   0.4247544249
WabefDD, D(norm sigma)=   0.3566042783
WmbejDD, D(norm sigma)=  -1.0037434689
WmnefDD XAF, D(norm sigma)=   0.0020282068
WmnefDD XLI, D(norm sigma)=   0.0002140853
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967
    8  -0.029140089531029 -0.000000000000831  0.244654552560192  0.000000000001133 -0.425686887690208
    9   0.000000000000204 -0.024294375450384 -0.000000000003203  0.268441800995994  0.000000000004409
   10  -0.014851508117013  0.000000000000310  0.015090330085531 -0.000000000001732  0.286336510359041
   11   0.000000000000026 -0.072270869474352  0.000000000001166  0.276189100731058 -0.000000000006600
   12   0.019784308868751  0.000000000000614 -0.062724858645188 -0.000000000001463 -0.202162257854705
   13  -0.000000000002137 -0.060138183675466  0.000000000009209  0.290866307077301 -0.000000000000026
   14  -0.015947315896609  0.000000000002494  0.051689985110285 -0.000000000009578  0.085630841376329
   15   0.000000000001455 -0.016996040601174 -0.000000000009612  0.040392096668338  0.000000000015578
   16  -0.046719821543369  0.000000000002106  0.187929876543052 -0.000000000009104  0.126314117867520
   17  -0.000000000000054  0.045749444816983  0.000000000001442 -0.182954035591669 -0.000000000006231
   18  -0.012925309907610  0.000000000000227  0.102019877749132 -0.000000000001861 -0.207179618003462
   19  -0.000000000001913 -0.004831163209098  0.000000000012089  0.024156287706065 -0.000000000018094

                5                  6                  7                  8                  9        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243 -0.034424900020327  0.000000000000257
    1   0.023397609883747  0.000000000000866  0.052375509540089 -0.000000000000812 -0.034481639107101
    2   0.000000000001502 -0.361729425181979  0.000000000004043  0.236949117372269 -0.000000000003345
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170  0.000000000000800  0.261666691673404
    4   0.000000000004401 -0.743075435585177 -0.000000000010549 -0.413249670317739  0.000000000004927
    5   1.198474819410620 -0.000000000001891 -0.790765770439164  0.000000000016643 -0.478894539751461
    6  -0.000000000002553  2.538555756943356  0.000000000006986 -0.502609356503962 -0.000000000013567
    7  -0.724065947425335  0.000000000006653  2.498262477408993 -0.000000000023827 -0.366443997936736
    8   0.000000000015443 -0.519664694835223 -0.000000000022723  1.555333425171615  0.000000000008168
    9  -0.483730155639365 -0.000000000013231 -0.404838324695760  0.000000000009154  1.768792958138610
   10  -0.000000000000297 -0.241773565829938 -0.000000000002886 -0.870536278621529  0.000000000003340
   11   0.145751049511902  0.000000000014027 -0.267380710276597 -0.000000000012553 -0.717477893259901
   12  -0.000000000001610  0.718150123344472 -0.000000000003260 -0.578270034630440 -0.000000000005926
   13  -0.111877881106936 -0.000000000009250 -0.186312572386738  0.000000000007325  0.204829753465966
   14  -0.000000000003014  0.014615371676119  0.000000000007584 -0.350324077440610  0.000000000001132
   15   0.109562140295669 -0.000000000006530 -0.098012949964320 -0.000000000004688 -0.193710678608617
   16   0.000000000000441 -0.316356535921298  0.000000000011197  0.082096533146208 -0.000000000007533
   17  -0.039458678576861  0.000000000006100  0.172397639597099  0.000000000003735 -0.009060359671056
   18   0.000000000002604  0.091870480879719  0.000000000010290  0.152725917244873 -0.000000000014963
   19   0.023203814335093  0.000000000011350 -0.221540531971532  0.000000000009365  0.261061751687486

               10                 11                 12                 13                 14        

    0  -0.014867747767475  0.000000000000008  0.017490743359572 -0.000000000002070 -0.015059584859016
    1   0.000000000000726 -0.075498570136258  0.000000000000472 -0.064755938722848  0.000000000002581
    2   0.022575853385211  0.000000000001380 -0.056124896757594  0.000000000009293  0.051164654975780
    3  -0.000000000001802  0.280472748791107 -0.000000000001682  0.291124732676164 -0.000000000009850
    4   0.269628243176748 -0.000000000007363 -0.221378669762642  0.000000000000175  0.081757966575722
    5   0.000000000000160  0.131671383616202 -0.000000000001116 -0.121533307752282 -0.000000000002247
    6  -0.246437125133932  0.000000000014299  0.737797713335195 -0.000000000009567  0.013941124854497
    7  -0.000000000003851 -0.280981034610525 -0.000000000002494 -0.182727082276089  0.000000000007978
    8  -0.905718556039360 -0.000000000011588 -0.559518491633337  0.000000000009294 -0.320673231207513
    9   0.000000000003568 -0.726912848249271 -0.000000000005620  0.197197940248158  0.000000000002162
   10   2.101344836032549  0.000000000005870 -0.658222493731094 -0.000000000005974  0.332559816035806
   11   0.000000000004880  2.160261796573865  0.000000000013410  0.863242553771871 -0.000000000011660
   12  -0.679094433162988  0.000000000012787  2.471845853620399 -0.000000000000071  0.898940652600818
   13  -0.000000000006263  0.869881356520232 -0.000000000000747  1.822378460940286  0.000000000007498
   14   0.320428366643349 -0.000000000011783  0.903134424567168  0.000000000008958  2.215933845949391
   15  -0.000000000009231  0.143536583649072  0.000000000044616 -0.836082173334637  0.000000000050073
   16   0.238742347566451 -0.000000000009611 -0.435433898127213 -0.000000000002236  0.791827408971747
   17  -0.000000000018686 -0.317966519607080  0.000000000018671 -0.304475379785274 -0.000000000000420
   18  -0.081656763348867 -0.000000000010366 -0.367488615789657 -0.000000000051746 -0.489748438665404
   19  -0.000000000010024 -0.135125250483609  0.000000000004599  0.389729501782498 -0.000000000001378

               15                 16                 17                 18                 19        

    0   0.000000000001559 -0.045600665787520 -0.000000000000199 -0.018976636982799 -0.000000000002396
    1  -0.018100504093784  0.000000000002151  0.046693627318955  0.000000000000336 -0.006698971139288
    2  -0.000000000009871  0.183355003061556  0.000000000001877  0.110255503044390  0.000000000012830
    3   0.042923084258280 -0.000000000009114 -0.179401998960031 -0.000000000001835  0.023897306472147
    4   0.000000000016301  0.129982851020442 -0.000000000006158 -0.220864431481962 -0.000000000019466
    5   0.103899628744585  0.000000000000540 -0.035019086741058  0.000000000002558  0.030794263891115
    6  -0.000000000006802 -0.324200302232220  0.000000000006464  0.098314095001054  0.000000000011748
    7  -0.092862817428445  0.000000000011789  0.170879376952160  0.000000000010642 -0.227059872521828
    8  -0.000000000004115  0.102922608015300  0.000000000004760  0.150583959359432  0.000000000009510
    9  -0.194254578852712 -0.000000000007098 -0.007705819201844 -0.000000000014619  0.269190320784140
   10  -0.000000000010650  0.247900623296711 -0.000000000018574 -0.064814249892274 -0.000000000009470
   11   0.153499155523873 -0.000000000008548 -0.328465674569617 -0.000000000009670 -0.131974355587160
   12   0.000000000045329 -0.435054529789549  0.000000000020221 -0.366444463763482  0.000000000004673
   13  -0.847414289940905 -0.000000000002352 -0.293256505580653 -0.000000000053647  0.388582488563972
   14   0.000000000050687  0.797845529047822  0.000000000000851 -0.487331620129517 -0.000000000000209
   15   2.039327338879366 -0.000000000001581 -0.831118342950111  0.000000000031353 -0.401307133314058
   16   0.000000000000312  2.080579750673997  0.000000000005002  0.739509800535865  0.000000000022993
   17  -0.830983922569913  0.000000000004726  2.052920179277280  0.000000000013423 -0.845214409432914
   18   0.000000000031211  0.742367871230166  0.000000000015298  2.253812217620242  0.000000000009864
   19  -0.394167905600772  0.000000000022424 -0.860699567301518  0.000000000009720  1.922717966864782
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0003391037967
Norm of residual vector 0  after precondition    0.0003391037967
                     1   0.2535288388   7.11e-07    3.39e-04      N
Norm of residual vector af preconditioning    0.0001494267202
Norm of final new C in schmidt_add():    1.000000000000002
Norm of residual vector 1  before precondition    0.0008504795518
Norm of residual vector 1  after precondition    0.0008504795518
                     2   0.2568506686   2.80e-06    8.50e-04      N
Norm of residual vector af preconditioning    0.0003338229433
Norm of final new C in schmidt_add():    0.999999999999996
Iter=11   L=22  resetting norm
SigmaSS, D(norm sigma)=   1.2013837011
FSD    , D(norm sigma)=  -0.0000150431
WamefSD, D(norm sigma)=   0.0630788862
WmnieSD, D(norm sigma)=   0.0759915006
WmaijDS, D(norm sigma)=   0.0364811506
WabejDS, D(norm sigma)=   0.0168064203
WnmjeDS, D(norm sigma)=   0.0001773148
WbmfeDS, D(norm sigma)=  -0.0001623512
FDD_Fbe, D(norm sigma)=   1.0387788680
FDD_Fmj, D(norm sigma)=   0.8773870571
WmnijDD, D(norm sigma)=   0.3972309153
WabefDD, D(norm sigma)=   0.3727502142
WmbejDD, D(norm sigma)=  -1.0162384180
WmnefDD XAF, D(norm sigma)=   0.0034097947
WmnefDD XLI, D(norm sigma)=   0.0041840082
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.6432436703
FSD    , D(norm sigma)=   0.0001350699
WamefSD, D(norm sigma)=   0.0451494342
WmnieSD, D(norm sigma)=   0.1085512017
WmaijDS, D(norm sigma)=   0.0320442844
WabejDS, D(norm sigma)=   0.0126003251
WnmjeDS, D(norm sigma)=   0.0002555905
WbmfeDS, D(norm sigma)=  -0.0001982086
FDD_Fbe, D(norm sigma)=   1.3101816071
FDD_Fmj, D(norm sigma)=   1.1553756104
WmnijDD, D(norm sigma)=   0.5472515132
WabefDD, D(norm sigma)=   0.4395827157
WmbejDD, D(norm sigma)=  -1.2812039514
WmnefDD XAF, D(norm sigma)=   0.0030816713
WmnefDD XLI, D(norm sigma)=   0.0010332150
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967
    8  -0.029140089531029 -0.000000000000831  0.244654552560192  0.000000000001133 -0.425686887690208
    9   0.000000000000204 -0.024294375450384 -0.000000000003203  0.268441800995994  0.000000000004409
   10  -0.014851508117013  0.000000000000310  0.015090330085531 -0.000000000001732  0.286336510359041
   11   0.000000000000026 -0.072270869474352  0.000000000001166  0.276189100731058 -0.000000000006600
   12   0.019784308868751  0.000000000000614 -0.062724858645188 -0.000000000001463 -0.202162257854705
   13  -0.000000000002137 -0.060138183675466  0.000000000009209  0.290866307077301 -0.000000000000026
   14  -0.015947315896609  0.000000000002494  0.051689985110285 -0.000000000009578  0.085630841376329
   15   0.000000000001455 -0.016996040601174 -0.000000000009612  0.040392096668338  0.000000000015578
   16  -0.046719821543369  0.000000000002106  0.187929876543052 -0.000000000009104  0.126314117867520
   17  -0.000000000000054  0.045749444816983  0.000000000001442 -0.182954035591669 -0.000000000006231
   18  -0.012925309907610  0.000000000000227  0.102019877749132 -0.000000000001861 -0.207179618003462
   19  -0.000000000001913 -0.004831163209098  0.000000000012089  0.024156287706065 -0.000000000018094
   20   0.005218823312463 -0.000000000002416 -0.051187367077408  0.000000000008023  0.140650226553395
   21  -0.000000000001567  0.026701103397718  0.000000000005951 -0.075674301938127  0.000000000003400

                5                  6                  7                  8                  9        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243 -0.034424900020327  0.000000000000257
    1   0.023397609883747  0.000000000000866  0.052375509540089 -0.000000000000812 -0.034481639107101
    2   0.000000000001502 -0.361729425181979  0.000000000004043  0.236949117372269 -0.000000000003345
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170  0.000000000000800  0.261666691673404
    4   0.000000000004401 -0.743075435585177 -0.000000000010549 -0.413249670317739  0.000000000004927
    5   1.198474819410620 -0.000000000001891 -0.790765770439164  0.000000000016643 -0.478894539751461
    6  -0.000000000002553  2.538555756943356  0.000000000006986 -0.502609356503962 -0.000000000013567
    7  -0.724065947425335  0.000000000006653  2.498262477408993 -0.000000000023827 -0.366443997936736
    8   0.000000000015443 -0.519664694835223 -0.000000000022723  1.555333425171615  0.000000000008168
    9  -0.483730155639365 -0.000000000013231 -0.404838324695760  0.000000000009154  1.768792958138610
   10  -0.000000000000297 -0.241773565829938 -0.000000000002886 -0.870536278621529  0.000000000003340
   11   0.145751049511902  0.000000000014027 -0.267380710276597 -0.000000000012553 -0.717477893259901
   12  -0.000000000001610  0.718150123344472 -0.000000000003260 -0.578270034630440 -0.000000000005926
   13  -0.111877881106936 -0.000000000009250 -0.186312572386738  0.000000000007325  0.204829753465966
   14  -0.000000000003014  0.014615371676119  0.000000000007584 -0.350324077440610  0.000000000001132
   15   0.109562140295669 -0.000000000006530 -0.098012949964320 -0.000000000004688 -0.193710678608617
   16   0.000000000000441 -0.316356535921298  0.000000000011197  0.082096533146208 -0.000000000007533
   17  -0.039458678576861  0.000000000006100  0.172397639597099  0.000000000003735 -0.009060359671056
   18   0.000000000002604  0.091870480879719  0.000000000010290  0.152725917244873 -0.000000000014963
   19   0.023203814335093  0.000000000011350 -0.221540531971532  0.000000000009365  0.261061751687486
   20   0.000000000006001 -0.170199036545988 -0.000000000005742  0.190665468772191 -0.000000000011266
   21  -0.130746668317938 -0.000000000009741  0.187393457601329  0.000000000012165  0.104888370485939

               10                 11                 12                 13                 14        

    0  -0.014867747767475  0.000000000000008  0.017490743359572 -0.000000000002070 -0.015059584859016
    1   0.000000000000726 -0.075498570136258  0.000000000000472 -0.064755938722848  0.000000000002581
    2   0.022575853385211  0.000000000001380 -0.056124896757594  0.000000000009293  0.051164654975780
    3  -0.000000000001802  0.280472748791107 -0.000000000001682  0.291124732676164 -0.000000000009850
    4   0.269628243176748 -0.000000000007363 -0.221378669762642  0.000000000000175  0.081757966575722
    5   0.000000000000160  0.131671383616202 -0.000000000001116 -0.121533307752282 -0.000000000002247
    6  -0.246437125133932  0.000000000014299  0.737797713335195 -0.000000000009567  0.013941124854497
    7  -0.000000000003851 -0.280981034610525 -0.000000000002494 -0.182727082276089  0.000000000007978
    8  -0.905718556039360 -0.000000000011588 -0.559518491633337  0.000000000009294 -0.320673231207513
    9   0.000000000003568 -0.726912848249271 -0.000000000005620  0.197197940248158  0.000000000002162
   10   2.101344836032549  0.000000000005870 -0.658222493731094 -0.000000000005974  0.332559816035806
   11   0.000000000004880  2.160261796573865  0.000000000013410  0.863242553771871 -0.000000000011660
   12  -0.679094433162988  0.000000000012787  2.471845853620399 -0.000000000000071  0.898940652600818
   13  -0.000000000006263  0.869881356520232 -0.000000000000747  1.822378460940286  0.000000000007498
   14   0.320428366643349 -0.000000000011783  0.903134424567168  0.000000000008958  2.215933845949391
   15  -0.000000000009231  0.143536583649072  0.000000000044616 -0.836082173334637  0.000000000050073
   16   0.238742347566451 -0.000000000009611 -0.435433898127213 -0.000000000002236  0.791827408971747
   17  -0.000000000018686 -0.317966519607080  0.000000000018671 -0.304475379785274 -0.000000000000420
   18  -0.081656763348867 -0.000000000010366 -0.367488615789657 -0.000000000051746 -0.489748438665404
   19  -0.000000000010024 -0.135125250483609  0.000000000004599  0.389729501782498 -0.000000000001378
   20  -0.351805538319582  0.000000000028136  0.076645467902265  0.000000000038401 -0.232977653949706
   21  -0.000000000025120 -0.261055892396526  0.000000000004970 -0.157452504188967 -0.000000000016842

               15                 16                 17                 18                 19        

    0   0.000000000001559 -0.045600665787520 -0.000000000000199 -0.018976636982799 -0.000000000002396
    1  -0.018100504093784  0.000000000002151  0.046693627318955  0.000000000000336 -0.006698971139288
    2  -0.000000000009871  0.183355003061556  0.000000000001877  0.110255503044390  0.000000000012830
    3   0.042923084258280 -0.000000000009114 -0.179401998960031 -0.000000000001835  0.023897306472147
    4   0.000000000016301  0.129982851020442 -0.000000000006158 -0.220864431481962 -0.000000000019466
    5   0.103899628744585  0.000000000000540 -0.035019086741058  0.000000000002558  0.030794263891115
    6  -0.000000000006802 -0.324200302232220  0.000000000006464  0.098314095001054  0.000000000011748
    7  -0.092862817428445  0.000000000011789  0.170879376952160  0.000000000010642 -0.227059872521828
    8  -0.000000000004115  0.102922608015300  0.000000000004760  0.150583959359432  0.000000000009510
    9  -0.194254578852712 -0.000000000007098 -0.007705819201844 -0.000000000014619  0.269190320784140
   10  -0.000000000010650  0.247900623296711 -0.000000000018574 -0.064814249892274 -0.000000000009470
   11   0.153499155523873 -0.000000000008548 -0.328465674569617 -0.000000000009670 -0.131974355587160
   12   0.000000000045329 -0.435054529789549  0.000000000020221 -0.366444463763482  0.000000000004673
   13  -0.847414289940905 -0.000000000002352 -0.293256505580653 -0.000000000053647  0.388582488563972
   14   0.000000000050687  0.797845529047822  0.000000000000851 -0.487331620129517 -0.000000000000209
   15   2.039327338879366 -0.000000000001581 -0.831118342950111  0.000000000031353 -0.401307133314058
   16   0.000000000000312  2.080579750673997  0.000000000005002  0.739509800535865  0.000000000022993
   17  -0.830983922569913  0.000000000004726  2.052920179277280  0.000000000013423 -0.845214409432914
   18   0.000000000031211  0.742367871230166  0.000000000015298  2.253812217620242  0.000000000009864
   19  -0.394167905600772  0.000000000022424 -0.860699567301518  0.000000000009720  1.922717966864782
   20  -0.000000000025122 -0.172294087925336  0.000000000009283  0.976038563177011  0.000000000015447
   21  -0.186962511545267 -0.000000000010361  0.235962223123795  0.000000000025046  0.739126675329378

               20                 21        

    0   0.006793481279845 -0.000000000001363
    1  -0.000000000002278  0.023179900833959
    2  -0.049362039398637  0.000000000005997
    3   0.000000000007514 -0.071018332192975
    4   0.146947148142927  0.000000000003594
    5   0.000000000006021 -0.139773405791710
    6  -0.171152200892211 -0.000000000010108
    7  -0.000000000005618  0.193885904165653
    8   0.211555856874284  0.000000000013640
    9  -0.000000000011811  0.109013502937681
   10  -0.351564594713664 -0.000000000025661
   11   0.000000000029288 -0.255567792678167
   12   0.095643585019717  0.000000000005329
   13   0.000000000039307 -0.165380468019657
   14  -0.222198329371552 -0.000000000015365
   15  -0.000000000027102 -0.181225308461197
   16  -0.167431844190613 -0.000000000010792
   17   0.000000000009323  0.234062558953118
   18   0.975877008169104  0.000000000025204
   19   0.000000000014806  0.750575944117511
   20   2.430595780099311 -0.000000000002141
   21  -0.000000000001338  2.517194090329862
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001735233811
Norm of residual vector 0  after precondition    0.0001735233811
                     1   0.2535294142   5.75e-07    1.74e-04      N
Norm of residual vector af preconditioning    0.0000872750602
Norm of final new C in schmidt_add():    1.000000000000004
Norm of residual vector 1  before precondition    0.0003526090533
Norm of residual vector 1  after precondition    0.0003526090533
                     2   0.2568506699   1.25e-09    3.53e-04      N
Norm of residual vector af preconditioning    0.0001367253337
Norm of final new C in schmidt_add():    0.999999999999999
Iter=12   L=24  resetting norm
SigmaSS, D(norm sigma)=   0.8171900142
FSD    , D(norm sigma)=   0.0000055839
WamefSD, D(norm sigma)=   0.0368190483
WmnieSD, D(norm sigma)=   0.0413928135
WmaijDS, D(norm sigma)=   0.0508331594
WabejDS, D(norm sigma)=   0.0114894650
WnmjeDS, D(norm sigma)=   0.0009729086
WbmfeDS, D(norm sigma)=  -0.0023376278
FDD_Fbe, D(norm sigma)=   1.3711439975
FDD_Fmj, D(norm sigma)=   0.9616267618
WmnijDD, D(norm sigma)=   0.4084879321
WabefDD, D(norm sigma)=   0.3886231406
WmbejDD, D(norm sigma)=  -1.1645348713
WmnefDD XAF, D(norm sigma)=   0.0022375843
WmnefDD XLI, D(norm sigma)=   0.0004392169
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.6523686852
FSD    , D(norm sigma)=   0.0000800289
WamefSD, D(norm sigma)=   0.0329681383
WmnieSD, D(norm sigma)=   0.0490602430
WmaijDS, D(norm sigma)=   0.0323430160
WabejDS, D(norm sigma)=   0.0110268049
WnmjeDS, D(norm sigma)=   0.0003764942
WbmfeDS, D(norm sigma)=  -0.0003154208
FDD_Fbe, D(norm sigma)=   1.3446858758
FDD_Fmj, D(norm sigma)=   1.1474205400
WmnijDD, D(norm sigma)=   0.5205972862
WabefDD, D(norm sigma)=   0.4004236992
WmbejDD, D(norm sigma)=  -1.2856428269
WmnefDD XAF, D(norm sigma)=   0.0023739538
WmnefDD XLI, D(norm sigma)=   0.0003667853
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.388248915927470 -0.000000000000002 -0.601603862024196 -0.000000000000913  0.068419251589873
    1   0.000000000000000  0.392782881923480 -0.000000000000118 -0.552706378906678  0.000000000000672
    2  -0.538426692992363 -0.000000000000088  2.761088891351280  0.000000000003440 -0.640516486078434
    3  -0.000000000000827 -0.479707714812186  0.000000000003441  2.310036464269603 -0.000000000006043
    4   0.053148913240889  0.000000000000458 -0.671058721653677 -0.000000000006155  2.078916636081146
    5  -0.000000000000002  0.014982994260796  0.000000000002034 -0.354517262358769  0.000000000004234
    6   0.086708539512031  0.000000000000636 -0.347179076017171 -0.000000000001977 -0.726178677752989
    7  -0.000000000000492  0.055731162566046  0.000000000004090 -0.180037026250813 -0.000000000010967
    8  -0.029140089531029 -0.000000000000831  0.244654552560192  0.000000000001133 -0.425686887690208
    9   0.000000000000204 -0.024294375450384 -0.000000000003203  0.268441800995994  0.000000000004409
   10  -0.014851508117013  0.000000000000310  0.015090330085531 -0.000000000001732  0.286336510359041
   11   0.000000000000026 -0.072270869474352  0.000000000001166  0.276189100731058 -0.000000000006600
   12   0.019784308868751  0.000000000000614 -0.062724858645188 -0.000000000001463 -0.202162257854705
   13  -0.000000000002137 -0.060138183675466  0.000000000009209  0.290866307077301 -0.000000000000026
   14  -0.015947315896609  0.000000000002494  0.051689985110285 -0.000000000009578  0.085630841376329
   15   0.000000000001455 -0.016996040601174 -0.000000000009612  0.040392096668338  0.000000000015578
   16  -0.046719821543369  0.000000000002106  0.187929876543052 -0.000000000009104  0.126314117867520
   17  -0.000000000000054  0.045749444816983  0.000000000001442 -0.182954035591669 -0.000000000006231
   18  -0.012925309907610  0.000000000000227  0.102019877749132 -0.000000000001861 -0.207179618003462
   19  -0.000000000001913 -0.004831163209098  0.000000000012089  0.024156287706065 -0.000000000018094
   20   0.005218823312463 -0.000000000002416 -0.051187367077408  0.000000000008023  0.140650226553395
   21  -0.000000000001567  0.026701103397718  0.000000000005951 -0.075674301938127  0.000000000003400
   22  -0.042396963376582 -0.000000000000326  0.192016824352067  0.000000000001078  0.000858463696801
   23  -0.000000000000579 -0.005681262516940  0.000000000000456  0.028952825721470  0.000000000012087

                5                  6                  7                  8                  9        

    0  -0.000000000000083  0.090086736239098 -0.000000000000243 -0.034424900020327  0.000000000000257
    1   0.023397609883747  0.000000000000866  0.052375509540089 -0.000000000000812 -0.034481639107101
    2   0.000000000001502 -0.361729425181979  0.000000000004043  0.236949117372269 -0.000000000003345
    3  -0.318370715381630 -0.000000000002241 -0.180890557976170  0.000000000000800  0.261666691673404
    4   0.000000000004401 -0.743075435585177 -0.000000000010549 -0.413249670317739  0.000000000004927
    5   1.198474819410620 -0.000000000001891 -0.790765770439164  0.000000000016643 -0.478894539751461
    6  -0.000000000002553  2.538555756943356  0.000000000006986 -0.502609356503962 -0.000000000013567
    7  -0.724065947425335  0.000000000006653  2.498262477408993 -0.000000000023827 -0.366443997936736
    8   0.000000000015443 -0.519664694835223 -0.000000000022723  1.555333425171615  0.000000000008168
    9  -0.483730155639365 -0.000000000013231 -0.404838324695760  0.000000000009154  1.768792958138610
   10  -0.000000000000297 -0.241773565829938 -0.000000000002886 -0.870536278621529  0.000000000003340
   11   0.145751049511902  0.000000000014027 -0.267380710276597 -0.000000000012553 -0.717477893259901
   12  -0.000000000001610  0.718150123344472 -0.000000000003260 -0.578270034630440 -0.000000000005926
   13  -0.111877881106936 -0.000000000009250 -0.186312572386738  0.000000000007325  0.204829753465966
   14  -0.000000000003014  0.014615371676119  0.000000000007584 -0.350324077440610  0.000000000001132
   15   0.109562140295669 -0.000000000006530 -0.098012949964320 -0.000000000004688 -0.193710678608617
   16   0.000000000000441 -0.316356535921298  0.000000000011197  0.082096533146208 -0.000000000007533
   17  -0.039458678576861  0.000000000006100  0.172397639597099  0.000000000003735 -0.009060359671056
   18   0.000000000002604  0.091870480879719  0.000000000010290  0.152725917244873 -0.000000000014963
   19   0.023203814335093  0.000000000011350 -0.221540531971532  0.000000000009365  0.261061751687486
   20   0.000000000006001 -0.170199036545988 -0.000000000005742  0.190665468772191 -0.000000000011266
   21  -0.130746668317938 -0.000000000009741  0.187393457601329  0.000000000012165  0.104888370485939
   22   0.000000000001297 -0.181128436262708  0.000000000006817  0.135466333440367 -0.000000000015840
   23  -0.024424108871031 -0.000000000020480 -0.031676328179817  0.000000000009174  0.100104513710344

               10                 11                 12                 13                 14        

    0  -0.014867747767475  0.000000000000008  0.017490743359572 -0.000000000002070 -0.015059584859016
    1   0.000000000000726 -0.075498570136258  0.000000000000472 -0.064755938722848  0.000000000002581
    2   0.022575853385211  0.000000000001380 -0.056124896757594  0.000000000009293  0.051164654975780
    3  -0.000000000001802  0.280472748791107 -0.000000000001682  0.291124732676164 -0.000000000009850
    4   0.269628243176748 -0.000000000007363 -0.221378669762642  0.000000000000175  0.081757966575722
    5   0.000000000000160  0.131671383616202 -0.000000000001116 -0.121533307752282 -0.000000000002247
    6  -0.246437125133932  0.000000000014299  0.737797713335195 -0.000000000009567  0.013941124854497
    7  -0.000000000003851 -0.280981034610525 -0.000000000002494 -0.182727082276089  0.000000000007978
    8  -0.905718556039360 -0.000000000011588 -0.559518491633337  0.000000000009294 -0.320673231207513
    9   0.000000000003568 -0.726912848249271 -0.000000000005620  0.197197940248158  0.000000000002162
   10   2.101344836032549  0.000000000005870 -0.658222493731094 -0.000000000005974  0.332559816035806
   11   0.000000000004880  2.160261796573865  0.000000000013410  0.863242553771871 -0.000000000011660
   12  -0.679094433162988  0.000000000012787  2.471845853620399 -0.000000000000071  0.898940652600818
   13  -0.000000000006263  0.869881356520232 -0.000000000000747  1.822378460940286  0.000000000007498
   14   0.320428366643349 -0.000000000011783  0.903134424567168  0.000000000008958  2.215933845949391
   15  -0.000000000009231  0.143536583649072  0.000000000044616 -0.836082173334637  0.000000000050073
   16   0.238742347566451 -0.000000000009611 -0.435433898127213 -0.000000000002236  0.791827408971747
   17  -0.000000000018686 -0.317966519607080  0.000000000018671 -0.304475379785274 -0.000000000000420
   18  -0.081656763348867 -0.000000000010366 -0.367488615789657 -0.000000000051746 -0.489748438665404
   19  -0.000000000010024 -0.135125250483609  0.000000000004599  0.389729501782498 -0.000000000001378
   20  -0.351805538319582  0.000000000028136  0.076645467902265  0.000000000038401 -0.232977653949706
   21  -0.000000000025120 -0.261055892396526  0.000000000004970 -0.157452504188967 -0.000000000016842
   22  -0.055960124681124  0.000000000024599 -0.083766493802883  0.000000000033881  0.163735625050411
   23  -0.000000000004613  0.055946634529941  0.000000000000739  0.219133448844333  0.000000000028566

               15                 16                 17                 18                 19        

    0   0.000000000001559 -0.045600665787520 -0.000000000000199 -0.018976636982799 -0.000000000002396
    1  -0.018100504093784  0.000000000002151  0.046693627318955  0.000000000000336 -0.006698971139288
    2  -0.000000000009871  0.183355003061556  0.000000000001877  0.110255503044390  0.000000000012830
    3   0.042923084258280 -0.000000000009114 -0.179401998960031 -0.000000000001835  0.023897306472147
    4   0.000000000016301  0.129982851020442 -0.000000000006158 -0.220864431481962 -0.000000000019466
    5   0.103899628744585  0.000000000000540 -0.035019086741058  0.000000000002558  0.030794263891115
    6  -0.000000000006802 -0.324200302232220  0.000000000006464  0.098314095001054  0.000000000011748
    7  -0.092862817428445  0.000000000011789  0.170879376952160  0.000000000010642 -0.227059872521828
    8  -0.000000000004115  0.102922608015300  0.000000000004760  0.150583959359432  0.000000000009510
    9  -0.194254578852712 -0.000000000007098 -0.007705819201844 -0.000000000014619  0.269190320784140
   10  -0.000000000010650  0.247900623296711 -0.000000000018574 -0.064814249892274 -0.000000000009470
   11   0.153499155523873 -0.000000000008548 -0.328465674569617 -0.000000000009670 -0.131974355587160
   12   0.000000000045329 -0.435054529789549  0.000000000020221 -0.366444463763482  0.000000000004673
   13  -0.847414289940905 -0.000000000002352 -0.293256505580653 -0.000000000053647  0.388582488563972
   14   0.000000000050687  0.797845529047822  0.000000000000851 -0.487331620129517 -0.000000000000209
   15   2.039327338879366 -0.000000000001581 -0.831118342950111  0.000000000031353 -0.401307133314058
   16   0.000000000000312  2.080579750673997  0.000000000005002  0.739509800535865  0.000000000022993
   17  -0.830983922569913  0.000000000004726  2.052920179277280  0.000000000013423 -0.845214409432914
   18   0.000000000031211  0.742367871230166  0.000000000015298  2.253812217620242  0.000000000009864
   19  -0.394167905600772  0.000000000022424 -0.860699567301518  0.000000000009720  1.922717966864782
   20  -0.000000000025122 -0.172294087925336  0.000000000009283  0.976038563177011  0.000000000015447
   21  -0.186962511545267 -0.000000000010361  0.235962223123795  0.000000000025046  0.739126675329378
   22  -0.000000000030961  0.643167332537786  0.000000000004471  0.572235109543663  0.000000000032080
   23  -0.189329722965561  0.000000000032228 -0.193356426732261 -0.000000000016736  0.325924779887738

               20                 21                 22                 23        

    0   0.006793481279845 -0.000000000001363 -0.046652964646376 -0.000000000000618
    1  -0.000000000002278  0.023179900833959  0.000000000000148 -0.014208070200275
    2  -0.049362039398637  0.000000000005997  0.188502021285911 -0.000000000000144
    3   0.000000000007514 -0.071018332192975  0.000000000000643  0.033185323367826
    4   0.146947148142927  0.000000000003594 -0.001505438157984  0.000000000012618
    5   0.000000000006021 -0.139773405791710  0.000000000001455 -0.033688287923132
    6  -0.171152200892211 -0.000000000010108 -0.180828133997310 -0.000000000020559
    7  -0.000000000005618  0.193885904165653  0.000000000007409 -0.028890616921174
    8   0.211555856874284  0.000000000013640  0.145449168388370  0.000000000009453
    9  -0.000000000011811  0.109013502937681 -0.000000000016173  0.090051959384289
   10  -0.351564594713664 -0.000000000025661 -0.062665385818754 -0.000000000004785
   11   0.000000000029288 -0.255567792678167  0.000000000026209  0.051631899542175
   12   0.095643585019717  0.000000000005329 -0.080379403922943  0.000000000001782
   13   0.000000000039307 -0.165380468019657  0.000000000035434  0.220321077517393
   14  -0.222198329371552 -0.000000000015365  0.187515115596226  0.000000000028232
   15  -0.000000000027102 -0.181225308461197 -0.000000000032559 -0.186475860360883
   16  -0.167431844190613 -0.000000000010792  0.655354525612386  0.000000000034449
   17   0.000000000009323  0.234062558953118  0.000000000005097 -0.197141146455915
   18   0.975877008169104  0.000000000025204  0.586632494102016 -0.000000000016620
   19   0.000000000014806  0.750575944117511  0.000000000033042  0.325948192507554
   20   2.430595780099311 -0.000000000002141 -0.771346323217712 -0.000000000005320
   21  -0.000000000001338  2.517194090329862 -0.000000000029440 -0.677049765310079
   22  -0.777409229327964 -0.000000000030816  2.168984886624892 -0.000000000019903
   23  -0.000000000006932 -0.677766700655728 -0.000000000020939  2.402056878827642
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001203075266
Norm of residual vector 0  after precondition    0.0001203075266
                     1   0.2535294510   3.68e-08    1.20e-04      N
Norm of residual vector af preconditioning    0.0000583991748
Norm of final new C in schmidt_add():    0.999999999999997
Norm of residual vector 1  before precondition    0.0001263170972
Norm of residual vector 1  after precondition    0.0001263170972
                     2   0.2568492437  -1.43e-06    1.26e-04      N
Norm of residual vector af preconditioning    0.0000545373926
Norm of final new C in schmidt_add():    1.000000000000001
alpha

           1           2           3           4           5           6           7           8           9          10

    1  -0.9708817  -0.0000000  -0.0000000   0.0315565   0.0454116   0.0000000   0.0000000   0.0447683   0.1208107  -0.0000000
    2  -0.0000000   0.9608735   0.0395338   0.0000000   0.0000000  -0.1134912  -0.0784498  -0.0000000   0.0000000   0.1052986
    3  -0.2274311  -0.0000000  -0.0000000   0.0056955  -0.0341536  -0.0000000   0.0000000  -0.0712564  -0.2898163   0.0000000
    4  -0.0000000   0.2428064   0.0028100  -0.0000000  -0.0000000   0.0244697   0.0478416   0.0000000  -0.0000000  -0.2620717
    5  -0.0681295  -0.0000000   0.0000000  -0.1231713  -0.2587813  -0.0000000   0.0000000  -0.1730505  -0.5718200   0.0000000
    6   0.0000000   0.1227845  -0.1662307  -0.0000000  -0.0000000   0.5645841   0.5070240   0.0000000  -0.0000000  -0.3301969
    7  -0.0230105  -0.0000000   0.0000000  -0.1407910  -0.0514776   0.0000000   0.0000000  -0.3419068  -0.4476322   0.0000000
    8  -0.0000000   0.0405704  -0.0587396  -0.0000000  -0.0000000   0.3502122   0.1488369   0.0000000  -0.0000000  -0.1099616
    9  -0.0188321  -0.0000000   0.0000000  -0.5287422  -0.4427666  -0.0000000   0.0000000  -0.2553450   0.0444278  -0.0000000
   10   0.0000000   0.0286202  -0.2441836  -0.0000000  -0.0000000   0.4617178   0.0332296  -0.0000000   0.0000000   0.4116081
   11  -0.0096772  -0.0000000   0.0000000  -0.4696619  -0.1568931   0.0000000   0.0000000  -0.1097846   0.3501367  -0.0000000
   12   0.0000000   0.0114581  -0.2520783  -0.0000000  -0.0000000   0.2890841  -0.3498980  -0.0000000   0.0000000   0.3948205
   13  -0.0057314  -0.0000000   0.0000000  -0.4268388  -0.1028208   0.0000000   0.0000000   0.3390883   0.1829842  -0.0000000
   14  -0.0000000  -0.0074119   0.4486869   0.0000000   0.0000000  -0.0996083   0.5066633   0.0000000  -0.0000000   0.0851325
   15   0.0028988   0.0000000  -0.0000000   0.3630071  -0.2656717  -0.0000000   0.0000000  -0.3788831   0.1147545  -0.0000000
   16  -0.0000000  -0.0048820   0.5188877   0.0000000   0.0000000   0.1679106   0.1323512  -0.0000000   0.0000000   0.3531163
   17  -0.0015242  -0.0000000   0.0000000  -0.2811753   0.3283106   0.0000000  -0.0000000   0.3768114  -0.3512563   0.0000000
   18  -0.0000000  -0.0033340   0.4744087   0.0000000  -0.0000000   0.2914571  -0.1735907  -0.0000000   0.0000000   0.1670474
   19   0.0008201   0.0000000  -0.0000000   0.2224631  -0.5284757  -0.0000000   0.0000000   0.2128771   0.1046798   0.0000000
   20  -0.0000000  -0.0020925   0.3597359   0.0000000  -0.0000000   0.3175251  -0.4409832   0.0000000  -0.0000000  -0.2841768
   21  -0.0003676  -0.0000000   0.0000000  -0.1297253   0.3983245   0.0000000  -0.0000000  -0.3760115   0.1081328  -0.0000000
   22  -0.0000000   0.0006812  -0.1324473  -0.0000000   0.0000000  -0.1418379   0.2687597  -0.0000000   0.0000000   0.3713878
   23  -0.0001676  -0.0000000   0.0000000  -0.0669651   0.2821444   0.0000000  -0.0000000  -0.4261414   0.2383394  -0.0000000
   24  -0.0000000   0.0001893  -0.0399634  -0.0000000   0.0000000  -0.0660376   0.1331994  -0.0000000   0.0000000   0.3086678

          11          12          13          14          15          16          17          18          19          20

    1   0.0000000   0.0875185   0.0745756  -0.0000000   0.0000000   0.1008562   0.0000000  -0.0000000   0.0916661  -0.0000000
    2   0.1252351  -0.0000000  -0.0000000  -0.1879589   0.0618488   0.0000000  -0.0195035   0.0007987  -0.0000000   0.0281751
    3  -0.0000000  -0.2537242  -0.3177363   0.0000000  -0.0000000  -0.3849359  -0.0000000   0.0000000  -0.4072074   0.0000000
    4  -0.3747334   0.0000000   0.0000000   0.7319968  -0.2634321  -0.0000000   0.0560384  -0.0225368  -0.0000000  -0.1394010
    5  -0.0000000  -0.4058043   0.2095711  -0.0000000   0.0000000  -0.1963373  -0.0000000  -0.0000000   0.1799485  -0.0000000
    6  -0.1964363   0.0000000  -0.0000000  -0.1840822   0.3955115  -0.0000000   0.0814699   0.1636144   0.0000000   0.1492624
    7   0.0000000   0.1156632  -0.3181825   0.0000000  -0.0000000   0.4501347   0.0000000  -0.0000000   0.1872808   0.0000000
    8   0.0785797  -0.0000000   0.0000000  -0.1903181  -0.7391548  -0.0000000   0.0438123  -0.2885307  -0.0000000   0.0395039
    9   0.0000000   0.3627015   0.4160038  -0.0000000   0.0000000  -0.0031014  -0.0000000   0.0000000  -0.1798591   0.0000000
   10   0.3990792  -0.0000000   0.0000000   0.3246608   0.0987382   0.0000000  -0.4038873  -0.0006115  -0.0000000  -0.3427928
   11   0.0000000  -0.0057448  -0.6208372   0.0000000  -0.0000000   0.0200807   0.0000000   0.0000000   0.0139988  -0.0000000
   12  -0.0490770   0.0000000   0.0000000  -0.0663906  -0.0786462  -0.0000000   0.5661351  -0.0540936  -0.0000000   0.1617085
   13  -0.0000000  -0.3304178   0.1914903  -0.0000000   0.0000000  -0.2949887  -0.0000000  -0.0000000   0.2202203   0.0000000
   14   0.3536209  -0.0000000   0.0000000  -0.0450319  -0.0107727  -0.0000000   0.2633822  -0.2803478  -0.0000000  -0.3012762
   15   0.0000000   0.3547238   0.0744942   0.0000000   0.0000000  -0.4010872  -0.0000000  -0.0000000   0.2780273   0.0000000
   16  -0.0258790   0.0000000   0.0000000   0.1096439  -0.2286360   0.0000000  -0.1304290   0.5347361   0.0000000   0.4395615
   17   0.0000000   0.3789289   0.0268702   0.0000000   0.0000000  -0.0404964  -0.0000000  -0.0000000   0.3846892   0.0000000
   18  -0.2849408   0.0000000   0.0000000   0.1622191   0.3609096  -0.0000000   0.1599003  -0.4759486  -0.0000000   0.0235779
   19  -0.0000000  -0.1923060  -0.1825330   0.0000000  -0.0000000   0.1309748   0.0000000  -0.0000000   0.5217717   0.0000000
   20  -0.0800698  -0.0000000  -0.0000000  -0.3115066  -0.1035383   0.0000000  -0.1150314   0.2775601   0.0000000  -0.5234116
   21   0.0000000   0.0085817  -0.1546565   0.0000000   0.0000000  -0.4618971  -0.0000000  -0.0000000   0.4052291   0.0000000
   22  -0.3702169   0.0000000   0.0000000  -0.0639444  -0.0251481  -0.0000000   0.3211871   0.3442580   0.0000000  -0.5035034
   23  -0.0000000  -0.4501964   0.2994112  -0.0000000   0.0000000   0.3464641   0.0000000  -0.0000000   0.1246607   0.0000000
   24  -0.5357945   0.0000000  -0.0000000  -0.3277845  -0.1185991   0.0000000  -0.5253049  -0.3161131  -0.0000000  -0.0162541

          21          22          23          24

    1   0.1129119  -0.0000000   0.0137316  -0.0549920
    2   0.0000000   0.0736499   0.0000000  -0.0000000
    3  -0.5331461   0.0000000  -0.0254444   0.2248495
    4  -0.0000000  -0.2674027  -0.0000000   0.0000000
    5   0.4976494   0.0000000  -0.1983673   0.0819467
    6   0.0000000  -0.1013370  -0.0000000   0.0000000
    7  -0.2493298  -0.0000000   0.1631303  -0.4562444
    8  -0.0000000   0.3677327   0.0000000  -0.0000000
    9  -0.1472950  -0.0000000   0.2353601   0.2512171
   10  -0.0000000   0.0149249   0.0000000   0.0000000
   11   0.2450241   0.0000000  -0.3907319   0.0915118
   12  -0.0000000  -0.4450507  -0.0000000  -0.0000000
   13  -0.2641226   0.0000000   0.0040092  -0.5534814
   14  -0.0000000  -0.4004658  -0.0000000   0.0000000
   15  -0.1940794   0.0000000  -0.4525627  -0.2173684
   16   0.0000000  -0.0218673  -0.0000000  -0.0000000
   17  -0.2190321   0.0000000  -0.3302244   0.3140577
   18   0.0000000   0.3863468   0.0000000   0.0000000
   19  -0.1945404  -0.0000000   0.2510385   0.3770877
   20  -0.0000000  -0.1813656  -0.0000000   0.0000000
   21   0.1256628  -0.0000000   0.5103184   0.1263811
   22  -0.0000000   0.3502303   0.0000000   0.0000000
   23  -0.3200212   0.0000000  -0.2963355   0.2228669
   24  -0.0000000  -0.3370646  -0.0000000   0.0000000
alpha_old

           1           2           3           4           5           6           7           8           9          10

    1   0.9708793  -0.0000000  -0.0000000  -0.0359514  -0.0000000  -0.0475799  -0.0000000  -0.0918815  -0.0000000   0.1036291
    2   0.0000000   0.9608769   0.0376390  -0.0000000   0.1193660  -0.0000000   0.0714965  -0.0000000  -0.1330200  -0.0000000
    3   0.2274389  -0.0000000  -0.0000000  -0.0019368   0.0000000   0.0400385   0.0000000   0.2076571   0.0000000  -0.2564627
    4   0.0000000   0.2428063   0.0019511   0.0000000  -0.0264521   0.0000000  -0.0510445   0.0000000   0.3450319   0.0000000
    5   0.0681569  -0.0000000   0.0000000   0.1483940   0.0000000   0.2682227  -0.0000000   0.3676816   0.0000000  -0.5713518
    6  -0.0000000   0.1227654  -0.1721328   0.0000000  -0.5914986  -0.0000000  -0.4864768  -0.0000000   0.3526884   0.0000000
    7   0.0229856  -0.0000000   0.0000000   0.1384425  -0.0000000   0.1136917  -0.0000000   0.5439472   0.0000000  -0.1225396
    8   0.0000000   0.0405823  -0.0667280   0.0000000  -0.3557178   0.0000000  -0.1350715  -0.0000000   0.0907672   0.0000000
    9   0.0188403  -0.0000000   0.0000000   0.5685230   0.0000000   0.4300426  -0.0000000   0.1400060  -0.0000000   0.2291160
   10  -0.0000000   0.0286143  -0.2562064   0.0000000  -0.4567356   0.0000000  -0.0010839   0.0000000  -0.5094042  -0.0000000
   11   0.0096374  -0.0000000   0.0000000   0.4779829  -0.0000000   0.1486115  -0.0000000  -0.1287550  -0.0000000   0.3402402
   12  -0.0000000   0.0114564  -0.2651213   0.0000000  -0.2622394   0.0000000   0.3881047  -0.0000000  -0.3502906  -0.0000000
   13   0.0057191  -0.0000000   0.0000000   0.4417100  -0.0000000  -0.0330663  -0.0000000  -0.4270199   0.0000000  -0.1886512
   14   0.0000000  -0.0073807   0.4609738  -0.0000000   0.0528372  -0.0000000  -0.5153187   0.0000000  -0.2244551  -0.0000000
   15  -0.0028303   0.0000000  -0.0000000  -0.3392432   0.0000000   0.4025014  -0.0000000   0.1969014  -0.0000000   0.3625558
   16   0.0000000  -0.0048224   0.5227141  -0.0000000  -0.2042855  -0.0000000  -0.0759865   0.0000000  -0.3266489  -0.0000000
   17   0.0014783  -0.0000000   0.0000000   0.2590521  -0.0000000  -0.5111533   0.0000000   0.0933208   0.0000000  -0.1817517
   18   0.0000000  -0.0032432   0.4669632  -0.0000000  -0.3032607   0.0000000   0.2362505  -0.0000000  -0.0490691  -0.0000000
   19  -0.0006739   0.0000000  -0.0000000  -0.1540081   0.0000000   0.4627745  -0.0000000  -0.3848767   0.0000000  -0.2456511
   20   0.0000000  -0.0019507   0.3354879  -0.0000000  -0.2888773   0.0000000   0.4549355  -0.0000000   0.3433192   0.0000000
   21   0.0002361  -0.0000000   0.0000000   0.0693573  -0.0000000  -0.2563261   0.0000000   0.3212995  -0.0000000   0.3916087
   22   0.0000000   0.0005737  -0.1106006   0.0000000   0.1064327  -0.0000000  -0.2294437   0.0000000  -0.2666071  -0.0000000

          11          12          13          14          15          16          17          18          19          20

    1  -0.0000000  -0.1145094  -0.0000000   0.0215151   0.0000000  -0.0000000   0.0357964  -0.1702303  -0.0000000   0.0000000
    2   0.1357214  -0.0000000   0.1608006   0.0000000  -0.0323342   0.0265851   0.0000000   0.0000000  -0.0307138  -0.0827222
    3   0.0000000   0.4161335   0.0000000  -0.0517015  -0.0000000   0.0000000  -0.1700298   0.7555754   0.0000000  -0.0000000
    4  -0.4636589   0.0000000  -0.6483833  -0.0000000   0.1379718  -0.1136629  -0.0000000  -0.0000000   0.1484164   0.2985643
    5  -0.0000000   0.1622921   0.0000000  -0.3210524  -0.0000000  -0.0000000   0.1224525  -0.3916442   0.0000000   0.0000000
    6  -0.1170001   0.0000000   0.3292890   0.0000000  -0.3018971   0.1143366   0.0000000   0.0000000  -0.1436517   0.1358192
    7   0.0000000  -0.0775133  -0.0000000   0.5575700   0.0000000  -0.0000000   0.1134196  -0.0462810  -0.0000000  -0.0000000
    8   0.2231505  -0.0000000  -0.0628404  -0.0000000   0.7314284  -0.2015845  -0.0000000   0.0000000  -0.0540581  -0.4287806
    9  -0.0000000  -0.4350903  -0.0000000  -0.2630280  -0.0000000   0.0000000  -0.1851362   0.1021674  -0.0000000   0.0000000
   10   0.2508036   0.0000000  -0.4523603   0.0000000  -0.2914823   0.1077756   0.0000000  -0.0000000   0.3394574  -0.0517347
   11   0.0000000   0.4095522   0.0000000   0.4324089   0.0000000  -0.0000000   0.0752707   0.0261114   0.0000000   0.0000000
   12  -0.2532597  -0.0000000   0.2873804  -0.0000000   0.2636060  -0.2858277  -0.0000000   0.0000000  -0.1456038   0.5110607
   13   0.0000000   0.1469505  -0.0000000  -0.3436317  -0.0000000  -0.0000000   0.2509046   0.0754486  -0.0000000  -0.0000000
   14   0.2232698  -0.0000000   0.0844281  -0.0000000   0.0687517  -0.3960733  -0.0000000  -0.0000000   0.3099818   0.3935322
   15   0.0000000  -0.1456510  -0.0000000  -0.2491395  -0.0000000  -0.0000000   0.4176615   0.2993731   0.0000000  -0.0000000
   16  -0.1587188   0.0000000  -0.1428887  -0.0000000   0.1915546   0.5409344   0.0000000   0.0000000  -0.4324827   0.0913505
   17  -0.0000000  -0.4496779  -0.0000000   0.0912079  -0.0000000  -0.0000000   0.4749758   0.2649462  -0.0000000  -0.0000000
   18  -0.3412990   0.0000000   0.0327736   0.0000000  -0.3273938  -0.4822041  -0.0000000  -0.0000000  -0.0368704  -0.4209272
   19  -0.0000000  -0.0011130  -0.0000000   0.2755187   0.0000000  -0.0000000   0.5026601  -0.0519440  -0.0000000  -0.0000000
   20   0.1866110  -0.0000000   0.1881230  -0.0000000   0.1245778   0.3129124   0.0000000  -0.0000000   0.5281894   0.1708160
   21   0.0000000   0.4234582  -0.0000000  -0.2497224  -0.0000000  -0.0000000   0.4316774  -0.2554780  -0.0000000   0.0000000
   22  -0.5913732   0.0000000   0.3002252  -0.0000000   0.1876500   0.2437881   0.0000000  -0.0000000   0.5035533  -0.2613176

          21          22

    1  -0.0134025  -0.0450215
    2  -0.0000000  -0.0000000
    3   0.1106408   0.1844814
    4   0.0000000   0.0000000
    5  -0.3916851   0.0819203
    6  -0.0000000  -0.0000000
    7   0.3515651  -0.4437575
    8  -0.0000000  -0.0000000
    9   0.2346840   0.2776750
   10   0.0000000   0.0000000
   11  -0.4952991   0.0430638
   12   0.0000000  -0.0000000
   13   0.2165057  -0.5684107
   14   0.0000000   0.0000000
   15  -0.3009225  -0.3219794
   16  -0.0000000  -0.0000000
   17  -0.2429318   0.2046142
   18   0.0000000   0.0000000
   19   0.2845048   0.3806623
   20   0.0000000   0.0000000
   21   0.3643872   0.2604190
   22   0.0000000   0.0000000
alpha_tot

           1           2           3           4           5           6           7           8           9          10

    1  -0.9708817  -0.0000000   0.9708793  -0.0000000  -0.0000000   0.0315565   0.0454116   0.0000000   0.0000000   0.0447683
    2  -0.0000000   0.9608735   0.0000000   0.9608769   0.0395338   0.0000000   0.0000000  -0.1134912  -0.0784498  -0.0000000
    3  -0.2274311  -0.0000000   0.2274389  -0.0000000  -0.0000000   0.0056955  -0.0341536  -0.0000000   0.0000000  -0.0712564
    4  -0.0000000   0.2428064   0.0000000   0.2428063   0.0028100  -0.0000000  -0.0000000   0.0244697   0.0478416   0.0000000
    5  -0.0681295  -0.0000000   0.0681569  -0.0000000   0.0000000  -0.1231713  -0.2587813  -0.0000000   0.0000000  -0.1730505
    6   0.0000000   0.1227845  -0.0000000   0.1227654  -0.1662307  -0.0000000  -0.0000000   0.5645841   0.5070240   0.0000000
    7  -0.0230105  -0.0000000   0.0229856  -0.0000000   0.0000000  -0.1407910  -0.0514776   0.0000000   0.0000000  -0.3419068
    8  -0.0000000   0.0405704   0.0000000   0.0405823  -0.0587396  -0.0000000  -0.0000000   0.3502122   0.1488369   0.0000000
    9  -0.0188321  -0.0000000   0.0188403  -0.0000000   0.0000000  -0.5287422  -0.4427666  -0.0000000   0.0000000  -0.2553450
   10   0.0000000   0.0286202  -0.0000000   0.0286143  -0.2441836  -0.0000000  -0.0000000   0.4617178   0.0332296  -0.0000000
   11  -0.0096772  -0.0000000   0.0096374  -0.0000000   0.0000000  -0.4696619  -0.1568931   0.0000000   0.0000000  -0.1097846
   12   0.0000000   0.0114581  -0.0000000   0.0114564  -0.2520783  -0.0000000  -0.0000000   0.2890841  -0.3498980  -0.0000000
   13  -0.0057314  -0.0000000   0.0057191  -0.0000000   0.0000000  -0.4268388  -0.1028208   0.0000000   0.0000000   0.3390883
   14  -0.0000000  -0.0074119   0.0000000  -0.0073807   0.4486869   0.0000000   0.0000000  -0.0996083   0.5066633   0.0000000
   15   0.0028988   0.0000000  -0.0028303   0.0000000  -0.0000000   0.3630071  -0.2656717  -0.0000000   0.0000000  -0.3788831
   16  -0.0000000  -0.0048820   0.0000000  -0.0048224   0.5188877   0.0000000   0.0000000   0.1679106   0.1323512  -0.0000000
   17  -0.0015242  -0.0000000   0.0014783  -0.0000000   0.0000000  -0.2811753   0.3283106   0.0000000  -0.0000000   0.3768114
   18  -0.0000000  -0.0033340   0.0000000  -0.0032432   0.4744087   0.0000000  -0.0000000   0.2914571  -0.1735907  -0.0000000
   19   0.0008201   0.0000000  -0.0006739   0.0000000  -0.0000000   0.2224631  -0.5284757  -0.0000000   0.0000000   0.2128771
   20  -0.0000000  -0.0020925   0.0000000  -0.0019507   0.3597359   0.0000000  -0.0000000   0.3175251  -0.4409832   0.0000000
   21  -0.0003676  -0.0000000   0.0002361  -0.0000000   0.0000000  -0.1297253   0.3983245   0.0000000  -0.0000000  -0.3760115
   22  -0.0000000   0.0006812   0.0000000   0.0005737  -0.1324473  -0.0000000   0.0000000  -0.1418379   0.2687597  -0.0000000
   23  -0.0001676  -0.0000000   0.0000000   0.0000000   0.0000000  -0.0669651   0.2821444   0.0000000  -0.0000000  -0.4261414
   24  -0.0000000   0.0001893   0.0000000   0.0000000  -0.0399634  -0.0000000   0.0000000  -0.0660376   0.1331994  -0.0000000

          11          12          13          14          15          16          17          18          19          20

    1   0.1208107  -0.0000000   0.0000000   0.0875185   0.0745756  -0.0000000   0.0000000   0.1008562   0.0000000  -0.0000000
    2   0.0000000   0.1052986   0.1252351  -0.0000000  -0.0000000  -0.1879589   0.0618488   0.0000000  -0.0195035   0.0007987
    3  -0.2898163   0.0000000  -0.0000000  -0.2537242  -0.3177363   0.0000000  -0.0000000  -0.3849359  -0.0000000   0.0000000
    4  -0.0000000  -0.2620717  -0.3747334   0.0000000   0.0000000   0.7319968  -0.2634321  -0.0000000   0.0560384  -0.0225368
    5  -0.5718200   0.0000000  -0.0000000  -0.4058043   0.2095711  -0.0000000   0.0000000  -0.1963373  -0.0000000  -0.0000000
    6  -0.0000000  -0.3301969  -0.1964363   0.0000000  -0.0000000  -0.1840822   0.3955115  -0.0000000   0.0814699   0.1636144
    7  -0.4476322   0.0000000   0.0000000   0.1156632  -0.3181825   0.0000000  -0.0000000   0.4501347   0.0000000  -0.0000000
    8  -0.0000000  -0.1099616   0.0785797  -0.0000000   0.0000000  -0.1903181  -0.7391548  -0.0000000   0.0438123  -0.2885307
    9   0.0444278  -0.0000000   0.0000000   0.3627015   0.4160038  -0.0000000   0.0000000  -0.0031014  -0.0000000   0.0000000
   10   0.0000000   0.4116081   0.3990792  -0.0000000   0.0000000   0.3246608   0.0987382   0.0000000  -0.4038873  -0.0006115
   11   0.3501367  -0.0000000   0.0000000  -0.0057448  -0.6208372   0.0000000  -0.0000000   0.0200807   0.0000000   0.0000000
   12   0.0000000   0.3948205  -0.0490770   0.0000000   0.0000000  -0.0663906  -0.0786462  -0.0000000   0.5661351  -0.0540936
   13   0.1829842  -0.0000000  -0.0000000  -0.3304178   0.1914903  -0.0000000   0.0000000  -0.2949887  -0.0000000  -0.0000000
   14  -0.0000000   0.0851325   0.3536209  -0.0000000   0.0000000  -0.0450319  -0.0107727  -0.0000000   0.2633822  -0.2803478
   15   0.1147545  -0.0000000   0.0000000   0.3547238   0.0744942   0.0000000   0.0000000  -0.4010872  -0.0000000  -0.0000000
   16   0.0000000   0.3531163  -0.0258790   0.0000000   0.0000000   0.1096439  -0.2286360   0.0000000  -0.1304290   0.5347361
   17  -0.3512563   0.0000000   0.0000000   0.3789289   0.0268702   0.0000000   0.0000000  -0.0404964  -0.0000000  -0.0000000
   18   0.0000000   0.1670474  -0.2849408   0.0000000   0.0000000   0.1622191   0.3609096  -0.0000000   0.1599003  -0.4759486
   19   0.1046798   0.0000000  -0.0000000  -0.1923060  -0.1825330   0.0000000  -0.0000000   0.1309748   0.0000000  -0.0000000
   20  -0.0000000  -0.2841768  -0.0800698  -0.0000000  -0.0000000  -0.3115066  -0.1035383   0.0000000  -0.1150314   0.2775601
   21   0.1081328  -0.0000000   0.0000000   0.0085817  -0.1546565   0.0000000   0.0000000  -0.4618971  -0.0000000  -0.0000000
   22   0.0000000   0.3713878  -0.3702169   0.0000000   0.0000000  -0.0639444  -0.0251481  -0.0000000   0.3211871   0.3442580
   23   0.2383394  -0.0000000  -0.0000000  -0.4501964   0.2994112  -0.0000000   0.0000000   0.3464641   0.0000000  -0.0000000
   24   0.0000000   0.3086678  -0.5357945   0.0000000  -0.0000000  -0.3277845  -0.1185991   0.0000000  -0.5253049  -0.3161131

          21          22          23          24          25          26          27          28          29          30

    1   0.0916661  -0.0000000   0.1129119  -0.0000000   0.0137316  -0.0549920  -0.0000000  -0.0359514  -0.0000000  -0.0475799
    2  -0.0000000   0.0281751   0.0000000   0.0736499   0.0000000  -0.0000000   0.0376390  -0.0000000   0.1193660  -0.0000000
    3  -0.4072074   0.0000000  -0.5331461   0.0000000  -0.0254444   0.2248495  -0.0000000  -0.0019368   0.0000000   0.0400385
    4  -0.0000000  -0.1394010  -0.0000000  -0.2674027  -0.0000000   0.0000000   0.0019511   0.0000000  -0.0264521   0.0000000
    5   0.1799485  -0.0000000   0.4976494   0.0000000  -0.1983673   0.0819467   0.0000000   0.1483940   0.0000000   0.2682227
    6   0.0000000   0.1492624   0.0000000  -0.1013370  -0.0000000   0.0000000  -0.1721328   0.0000000  -0.5914986  -0.0000000
    7   0.1872808   0.0000000  -0.2493298  -0.0000000   0.1631303  -0.4562444   0.0000000   0.1384425  -0.0000000   0.1136917
    8  -0.0000000   0.0395039  -0.0000000   0.3677327   0.0000000  -0.0000000  -0.0667280   0.0000000  -0.3557178   0.0000000
    9  -0.1798591   0.0000000  -0.1472950  -0.0000000   0.2353601   0.2512171   0.0000000   0.5685230   0.0000000   0.4300426
   10  -0.0000000  -0.3427928  -0.0000000   0.0149249   0.0000000   0.0000000  -0.2562064   0.0000000  -0.4567356   0.0000000
   11   0.0139988  -0.0000000   0.2450241   0.0000000  -0.3907319   0.0915118   0.0000000   0.4779829  -0.0000000   0.1486115
   12  -0.0000000   0.1617085  -0.0000000  -0.4450507  -0.0000000  -0.0000000  -0.2651213   0.0000000  -0.2622394   0.0000000
   13   0.2202203   0.0000000  -0.2641226   0.0000000   0.0040092  -0.5534814   0.0000000   0.4417100  -0.0000000  -0.0330663
   14  -0.0000000  -0.3012762  -0.0000000  -0.4004658  -0.0000000   0.0000000   0.4609738  -0.0000000   0.0528372  -0.0000000
   15   0.2780273   0.0000000  -0.1940794   0.0000000  -0.4525627  -0.2173684  -0.0000000  -0.3392432   0.0000000   0.4025014
   16   0.0000000   0.4395615   0.0000000  -0.0218673  -0.0000000  -0.0000000   0.5227141  -0.0000000  -0.2042855  -0.0000000
   17   0.3846892   0.0000000  -0.2190321   0.0000000  -0.3302244   0.3140577   0.0000000   0.2590521  -0.0000000  -0.5111533
   18  -0.0000000   0.0235779   0.0000000   0.3863468   0.0000000   0.0000000   0.4669632  -0.0000000  -0.3032607   0.0000000
   19   0.5217717   0.0000000  -0.1945404  -0.0000000   0.2510385   0.3770877  -0.0000000  -0.1540081   0.0000000   0.4627745
   20   0.0000000  -0.5234116  -0.0000000  -0.1813656  -0.0000000   0.0000000   0.3354879  -0.0000000  -0.2888773   0.0000000
   21   0.4052291   0.0000000   0.1256628  -0.0000000   0.5103184   0.1263811   0.0000000   0.0693573  -0.0000000  -0.2563261
   22   0.0000000  -0.5035034  -0.0000000   0.3502303   0.0000000   0.0000000  -0.1106006   0.0000000   0.1064327  -0.0000000
   23   0.1246607   0.0000000  -0.3200212   0.0000000  -0.2963355   0.2228669   0.0000000   0.0000000   0.0000000   0.0000000
   24  -0.0000000  -0.0162541  -0.0000000  -0.3370646  -0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

          31          32          33          34          35          36          37          38          39          40

    1  -0.0000000  -0.0918815  -0.0000000   0.1036291  -0.0000000  -0.1145094  -0.0000000   0.0215151   0.0000000  -0.0000000
    2   0.0714965  -0.0000000  -0.1330200  -0.0000000   0.1357214  -0.0000000   0.1608006   0.0000000  -0.0323342   0.0265851
    3   0.0000000   0.2076571   0.0000000  -0.2564627   0.0000000   0.4161335   0.0000000  -0.0517015  -0.0000000   0.0000000
    4  -0.0510445   0.0000000   0.3450319   0.0000000  -0.4636589   0.0000000  -0.6483833  -0.0000000   0.1379718  -0.1136629
    5  -0.0000000   0.3676816   0.0000000  -0.5713518  -0.0000000   0.1622921   0.0000000  -0.3210524  -0.0000000  -0.0000000
    6  -0.4864768  -0.0000000   0.3526884   0.0000000  -0.1170001   0.0000000   0.3292890   0.0000000  -0.3018971   0.1143366
    7  -0.0000000   0.5439472   0.0000000  -0.1225396   0.0000000  -0.0775133  -0.0000000   0.5575700   0.0000000  -0.0000000
    8  -0.1350715  -0.0000000   0.0907672   0.0000000   0.2231505  -0.0000000  -0.0628404  -0.0000000   0.7314284  -0.2015845
    9  -0.0000000   0.1400060  -0.0000000   0.2291160  -0.0000000  -0.4350903  -0.0000000  -0.2630280  -0.0000000   0.0000000
   10  -0.0010839   0.0000000  -0.5094042  -0.0000000   0.2508036   0.0000000  -0.4523603   0.0000000  -0.2914823   0.1077756
   11  -0.0000000  -0.1287550  -0.0000000   0.3402402   0.0000000   0.4095522   0.0000000   0.4324089   0.0000000  -0.0000000
   12   0.3881047  -0.0000000  -0.3502906  -0.0000000  -0.2532597  -0.0000000   0.2873804  -0.0000000   0.2636060  -0.2858277
   13  -0.0000000  -0.4270199   0.0000000  -0.1886512   0.0000000   0.1469505  -0.0000000  -0.3436317  -0.0000000  -0.0000000
   14  -0.5153187   0.0000000  -0.2244551  -0.0000000   0.2232698  -0.0000000   0.0844281  -0.0000000   0.0687517  -0.3960733
   15  -0.0000000   0.1969014  -0.0000000   0.3625558   0.0000000  -0.1456510  -0.0000000  -0.2491395  -0.0000000  -0.0000000
   16  -0.0759865   0.0000000  -0.3266489  -0.0000000  -0.1587188   0.0000000  -0.1428887  -0.0000000   0.1915546   0.5409344
   17   0.0000000   0.0933208   0.0000000  -0.1817517  -0.0000000  -0.4496779  -0.0000000   0.0912079  -0.0000000  -0.0000000
   18   0.2362505  -0.0000000  -0.0490691  -0.0000000  -0.3412990   0.0000000   0.0327736   0.0000000  -0.3273938  -0.4822041
   19  -0.0000000  -0.3848767   0.0000000  -0.2456511  -0.0000000  -0.0011130  -0.0000000   0.2755187   0.0000000  -0.0000000
   20   0.4549355  -0.0000000   0.3433192   0.0000000   0.1866110  -0.0000000   0.1881230  -0.0000000   0.1245778   0.3129124
   21   0.0000000   0.3212995  -0.0000000   0.3916087   0.0000000   0.4234582  -0.0000000  -0.2497224  -0.0000000  -0.0000000
   22  -0.2294437   0.0000000  -0.2666071  -0.0000000  -0.5913732   0.0000000   0.3002252  -0.0000000   0.1876500   0.2437881
   23   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   24   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000

          41          42          43          44          45          46

    1   0.0357964  -0.1702303  -0.0000000   0.0000000  -0.0134025  -0.0450215
    2   0.0000000   0.0000000  -0.0307138  -0.0827222  -0.0000000  -0.0000000
    3  -0.1700298   0.7555754   0.0000000  -0.0000000   0.1106408   0.1844814
    4  -0.0000000  -0.0000000   0.1484164   0.2985643   0.0000000   0.0000000
    5   0.1224525  -0.3916442   0.0000000   0.0000000  -0.3916851   0.0819203
    6   0.0000000   0.0000000  -0.1436517   0.1358192  -0.0000000  -0.0000000
    7   0.1134196  -0.0462810  -0.0000000  -0.0000000   0.3515651  -0.4437575
    8  -0.0000000   0.0000000  -0.0540581  -0.4287806  -0.0000000  -0.0000000
    9  -0.1851362   0.1021674  -0.0000000   0.0000000   0.2346840   0.2776750
   10   0.0000000  -0.0000000   0.3394574  -0.0517347   0.0000000   0.0000000
   11   0.0752707   0.0261114   0.0000000   0.0000000  -0.4952991   0.0430638
   12  -0.0000000   0.0000000  -0.1456038   0.5110607   0.0000000  -0.0000000
   13   0.2509046   0.0754486  -0.0000000  -0.0000000   0.2165057  -0.5684107
   14  -0.0000000  -0.0000000   0.3099818   0.3935322   0.0000000   0.0000000
   15   0.4176615   0.2993731   0.0000000  -0.0000000  -0.3009225  -0.3219794
   16   0.0000000   0.0000000  -0.4324827   0.0913505  -0.0000000  -0.0000000
   17   0.4749758   0.2649462  -0.0000000  -0.0000000  -0.2429318   0.2046142
   18  -0.0000000  -0.0000000  -0.0368704  -0.4209272   0.0000000   0.0000000
   19   0.5026601  -0.0519440  -0.0000000  -0.0000000   0.2845048   0.3806623
   20   0.0000000  -0.0000000   0.5281894   0.1708160   0.0000000   0.0000000
   21   0.4316774  -0.2554780  -0.0000000   0.0000000   0.3643872   0.2604190
   22   0.0000000  -0.0000000   0.5035533  -0.2613176   0.0000000   0.0000000
   23   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   24   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
Iter=13   L=4   The G Matrix

                0                  1                  2                  3        

    0   0.253529450987213  0.000000000000001  0.000219243816496 -0.000000000000069
    1  -0.000000000000000  0.256849243735860 -0.000000000000192  0.004810573991592
    2   0.000000000000120  0.000000000000000  0.565802022217838 -0.000000000023687
    3   0.000000000000000  0.000000000000168 -0.000000000025007  0.981594363695620
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001203075263
Norm of residual vector 0  after precondition    0.0001203075263
                     1   0.2535294510  -4.44e-16    1.20e-04      N
Norm of residual vector af preconditioning    0.0000583991748
Norm of final new C in schmidt_add():    0.999999999999997
Norm of residual vector 1  before precondition    0.0001263170974
Norm of residual vector 1  after precondition    0.0001263170974
                     2   0.2568492437  -1.50e-15    1.26e-04      N
Norm of residual vector af preconditioning    0.0000545373926
Norm of final new C in schmidt_add():    1.000000000000000
Iter=14   L=6   resetting norm
SigmaSS, D(norm sigma)=   0.7872941565
FSD    , D(norm sigma)=  -0.0000114122
WamefSD, D(norm sigma)=   0.0335950935
WmnieSD, D(norm sigma)=   0.0405785567
WmaijDS, D(norm sigma)=   0.0618919370
WabejDS, D(norm sigma)=   0.0271115964
WnmjeDS, D(norm sigma)=   0.0007646857
WbmfeDS, D(norm sigma)=  -0.0021667895
FDD_Fbe, D(norm sigma)=   0.9130189550
FDD_Fmj, D(norm sigma)=   0.8795895160
WmnijDD, D(norm sigma)=   0.4265126526
WabefDD, D(norm sigma)=   0.3817460008
WmbejDD, D(norm sigma)=  -0.9285749188
WmnefDD XAF, D(norm sigma)=   0.0019600399
WmnefDD XLI, D(norm sigma)=   0.0008361939
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.5604749126
FSD    , D(norm sigma)=   0.0000438116
WamefSD, D(norm sigma)=   0.0125910581
WmnieSD, D(norm sigma)=   0.0663459975
WmaijDS, D(norm sigma)=   0.0542524670
WabejDS, D(norm sigma)=   0.0179348444
WnmjeDS, D(norm sigma)=   0.0001055105
WbmfeDS, D(norm sigma)=   0.0002489714
FDD_Fbe, D(norm sigma)=   0.9347396672
FDD_Fmj, D(norm sigma)=   1.0555991721
WmnijDD, D(norm sigma)=   0.5272996932
WabefDD, D(norm sigma)=   0.4066013528
WmbejDD, D(norm sigma)=  -1.0455971846
WmnefDD XAF, D(norm sigma)=   0.0023494315
WmnefDD XLI, D(norm sigma)=   0.0003571363
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.253529450987213  0.000000000000001  0.000219243816496 -0.000000000000069  0.000239317543482
    1  -0.000000000000000  0.256849243735860 -0.000000000000192  0.004810573991592 -0.000000000000424
    2   0.000000000000120  0.000000000000000  0.565802022217838 -0.000000000023687  0.472381366746247
    3   0.000000000000000  0.000000000000168 -0.000000000025007  0.981594363695620 -0.000000000026850
    4   0.000097565382179  0.000000000000000  0.485133278420175 -0.000000000027613  1.990286306700094
    5  -0.000000000000000 -0.000106463782138 -0.000000000005799  0.536333949483841 -0.000000000028992

                5        

    0  -0.000000000000772
    1   0.002308761199979
    2  -0.000000000003545
    3   0.529940693678409
    4  -0.000000000029730
    5   2.065506495994440
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000684212672
Norm of residual vector 0  after precondition    0.0000684212672
                     1   0.2535294600   8.98e-09    6.84e-05      N
Norm of residual vector af preconditioning    0.0000295609251
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0000487973965
Norm of residual vector 1  after precondition    0.0000487973965
                     2   0.2568491529  -9.09e-08    4.88e-05      N
Norm of residual vector af preconditioning    0.0000220962659
Norm of final new C in schmidt_add():    0.999999999999999
Iter=15   L=8   resetting norm
SigmaSS, D(norm sigma)=   0.7803017945
FSD    , D(norm sigma)=   0.0000319176
WamefSD, D(norm sigma)=   0.0543828067
WmnieSD, D(norm sigma)=   0.0713369423
WmaijDS, D(norm sigma)=   0.0612105465
WabejDS, D(norm sigma)=   0.0324798682
WnmjeDS, D(norm sigma)=   0.0005250143
WbmfeDS, D(norm sigma)=  -0.0001759851
FDD_Fbe, D(norm sigma)=   0.8530524323
FDD_Fmj, D(norm sigma)=   0.8412099868
WmnijDD, D(norm sigma)=   0.4234228329
WabefDD, D(norm sigma)=   0.3756928368
WmbejDD, D(norm sigma)=  -0.8617263516
WmnefDD XAF, D(norm sigma)=   0.0027027760
WmnefDD XLI, D(norm sigma)=   0.0012464479
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.6399607916
FSD    , D(norm sigma)=   0.0000194994
WamefSD, D(norm sigma)=   0.0109278588
WmnieSD, D(norm sigma)=   0.0335838996
WmaijDS, D(norm sigma)=   0.0684957535
WabejDS, D(norm sigma)=   0.0254603540
WnmjeDS, D(norm sigma)=   0.0001576318
WbmfeDS, D(norm sigma)=   0.0003221006
FDD_Fbe, D(norm sigma)=   0.8814309546
FDD_Fmj, D(norm sigma)=   0.9100963999
WmnijDD, D(norm sigma)=   0.4631515479
WabefDD, D(norm sigma)=   0.3624080822
WmbejDD, D(norm sigma)=  -0.9626697728
WmnefDD XAF, D(norm sigma)=   0.0014779803
WmnefDD XLI, D(norm sigma)=   0.0003981986
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.253529450987213  0.000000000000001  0.000219243816496 -0.000000000000069  0.000239317543482
    1  -0.000000000000000  0.256849243735860 -0.000000000000192  0.004810573991592 -0.000000000000424
    2   0.000000000000120  0.000000000000000  0.565802022217838 -0.000000000023687  0.472381366746247
    3   0.000000000000000  0.000000000000168 -0.000000000025007  0.981594363695620 -0.000000000026850
    4   0.000097565382179  0.000000000000000  0.485133278420175 -0.000000000027613  1.990286306700094
    5  -0.000000000000000 -0.000106463782138 -0.000000000005799  0.536333949483841 -0.000000000028992
    6  -0.000020682031343  0.000000000000001 -0.089065883486659 -0.000000000002997 -0.898264490452685
    7  -0.000000000000000  0.000019328446265  0.000000000000262  0.001901350053681  0.000000000008666

                5                  6                  7        

    0  -0.000000000000772 -0.006544638637697  0.000000000001087
    1   0.002308761199979  0.000000000000493 -0.000360546589420
    2  -0.000000000003545 -0.075106908655693 -0.000000000000889
    3   0.529940693678409 -0.000000000003152  0.009502621516300
    4  -0.000000000029730 -0.899885812399125  0.000000000008525
    5   2.065506495994440 -0.000000000023523 -0.770418263038497
    6  -0.000000000023162  1.975828382250318  0.000000000015420
    7  -0.774167277277278  0.000000000015890  1.835871000999962
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000340192178
Norm of residual vector 0  after precondition    0.0000340192178
                     1   0.2535297785   3.19e-07    3.40e-05      N
Norm of residual vector af preconditioning    0.0000149028030
Norm of final new C in schmidt_add():    0.999999999999999
Norm of residual vector 1  before precondition    0.0000198739112
Norm of residual vector 1  after precondition    0.0000198739112
                     2   0.2568491162  -3.67e-08    1.99e-05      N
Norm of residual vector af preconditioning    0.0000091304021
Norm of final new C in schmidt_add():    1.000000000000003
Iter=16   L=10  resetting norm
SigmaSS, D(norm sigma)=   0.7598146437
FSD    , D(norm sigma)=  -0.0000229342
WamefSD, D(norm sigma)=   0.0390953002
WmnieSD, D(norm sigma)=   0.0618417966
WmaijDS, D(norm sigma)=   0.0429239426
WabejDS, D(norm sigma)=   0.0148302132
WnmjeDS, D(norm sigma)=   0.0004195982
WbmfeDS, D(norm sigma)=  -0.0001416011
FDD_Fbe, D(norm sigma)=   1.4015862432
FDD_Fmj, D(norm sigma)=   1.0015426471
WmnijDD, D(norm sigma)=   0.4278080836
WabefDD, D(norm sigma)=   0.3958460003
WmbejDD, D(norm sigma)=  -1.2043395392
WmnefDD XAF, D(norm sigma)=   0.0030383939
WmnefDD XLI, D(norm sigma)=   0.0010877815
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.7418860103
FSD    , D(norm sigma)=   0.0000660256
WamefSD, D(norm sigma)=   0.0365194520
WmnieSD, D(norm sigma)=   0.0446879540
WmaijDS, D(norm sigma)=   0.0455980773
WabejDS, D(norm sigma)=   0.0106094880
WnmjeDS, D(norm sigma)=   0.0004179613
WbmfeDS, D(norm sigma)=  -0.0002130582
FDD_Fbe, D(norm sigma)=   1.0998632066
FDD_Fmj, D(norm sigma)=   1.0232686172
WmnijDD, D(norm sigma)=   0.4711254151
WabefDD, D(norm sigma)=   0.3685858576
WmbejDD, D(norm sigma)=  -1.1098485559
WmnefDD XAF, D(norm sigma)=   0.0016652872
WmnefDD XLI, D(norm sigma)=   0.0008740117
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.253529450987213  0.000000000000001  0.000219243816496 -0.000000000000069  0.000239317543482
    1  -0.000000000000000  0.256849243735860 -0.000000000000192  0.004810573991592 -0.000000000000424
    2   0.000000000000120  0.000000000000000  0.565802022217838 -0.000000000023687  0.472381366746247
    3   0.000000000000000  0.000000000000168 -0.000000000025007  0.981594363695620 -0.000000000026850
    4   0.000097565382179  0.000000000000000  0.485133278420175 -0.000000000027613  1.990286306700094
    5  -0.000000000000000 -0.000106463782138 -0.000000000005799  0.536333949483841 -0.000000000028992
    6  -0.000020682031343  0.000000000000001 -0.089065883486659 -0.000000000002997 -0.898264490452685
    7  -0.000000000000000  0.000019328446265  0.000000000000262  0.001901350053681  0.000000000008666
    8   0.000033289079450 -0.000000000000002  0.159779295450721 -0.000000000004007  0.418184906354642
    9  -0.000000000000000  0.000023149997260  0.000000000002671 -0.098404137875027 -0.000000000002354

                5                  6                  7                  8                  9        

    0  -0.000000000000772 -0.006544638637697  0.000000000001087 -0.007188776358383 -0.000000000001498
    1   0.002308761199979  0.000000000000493 -0.000360546589420  0.000000000000037  0.000356951694449
    2  -0.000000000003545 -0.075106908655693 -0.000000000000889  0.165269029852411  0.000000000002368
    3   0.529940693678409 -0.000000000003152  0.009502621516300 -0.000000000003344 -0.103685187593960
    4  -0.000000000029730 -0.899885812399125  0.000000000008525  0.415003514267907 -0.000000000002784
    5   2.065506495994440 -0.000000000023523 -0.770418263038497  0.000000000021176 -0.192325256805947
    6  -0.000000000023162  1.975828382250318  0.000000000015420  0.745238932435175  0.000000000018613
    7  -0.774167277277278  0.000000000015890  1.835871000999962 -0.000000000010619 -0.837012767324890
    8   0.000000000020492  0.740212330344987 -0.000000000010561  2.241683251362427  0.000000000011419
    9  -0.197107061821097  0.000000000018577 -0.830041573838667  0.000000000013032  2.147535282210647
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000181477287
Norm of residual vector 0  after precondition    0.0000181477287
                     1   0.2535297312  -4.73e-08    1.81e-05      N
Norm of residual vector af preconditioning    0.0000072601625
Norm of final new C in schmidt_add():    0.999999999999999
Norm of residual vector 1  before precondition    0.0000094279883
Norm of residual vector 1  after precondition    0.0000094279883
                     2   0.2568491176   1.40e-09    9.43e-06      N
Norm of residual vector af preconditioning    0.0000043285603
Norm of final new C in schmidt_add():    1.000000000000003
Iter=17   L=12  resetting norm
SigmaSS, D(norm sigma)=   0.9187667049
FSD    , D(norm sigma)=  -0.0000130568
WamefSD, D(norm sigma)=   0.0483592766
WmnieSD, D(norm sigma)=   0.0438326965
WmaijDS, D(norm sigma)=   0.0314437612
WabejDS, D(norm sigma)=   0.0147107545
WnmjeDS, D(norm sigma)=   0.0004761624
WbmfeDS, D(norm sigma)=  -0.0025609610
FDD_Fbe, D(norm sigma)=   1.3555926100
FDD_Fmj, D(norm sigma)=   1.0973032081
WmnijDD, D(norm sigma)=   0.4556717270
WabefDD, D(norm sigma)=   0.4183229620
WmbejDD, D(norm sigma)=  -1.2626879276
WmnefDD XAF, D(norm sigma)=   0.0024794680
WmnefDD XLI, D(norm sigma)=   0.0008597592
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.7265030956
FSD    , D(norm sigma)=   0.0000624419
WamefSD, D(norm sigma)=   0.0445342124
WmnieSD, D(norm sigma)=   0.0683262029
WmaijDS, D(norm sigma)=   0.0444843167
WabejDS, D(norm sigma)=   0.0342887088
WnmjeDS, D(norm sigma)=   0.0002612732
WbmfeDS, D(norm sigma)=  -0.0000669843
FDD_Fbe, D(norm sigma)=   1.1107292430
FDD_Fmj, D(norm sigma)=   1.0290456190
WmnijDD, D(norm sigma)=   0.4825708251
WabefDD, D(norm sigma)=   0.3648029229
WmbejDD, D(norm sigma)=  -1.1318164208
WmnefDD XAF, D(norm sigma)=   0.0021668992
WmnefDD XLI, D(norm sigma)=   0.0005929137
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.253529450987213  0.000000000000001  0.000219243816496 -0.000000000000069  0.000239317543482
    1  -0.000000000000000  0.256849243735860 -0.000000000000192  0.004810573991592 -0.000000000000424
    2   0.000000000000120  0.000000000000000  0.565802022217838 -0.000000000023687  0.472381366746247
    3   0.000000000000000  0.000000000000168 -0.000000000025007  0.981594363695620 -0.000000000026850
    4   0.000097565382179  0.000000000000000  0.485133278420175 -0.000000000027613  1.990286306700094
    5  -0.000000000000000 -0.000106463782138 -0.000000000005799  0.536333949483841 -0.000000000028992
    6  -0.000020682031343  0.000000000000001 -0.089065883486659 -0.000000000002997 -0.898264490452685
    7  -0.000000000000000  0.000019328446265  0.000000000000262  0.001901350053681  0.000000000008666
    8   0.000033289079450 -0.000000000000002  0.159779295450721 -0.000000000004007  0.418184906354642
    9  -0.000000000000000  0.000023149997260  0.000000000002671 -0.098404137875027 -0.000000000002354
   10  -0.000004860912666  0.000000000000001  0.000466462906966 -0.000000000001493 -0.195269139747835
   11  -0.000000000000001  0.000007446804616 -0.000000000011871  0.025908196173230 -0.000000000021552

                5                  6                  7                  8                  9        

    0  -0.000000000000772 -0.006544638637697  0.000000000001087 -0.007188776358383 -0.000000000001498
    1   0.002308761199979  0.000000000000493 -0.000360546589420  0.000000000000037  0.000356951694449
    2  -0.000000000003545 -0.075106908655693 -0.000000000000889  0.165269029852411  0.000000000002368
    3   0.529940693678409 -0.000000000003152  0.009502621516300 -0.000000000003344 -0.103685187593960
    4  -0.000000000029730 -0.899885812399125  0.000000000008525  0.415003514267907 -0.000000000002784
    5   2.065506495994440 -0.000000000023523 -0.770418263038497  0.000000000021176 -0.192325256805947
    6  -0.000000000023162  1.975828382250318  0.000000000015420  0.745238932435175  0.000000000018613
    7  -0.774167277277278  0.000000000015890  1.835871000999962 -0.000000000010619 -0.837012767324890
    8   0.000000000020492  0.740212330344987 -0.000000000010561  2.241683251362427  0.000000000011419
    9  -0.197107061821097  0.000000000018577 -0.830041573838667  0.000000000013032  2.147535282210647
   10  -0.000000000010001  0.268685461178893 -0.000000000002339 -0.902153590168149  0.000000000008262
   11  -0.205600018145716  0.000000000010569  0.259508743873977 -0.000000000012928  0.818577905032949

               10                 11        

    0   0.005532269276932 -0.000000000000858
    1   0.000000000000359 -0.000656595237643
    2  -0.000431245317715 -0.000000000011923
    3  -0.000000000002766  0.021861614896610
    4  -0.195386044839169 -0.000000000020972
    5  -0.000000000010047 -0.208540054197089
    6   0.267352107080144  0.000000000010747
    7  -0.000000000003519  0.260919069307478
    8  -0.896987236245679 -0.000000000012819
    9   0.000000000007407  0.813077163358804
   10   2.563728590604718  0.000000000033636
   11   0.000000000034849  2.222212667763734
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000077930948
Norm of residual vector 0  after precondition    0.0000077930948
                     1   0.2535297827   5.15e-08    7.79e-06      N
Norm of residual vector af preconditioning    0.0000030710917
Norm of final new C in schmidt_add():    0.999999999999999
Norm of residual vector 1  before precondition    0.0000045895292
Norm of residual vector 1  after precondition    0.0000045895292
                     2   0.2568491239   6.30e-09    4.59e-06      N
Norm of residual vector af preconditioning    0.0000018960959
Norm of final new C in schmidt_add():    1.000000000000002
Iter=18   L=14  resetting norm
SigmaSS, D(norm sigma)=   0.7942666761
FSD    , D(norm sigma)=  -0.0001010756
WamefSD, D(norm sigma)=   0.0469029072
WmnieSD, D(norm sigma)=   0.0564129535
WmaijDS, D(norm sigma)=   0.0527121635
WabejDS, D(norm sigma)=   0.0128021807
WnmjeDS, D(norm sigma)=   0.0008414865
WbmfeDS, D(norm sigma)=  -0.0025813331
FDD_Fbe, D(norm sigma)=   1.2289392785
FDD_Fmj, D(norm sigma)=   0.9545361317
WmnijDD, D(norm sigma)=   0.4052445957
WabefDD, D(norm sigma)=   0.3816817623
WmbejDD, D(norm sigma)=  -1.1460368851
WmnefDD XAF, D(norm sigma)=   0.0028233321
WmnefDD XLI, D(norm sigma)=   0.0006601600
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.7605927509
FSD    , D(norm sigma)=   0.0001469018
WamefSD, D(norm sigma)=   0.0559405142
WmnieSD, D(norm sigma)=   0.0832518049
WmaijDS, D(norm sigma)=   0.0388007948
WabejDS, D(norm sigma)=   0.0140595696
WnmjeDS, D(norm sigma)=   0.0001596814
WbmfeDS, D(norm sigma)=  -0.0002091746
FDD_Fbe, D(norm sigma)=   1.1222413299
FDD_Fmj, D(norm sigma)=   1.0126084851
WmnijDD, D(norm sigma)=   0.4626637252
WabefDD, D(norm sigma)=   0.3726922942
WmbejDD, D(norm sigma)=  -1.1801620090
WmnefDD XAF, D(norm sigma)=   0.0026216478
WmnefDD XLI, D(norm sigma)=   0.0009652959
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.253529450987213  0.000000000000001  0.000219243816496 -0.000000000000069  0.000239317543482
    1  -0.000000000000000  0.256849243735860 -0.000000000000192  0.004810573991592 -0.000000000000424
    2   0.000000000000120  0.000000000000000  0.565802022217838 -0.000000000023687  0.472381366746247
    3   0.000000000000000  0.000000000000168 -0.000000000025007  0.981594363695620 -0.000000000026850
    4   0.000097565382179  0.000000000000000  0.485133278420175 -0.000000000027613  1.990286306700094
    5  -0.000000000000000 -0.000106463782138 -0.000000000005799  0.536333949483841 -0.000000000028992
    6  -0.000020682031343  0.000000000000001 -0.089065883486659 -0.000000000002997 -0.898264490452685
    7  -0.000000000000000  0.000019328446265  0.000000000000262  0.001901350053681  0.000000000008666
    8   0.000033289079450 -0.000000000000002  0.159779295450721 -0.000000000004007  0.418184906354642
    9  -0.000000000000000  0.000023149997260  0.000000000002671 -0.098404137875027 -0.000000000002354
   10  -0.000004860912666  0.000000000000001  0.000466462906966 -0.000000000001493 -0.195269139747835
   11  -0.000000000000001  0.000007446804616 -0.000000000011871  0.025908196173230 -0.000000000021552
   12   0.000011116141597 -0.000000000000001  0.057273381972700  0.000000000011286  0.153925305790836
   13  -0.000000000000001 -0.000007134129636 -0.000000000000784  0.029135381989833 -0.000000000024229

                5                  6                  7                  8                  9        

    0  -0.000000000000772 -0.006544638637697  0.000000000001087 -0.007188776358383 -0.000000000001498
    1   0.002308761199979  0.000000000000493 -0.000360546589420  0.000000000000037  0.000356951694449
    2  -0.000000000003545 -0.075106908655693 -0.000000000000889  0.165269029852411  0.000000000002368
    3   0.529940693678409 -0.000000000003152  0.009502621516300 -0.000000000003344 -0.103685187593960
    4  -0.000000000029730 -0.899885812399125  0.000000000008525  0.415003514267907 -0.000000000002784
    5   2.065506495994440 -0.000000000023523 -0.770418263038497  0.000000000021176 -0.192325256805947
    6  -0.000000000023162  1.975828382250318  0.000000000015420  0.745238932435175  0.000000000018613
    7  -0.774167277277278  0.000000000015890  1.835871000999962 -0.000000000010619 -0.837012767324890
    8   0.000000000020492  0.740212330344987 -0.000000000010561  2.241683251362427  0.000000000011419
    9  -0.197107061821097  0.000000000018577 -0.830041573838667  0.000000000013032  2.147535282210647
   10  -0.000000000010001  0.268685461178893 -0.000000000002339 -0.902153590168149  0.000000000008262
   11  -0.205600018145716  0.000000000010569  0.259508743873977 -0.000000000012928  0.818577905032949
   12   0.000000000027523  0.154532669902600 -0.000000000044050  0.442146000507141  0.000000000072103
   13   0.086392794877662  0.000000000048342  0.147565556793246  0.000000000023835 -0.344660598735570

               10                 11                 12                 13        

    0   0.005532269276932 -0.000000000000858  0.000816286381589 -0.000000000000045
    1   0.000000000000359 -0.000656595237643  0.000000000000489 -0.000266984659179
    2  -0.000431245317715 -0.000000000011923  0.058154627530302 -0.000000000000404
    3  -0.000000000002766  0.021861614896610  0.000000000010286  0.030269563727672
    4  -0.195386044839169 -0.000000000020972  0.149445251679312 -0.000000000026130
    5  -0.000000000010047 -0.208540054197089  0.000000000028524  0.086940162944840
    6   0.267352107080144  0.000000000010747  0.155750645425490  0.000000000049073
    7  -0.000000000003519  0.260919069307478 -0.000000000045984  0.143809317801460
    8  -0.896987236245679 -0.000000000012819  0.448270299395825  0.000000000023904
    9   0.000000000007407  0.813077163358804  0.000000000071789 -0.348442083132860
   10   2.563728590604718  0.000000000033636  0.442539090647697  0.000000000044167
   11   0.000000000034849  2.222212667763734  0.000000000015868  0.634498979340772
   12   0.448860672261198  0.000000000014002  2.140750168861654  0.000000000063749
   13   0.000000000043449  0.629845254561563  0.000000000062630  2.222568373873870
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000028272604
Norm of residual vector 0  after precondition    0.0000028272604
                     1   0.2535297809  -1.78e-09    2.83e-06      N
Norm of residual vector af preconditioning    0.0000010318442
Norm of final new C in schmidt_add():    0.999999999999995
Norm of residual vector 1  before precondition    0.0000017783133
Norm of residual vector 1  after precondition    0.0000017783133
                     2   0.2568491249   1.06e-09    1.78e-06      N
Norm of residual vector af preconditioning    0.0000007094034
Norm of final new C in schmidt_add():    1.000000000000006
Iter=19   L=16  resetting norm
SigmaSS, D(norm sigma)=   0.8633261245
FSD    , D(norm sigma)=  -0.0000734225
WamefSD, D(norm sigma)=   0.0249258870
WmnieSD, D(norm sigma)=   0.0361014143
WmaijDS, D(norm sigma)=   0.0378489332
WabejDS, D(norm sigma)=   0.0188198702
WnmjeDS, D(norm sigma)=   0.0002884491
WbmfeDS, D(norm sigma)=  -0.0022798100
FDD_Fbe, D(norm sigma)=   1.4296062252
FDD_Fmj, D(norm sigma)=   1.0631348420
WmnijDD, D(norm sigma)=   0.4656909970
WabefDD, D(norm sigma)=   0.4356785819
WmbejDD, D(norm sigma)=  -1.1850463149
WmnefDD XAF, D(norm sigma)=   0.0031295213
WmnefDD XLI, D(norm sigma)=   0.0010024747
resetting norm
resetting norm
SigmaSS, D(norm sigma)=   0.7128458571
FSD    , D(norm sigma)=   0.0001804218
WamefSD, D(norm sigma)=   0.0197113987
WmnieSD, D(norm sigma)=   0.0739165462
WmaijDS, D(norm sigma)=   0.0426437967
WabejDS, D(norm sigma)=   0.0219451272
WnmjeDS, D(norm sigma)=   0.0009379532
WbmfeDS, D(norm sigma)=  -0.0003635569
FDD_Fbe, D(norm sigma)=   1.3061537409
FDD_Fmj, D(norm sigma)=   1.0744721187
WmnijDD, D(norm sigma)=   0.4682328192
WabefDD, D(norm sigma)=   0.3674562284
WmbejDD, D(norm sigma)=  -1.2024175183
WmnefDD XAF, D(norm sigma)=   0.0021421979
WmnefDD XLI, D(norm sigma)=   0.0004209648
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.253529450987213  0.000000000000001  0.000219243816496 -0.000000000000069  0.000239317543482
    1  -0.000000000000000  0.256849243735860 -0.000000000000192  0.004810573991592 -0.000000000000424
    2   0.000000000000120  0.000000000000000  0.565802022217838 -0.000000000023687  0.472381366746247
    3   0.000000000000000  0.000000000000168 -0.000000000025007  0.981594363695620 -0.000000000026850
    4   0.000097565382179  0.000000000000000  0.485133278420175 -0.000000000027613  1.990286306700094
    5  -0.000000000000000 -0.000106463782138 -0.000000000005799  0.536333949483841 -0.000000000028992
    6  -0.000020682031343  0.000000000000001 -0.089065883486659 -0.000000000002997 -0.898264490452685
    7  -0.000000000000000  0.000019328446265  0.000000000000262  0.001901350053681  0.000000000008666
    8   0.000033289079450 -0.000000000000002  0.159779295450721 -0.000000000004007  0.418184906354642
    9  -0.000000000000000  0.000023149997260  0.000000000002671 -0.098404137875027 -0.000000000002354
   10  -0.000004860912666  0.000000000000001  0.000466462906966 -0.000000000001493 -0.195269139747835
   11  -0.000000000000001  0.000007446804616 -0.000000000011871  0.025908196173230 -0.000000000021552
   12   0.000011116141597 -0.000000000000001  0.057273381972700  0.000000000011286  0.153925305790836
   13  -0.000000000000001 -0.000007134129636 -0.000000000000784  0.029135381989833 -0.000000000024229
   14  -0.000012315520445 -0.000000000000001 -0.084907374547176  0.000000000012719 -0.294490172669002
   15  -0.000000000000002  0.000012097694906  0.000000000008877 -0.119424151845878 -0.000000000017182

                5                  6                  7                  8                  9        

    0  -0.000000000000772 -0.006544638637697  0.000000000001087 -0.007188776358383 -0.000000000001498
    1   0.002308761199979  0.000000000000493 -0.000360546589420  0.000000000000037  0.000356951694449
    2  -0.000000000003545 -0.075106908655693 -0.000000000000889  0.165269029852411  0.000000000002368
    3   0.529940693678409 -0.000000000003152  0.009502621516300 -0.000000000003344 -0.103685187593960
    4  -0.000000000029730 -0.899885812399125  0.000000000008525  0.415003514267907 -0.000000000002784
    5   2.065506495994440 -0.000000000023523 -0.770418263038497  0.000000000021176 -0.192325256805947
    6  -0.000000000023162  1.975828382250318  0.000000000015420  0.745238932435175  0.000000000018613
    7  -0.774167277277278  0.000000000015890  1.835871000999962 -0.000000000010619 -0.837012767324890
    8   0.000000000020492  0.740212330344987 -0.000000000010561  2.241683251362427  0.000000000011419
    9  -0.197107061821097  0.000000000018577 -0.830041573838667  0.000000000013032  2.147535282210647
   10  -0.000000000010001  0.268685461178893 -0.000000000002339 -0.902153590168149  0.000000000008262
   11  -0.205600018145716  0.000000000010569  0.259508743873977 -0.000000000012928  0.818577905032949
   12   0.000000000027523  0.154532669902600 -0.000000000044050  0.442146000507141  0.000000000072103
   13   0.086392794877662  0.000000000048342  0.147565556793246  0.000000000023835 -0.344660598735570
   14   0.000000000030381  0.181840844907712 -0.000000000023605 -0.262463889530675  0.000000000007171
   15  -0.275795226330079  0.000000000067094  0.110753449887783  0.000000000030318  0.305514465863423

               10                 11                 12                 13                 14        

    0   0.005532269276932 -0.000000000000858  0.000816286381589 -0.000000000000045  0.000290440307408
    1   0.000000000000359 -0.000656595237643  0.000000000000489 -0.000266984659179 -0.000000000000058
    2  -0.000431245317715 -0.000000000011923  0.058154627530302 -0.000000000000404 -0.084050969375585
    3  -0.000000000002766  0.021861614896610  0.000000000010286  0.030269563727672  0.000000000014345
    4  -0.195386044839169 -0.000000000020972  0.149445251679312 -0.000000000026130 -0.296382824247867
    5  -0.000000000010047 -0.208540054197089  0.000000000028524  0.086940162944840  0.000000000032865
    6   0.267352107080144  0.000000000010747  0.155750645425490  0.000000000049073  0.188038863123908
    7  -0.000000000003519  0.260919069307478 -0.000000000045984  0.143809317801460 -0.000000000025593
    8  -0.896987236245679 -0.000000000012819  0.448270299395825  0.000000000023904 -0.252276850387261
    9   0.000000000007407  0.813077163358804  0.000000000071789 -0.348442083132860  0.000000000010857
   10   2.563728590604718  0.000000000033636  0.442539090647697  0.000000000044167  0.385659761072426
   11   0.000000000034849  2.222212667763734  0.000000000015868  0.634498979340772  0.000000000035866
   12   0.448860672261198  0.000000000014002  2.140750168861654  0.000000000063749 -0.887445494999656
   13   0.000000000043449  0.629845254561563  0.000000000062630  2.222568373873870  0.000000000036212
   14   0.396098072813737  0.000000000035105 -0.876459662452225  0.000000000034331  2.561387598901051
   15   0.000000000061918  0.496060021547583  0.000000000080287 -0.634065950279092  0.000000000008078

               15        

    0  -0.000000000000873
    1   0.001425292833765
    2   0.000000000007379
    3  -0.121741405933374
    4  -0.000000000018384
    5  -0.276454809317871
    6   0.000000000069948
    7   0.117846098687117
    8   0.000000000030872
    9   0.310087278446413
   10   0.000000000062006
   11   0.491655900611367
   12   0.000000000081366
   13  -0.630671818198452
   14   0.000000000006756
   15   2.305672255129018
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000011238574
Norm of residual vector 0  after precondition    0.0000011238574
                     1   0.2535297810   1.20e-10    1.12e-06      N
Norm of residual vector af preconditioning    0.0000005393642
Norm of final new C in schmidt_add():    1.000000000000002
Norm of residual vector 1  before precondition    0.0000006975694
Norm of residual vector 1  after precondition    0.0000006975694
                     2   0.2568491274   2.50e-09    6.98e-07      Y
Iter=20   L=17  resetting norm
SigmaSS, D(norm sigma)=   0.8319213194
FSD    , D(norm sigma)=  -0.0000327955
WamefSD, D(norm sigma)=   0.0257119517
WmnieSD, D(norm sigma)=   0.0319689478
WmaijDS, D(norm sigma)=   0.0582657138
WabejDS, D(norm sigma)=   0.0227213566
WnmjeDS, D(norm sigma)=  -0.0000139757
WbmfeDS, D(norm sigma)=  -0.0003213114
FDD_Fbe, D(norm sigma)=   1.4714448042
FDD_Fmj, D(norm sigma)=   0.9704731020
WmnijDD, D(norm sigma)=   0.3967334875
WabefDD, D(norm sigma)=   0.3779292894
WmbejDD, D(norm sigma)=  -1.0837351766
WmnefDD XAF, D(norm sigma)=   0.0019035124
WmnefDD XLI, D(norm sigma)=   0.0012182736
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.253529450987213  0.000000000000001  0.000219243816496 -0.000000000000069  0.000239317543482
    1  -0.000000000000000  0.256849243735860 -0.000000000000192  0.004810573991592 -0.000000000000424
    2   0.000000000000120  0.000000000000000  0.565802022217838 -0.000000000023687  0.472381366746247
    3   0.000000000000000  0.000000000000168 -0.000000000025007  0.981594363695620 -0.000000000026850
    4   0.000097565382179  0.000000000000000  0.485133278420175 -0.000000000027613  1.990286306700094
    5  -0.000000000000000 -0.000106463782138 -0.000000000005799  0.536333949483841 -0.000000000028992
    6  -0.000020682031343  0.000000000000001 -0.089065883486659 -0.000000000002997 -0.898264490452685
    7  -0.000000000000000  0.000019328446265  0.000000000000262  0.001901350053681  0.000000000008666
    8   0.000033289079450 -0.000000000000002  0.159779295450721 -0.000000000004007  0.418184906354642
    9  -0.000000000000000  0.000023149997260  0.000000000002671 -0.098404137875027 -0.000000000002354
   10  -0.000004860912666  0.000000000000001  0.000466462906966 -0.000000000001493 -0.195269139747835
   11  -0.000000000000001  0.000007446804616 -0.000000000011871  0.025908196173230 -0.000000000021552
   12   0.000011116141597 -0.000000000000001  0.057273381972700  0.000000000011286  0.153925305790836
   13  -0.000000000000001 -0.000007134129636 -0.000000000000784  0.029135381989833 -0.000000000024229
   14  -0.000012315520445 -0.000000000000001 -0.084907374547176  0.000000000012719 -0.294490172669002
   15  -0.000000000000002  0.000012097694906  0.000000000008877 -0.119424151845878 -0.000000000017182
   16  -0.000001576214161 -0.000000000000001  0.027106437509670 -0.000000000034858 -0.070196200054077

                5                  6                  7                  8                  9        

    0  -0.000000000000772 -0.006544638637697  0.000000000001087 -0.007188776358383 -0.000000000001498
    1   0.002308761199979  0.000000000000493 -0.000360546589420  0.000000000000037  0.000356951694449
    2  -0.000000000003545 -0.075106908655693 -0.000000000000889  0.165269029852411  0.000000000002368
    3   0.529940693678409 -0.000000000003152  0.009502621516300 -0.000000000003344 -0.103685187593960
    4  -0.000000000029730 -0.899885812399125  0.000000000008525  0.415003514267907 -0.000000000002784
    5   2.065506495994440 -0.000000000023523 -0.770418263038497  0.000000000021176 -0.192325256805947
    6  -0.000000000023162  1.975828382250318  0.000000000015420  0.745238932435175  0.000000000018613
    7  -0.774167277277278  0.000000000015890  1.835871000999962 -0.000000000010619 -0.837012767324890
    8   0.000000000020492  0.740212330344987 -0.000000000010561  2.241683251362427  0.000000000011419
    9  -0.197107061821097  0.000000000018577 -0.830041573838667  0.000000000013032  2.147535282210647
   10  -0.000000000010001  0.268685461178893 -0.000000000002339 -0.902153590168149  0.000000000008262
   11  -0.205600018145716  0.000000000010569  0.259508743873977 -0.000000000012928  0.818577905032949
   12   0.000000000027523  0.154532669902600 -0.000000000044050  0.442146000507141  0.000000000072103
   13   0.086392794877662  0.000000000048342  0.147565556793246  0.000000000023835 -0.344660598735570
   14   0.000000000030381  0.181840844907712 -0.000000000023605 -0.262463889530675  0.000000000007171
   15  -0.275795226330079  0.000000000067094  0.110753449887783  0.000000000030318  0.305514465863423
   16  -0.000000000022153  0.298445624932851  0.000000000019019  0.106170589236995 -0.000000000063140

               10                 11                 12                 13                 14        

    0   0.005532269276932 -0.000000000000858  0.000816286381589 -0.000000000000045  0.000290440307408
    1   0.000000000000359 -0.000656595237643  0.000000000000489 -0.000266984659179 -0.000000000000058
    2  -0.000431245317715 -0.000000000011923  0.058154627530302 -0.000000000000404 -0.084050969375585
    3  -0.000000000002766  0.021861614896610  0.000000000010286  0.030269563727672  0.000000000014345
    4  -0.195386044839169 -0.000000000020972  0.149445251679312 -0.000000000026130 -0.296382824247867
    5  -0.000000000010047 -0.208540054197089  0.000000000028524  0.086940162944840  0.000000000032865
    6   0.267352107080144  0.000000000010747  0.155750645425490  0.000000000049073  0.188038863123908
    7  -0.000000000003519  0.260919069307478 -0.000000000045984  0.143809317801460 -0.000000000025593
    8  -0.896987236245679 -0.000000000012819  0.448270299395825  0.000000000023904 -0.252276850387261
    9   0.000000000007407  0.813077163358804  0.000000000071789 -0.348442083132860  0.000000000010857
   10   2.563728590604718  0.000000000033636  0.442539090647697  0.000000000044167  0.385659761072426
   11   0.000000000034849  2.222212667763734  0.000000000015868  0.634498979340772  0.000000000035866
   12   0.448860672261198  0.000000000014002  2.140750168861654  0.000000000063749 -0.887445494999656
   13   0.000000000043449  0.629845254561563  0.000000000062630  2.222568373873870  0.000000000036212
   14   0.396098072813737  0.000000000035105 -0.876459662452225  0.000000000034331  2.561387598901051
   15   0.000000000061918  0.496060021547583  0.000000000080287 -0.634065950279092  0.000000000008078
   16   0.619685274466439 -0.000000000117081  0.731175665480787 -0.000000000006035  0.784121742838756

               15                 16        

    0  -0.000000000000873  0.004643706934255
    1   0.001425292833765  0.000000000000024
    2   0.000000000007379  0.031756127567795
    3  -0.121741405933374 -0.000000000035144
    4  -0.000000000018384 -0.074698297725086
    5  -0.276454809317871 -0.000000000024451
    6   0.000000000069948  0.297247619421475
    7   0.117846098687117  0.000000000021515
    8   0.000000000030872  0.104882351957844
    9   0.310087278446413 -0.000000000066022
   10   0.000000000062006  0.633736737304659
   11   0.491655900611367 -0.000000000121331
   12   0.000000000081366  0.746623285078530
   13  -0.630671818198452 -0.000000000007386
   14   0.000000000006756  0.773387035816854
   15   2.305672255129018 -0.000000000086505
   16  -0.000000000088374  2.252436589380680
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000006234099
Norm of residual vector 0  after precondition    0.0000006234099
                     1   0.2535297844   3.42e-09    6.23e-07      Y
Norm of residual vector 1  before precondition    0.0000006975694
Norm of residual vector 1  after precondition    0.0000006975694
                     2   0.2568491274   5.55e-17    6.98e-07      Y
Collapsing to only 2 vector(s).
alpha

           1           2           3           4           5           6           7           8           9          10

    1  -1.0000000   0.0000000   0.0099928  -0.0000000  -0.0052325  -0.0000000  -0.0021317   0.0000000   0.0026147   0.0000000
    2  -0.0000000   1.0000000   0.0000000   0.0006095  -0.0000000  -0.0077946   0.0000000  -0.0017643   0.0000000  -0.0019556
    3  -0.0002080  -0.0000000   0.7889163   0.0000000   0.4862508  -0.0000000  -0.2414633  -0.0000000  -0.2047779  -0.0000000
    4  -0.0000000  -0.0000730   0.0000000   0.2711261  -0.0000000  -0.7712720   0.0000000  -0.4537813   0.0000000  -0.2996481
    5   0.0001632   0.0000000  -0.4587287   0.0000000   0.1963376  -0.0000000  -0.1555272  -0.0000000  -0.4135927  -0.0000000
    6   0.0000000   0.0001035  -0.0000000  -0.3819826   0.0000000   0.3113178  -0.0000000  -0.1351324   0.0000000  -0.5800314
    7   0.0000802   0.0000000  -0.3254460   0.0000000   0.4261265  -0.0000000  -0.2923464  -0.0000000  -0.3367814   0.0000000
    8   0.0000000   0.0000511  -0.0000000  -0.5703655   0.0000000   0.0076756   0.0000000  -0.4433830   0.0000000  -0.1420873
    9  -0.0000378  -0.0000000   0.2206723  -0.0000000  -0.4854166   0.0000000   0.2080808  -0.0000000  -0.3034848  -0.0000000
   10  -0.0000000   0.0000215  -0.0000000  -0.5150703   0.0000000  -0.2410918   0.0000000  -0.1535521  -0.0000000   0.3883414
   11  -0.0000136  -0.0000000   0.1008486  -0.0000000  -0.3137882   0.0000000   0.0694516  -0.0000000  -0.5794185  -0.0000000
   12   0.0000000  -0.0000090   0.0000000   0.3738238  -0.0000000   0.3647882  -0.0000000  -0.3142825   0.0000000  -0.2255962
   13   0.0000057  -0.0000000  -0.0456499   0.0000000   0.3515538   0.0000000   0.5454550   0.0000000   0.2395540  -0.0000000
   14  -0.0000000   0.0000033  -0.0000000  -0.2048391   0.0000000  -0.2872416   0.0000000   0.5103165  -0.0000000  -0.0566527
   15   0.0000020  -0.0000000  -0.0145585   0.0000000   0.2288168   0.0000000   0.4835168   0.0000000  -0.0480725  -0.0000000
   16  -0.0000000   0.0000010  -0.0000000  -0.0908956  -0.0000000  -0.1854658   0.0000000   0.4432330   0.0000000  -0.5904826
   17  -0.0000009   0.0000000   0.0012793  -0.0000000  -0.1826500  -0.0000000  -0.5025982   0.0000000   0.4313382   0.0000000

          11          12          13          14          15          16          17

    1  -0.0007374  -0.0000000   0.0032905   0.0000000  -0.0007190  -0.0000000  -0.0016093
    2   0.0000000   0.0001029  -0.0000000   0.0007906   0.0000000  -0.0001382  -0.0000000
    3  -0.1598030  -0.0000000   0.0685816   0.0000000   0.0424911   0.0000000   0.0691882
    4   0.0000000   0.0997110  -0.0000000   0.1005331   0.0000000  -0.1064552  -0.0000000
    5  -0.5926443  -0.0000000   0.3381998   0.0000000   0.0069299  -0.0000000   0.3046357
    6   0.0000000   0.2730631  -0.0000000   0.5031964   0.0000000  -0.2775491  -0.0000000
    7   0.3322879  -0.0000000  -0.5002343  -0.0000000   0.3493886   0.0000000  -0.1922543
    8   0.0000000  -0.2199678   0.0000000  -0.6385838   0.0000000  -0.0564137  -0.0000000
    9  -0.2542754  -0.0000000  -0.4535519  -0.0000000   0.4397165   0.0000000   0.3240059
   10  -0.0000000   0.2451773  -0.0000000   0.3357866  -0.0000000   0.5680505   0.0000000
   11   0.1674347   0.0000000   0.4375132   0.0000000   0.1434573   0.0000000  -0.5615908
   12  -0.0000000   0.4970306   0.0000000  -0.2781486  -0.0000000   0.5088085   0.0000000
   13   0.0500097   0.0000000   0.3238803   0.0000000   0.6483668   0.0000000   0.0286516
   14  -0.0000000   0.6599463   0.0000000  -0.3715296   0.0000000  -0.1971002  -0.0000000
   15  -0.4822668  -0.0000000  -0.3585563  -0.0000000  -0.2798713  -0.0000000  -0.5163320
   16   0.0000000  -0.3527435   0.0000000  -0.0272582  -0.0000000   0.5366892   0.0000000
   17  -0.4301714  -0.0000000   0.0091657   0.0000000   0.4042717   0.0000000  -0.4214998
alpha_old

           1           2           3           4           5           6           7           8           9          10

    1   1.0000000   0.0000000  -0.0099473   0.0000000   0.0028327  -0.0000000   0.0018064   0.0000000   0.0000000  -0.0004400
    2   0.0000000   1.0000000  -0.0000000  -0.0006095   0.0000000   0.0077946   0.0000000  -0.0017643  -0.0019556   0.0000000
    3   0.0002081  -0.0000000  -0.7892451  -0.0000000  -0.5271497   0.0000000  -0.1975897  -0.0000000   0.0000000   0.2052324
    4   0.0000000  -0.0000730  -0.0000000  -0.2711261   0.0000000   0.7712720   0.0000000  -0.4537813  -0.2996481   0.0000000
    5  -0.0001631   0.0000000   0.4586274  -0.0000000  -0.2191347   0.0000000  -0.2641894  -0.0000000   0.0000000   0.5740735
    6  -0.0000000   0.0001035   0.0000000   0.3819826  -0.0000000  -0.3113178  -0.0000000  -0.1351324  -0.5800314   0.0000000
    7  -0.0000801   0.0000000   0.3251899  -0.0000000  -0.4703790   0.0000000  -0.3621667  -0.0000000   0.0000000   0.0464136
    8  -0.0000000   0.0000511   0.0000000   0.5703655  -0.0000000  -0.0076756   0.0000000  -0.4433830  -0.1420873   0.0000000
    9   0.0000378  -0.0000000  -0.2204067   0.0000000   0.5285925  -0.0000000  -0.0566652  -0.0000000   0.0000000   0.4175161
   10   0.0000000   0.0000215   0.0000000   0.5150703  -0.0000000   0.2410918   0.0000000  -0.1535521   0.3883414  -0.0000000
   11   0.0000136  -0.0000000  -0.1007312   0.0000000   0.3427052  -0.0000000  -0.3263641  -0.0000000   0.0000000   0.3707461
   12  -0.0000000  -0.0000090  -0.0000000  -0.3738238   0.0000000  -0.3647882  -0.0000000  -0.3142825  -0.2255962  -0.0000000
   13  -0.0000051  -0.0000000   0.0446311  -0.0000000  -0.2131993  -0.0000000   0.6634025   0.0000000   0.0000000   0.1632692
   14   0.0000000   0.0000033   0.0000000   0.2048391  -0.0000000   0.2872416  -0.0000000   0.5103165  -0.0566527   0.0000000
   15  -0.0000015  -0.0000000   0.0137063  -0.0000000  -0.1025566  -0.0000000   0.4584396   0.0000000   0.0000000   0.5364100
   16   0.0000000   0.0000010   0.0000000   0.0908956   0.0000000   0.1854658  -0.0000000   0.4432330  -0.5904826   0.0000000

          11          12          13          14          15          16

    1  -0.0000000  -0.0028144  -0.0020484   0.0000000   0.0000000   0.0015714
    2   0.0001029  -0.0000000   0.0000000   0.0007906   0.0001382   0.0000000
    3   0.0000000  -0.0414647  -0.0788119   0.0000000   0.0000000  -0.0933290
    4   0.0997110  -0.0000000   0.0000000   0.1005331   0.1064552   0.0000000
    5   0.0000000  -0.1718850  -0.4726453   0.0000000   0.0000000  -0.3261284
    6   0.2730631  -0.0000000   0.0000000   0.5031964   0.2775491  -0.0000000
    7  -0.0000000   0.2579154   0.7088422  -0.0000000  -0.0000000   0.0555347
    8  -0.2199678   0.0000000  -0.0000000  -0.6385838   0.0564137   0.0000000
    9  -0.0000000   0.3705423   0.3387080  -0.0000000  -0.0000000  -0.5046730
   10   0.2451773   0.0000000   0.0000000   0.3357866  -0.5680505  -0.0000000
   11  -0.0000000  -0.5815970   0.2085700  -0.0000000  -0.0000000   0.4687398
   12   0.4970306   0.0000000  -0.0000000  -0.2781486  -0.5088085   0.0000000
   13  -0.0000000  -0.4992196   0.3290131  -0.0000000  -0.0000000  -0.3207317
   14   0.6599463  -0.0000000  -0.0000000  -0.3715296   0.1971002   0.0000000
   15   0.0000000   0.4212257  -0.0382025   0.0000000   0.0000000   0.5518721
   16  -0.3527435   0.0000000  -0.0000000  -0.0272582  -0.5366892   0.0000000
alpha_tot

           1           2           3           4           5           6           7           8           9          10

    1  -1.0000000   0.0000000   0.0099928  -0.0000000  -0.0052325  -0.0000000  -0.0021317   0.0000000   0.0026147   0.0000000
    2  -0.0000000   1.0000000   0.0000000   0.0006095  -0.0000000  -0.0077946   0.0000000  -0.0017643   0.0000000  -0.0019556
    3  -0.0002080  -0.0000000   0.7889163   0.0000000   0.4862508  -0.0000000  -0.2414633  -0.0000000  -0.2047779  -0.0000000
    4  -0.0000000  -0.0000730   0.0000000   0.2711261  -0.0000000  -0.7712720   0.0000000  -0.4537813   0.0000000  -0.2996481
    5   0.0001632   0.0000000  -0.4587287   0.0000000   0.1963376  -0.0000000  -0.1555272  -0.0000000  -0.4135927  -0.0000000
    6   0.0000000   0.0001035  -0.0000000  -0.3819826   0.0000000   0.3113178  -0.0000000  -0.1351324   0.0000000  -0.5800314
    7   0.0000802   0.0000000  -0.3254460   0.0000000   0.4261265  -0.0000000  -0.2923464  -0.0000000  -0.3367814   0.0000000
    8   0.0000000   0.0000511  -0.0000000  -0.5703655   0.0000000   0.0076756   0.0000000  -0.4433830   0.0000000  -0.1420873
    9  -0.0000378  -0.0000000   0.2206723  -0.0000000  -0.4854166   0.0000000   0.2080808  -0.0000000  -0.3034848  -0.0000000
   10  -0.0000000   0.0000215  -0.0000000  -0.5150703   0.0000000  -0.2410918   0.0000000  -0.1535521  -0.0000000   0.3883414
   11  -0.0000136  -0.0000000   0.1008486  -0.0000000  -0.3137882   0.0000000   0.0694516  -0.0000000  -0.5794185  -0.0000000
   12   0.0000000  -0.0000090   0.0000000   0.3738238  -0.0000000   0.3647882  -0.0000000  -0.3142825   0.0000000  -0.2255962
   13   0.0000057  -0.0000000  -0.0456499   0.0000000   0.3515538   0.0000000   0.5454550   0.0000000   0.2395540  -0.0000000
   14  -0.0000000   0.0000033  -0.0000000  -0.2048391   0.0000000  -0.2872416   0.0000000   0.5103165  -0.0000000  -0.0566527
   15   0.0000020  -0.0000000  -0.0145585   0.0000000   0.2288168   0.0000000   0.4835168   0.0000000  -0.0480725  -0.0000000
   16  -0.0000000   0.0000010  -0.0000000  -0.0908956  -0.0000000  -0.1854658   0.0000000   0.4432330   0.0000000  -0.5904826
   17  -0.0000009   0.0000000   0.0012793  -0.0000000  -0.1826500  -0.0000000  -0.5025982   0.0000000   0.4313382   0.0000000

          11          12          13          14          15          16          17

    1  -0.0007374  -0.0000000   0.0032905   0.0000000  -0.0007190  -0.0000000  -0.0016093
    2   0.0000000   0.0001029  -0.0000000   0.0007906   0.0000000  -0.0001382  -0.0000000
    3  -0.1598030  -0.0000000   0.0685816   0.0000000   0.0424911   0.0000000   0.0691882
    4   0.0000000   0.0997110  -0.0000000   0.1005331   0.0000000  -0.1064552  -0.0000000
    5  -0.5926443  -0.0000000   0.3381998   0.0000000   0.0069299  -0.0000000   0.3046357
    6   0.0000000   0.2730631  -0.0000000   0.5031964   0.0000000  -0.2775491  -0.0000000
    7   0.3322879  -0.0000000  -0.5002343  -0.0000000   0.3493886   0.0000000  -0.1922543
    8   0.0000000  -0.2199678   0.0000000  -0.6385838   0.0000000  -0.0564137  -0.0000000
    9  -0.2542754  -0.0000000  -0.4535519  -0.0000000   0.4397165   0.0000000   0.3240059
   10  -0.0000000   0.2451773  -0.0000000   0.3357866  -0.0000000   0.5680505   0.0000000
   11   0.1674347   0.0000000   0.4375132   0.0000000   0.1434573   0.0000000  -0.5615908
   12  -0.0000000   0.4970306   0.0000000  -0.2781486  -0.0000000   0.5088085   0.0000000
   13   0.0500097   0.0000000   0.3238803   0.0000000   0.6483668   0.0000000   0.0286516
   14  -0.0000000   0.6599463   0.0000000  -0.3715296   0.0000000  -0.1971002  -0.0000000
   15  -0.4822668  -0.0000000  -0.3585563  -0.0000000  -0.2798713  -0.0000000  -0.5163320
   16   0.0000000  -0.3527435   0.0000000  -0.0272582  -0.0000000   0.5366892   0.0000000
   17  -0.4301714  -0.0000000   0.0091657   0.0000000   0.4042717   0.0000000  -0.4214998

Procedure converged for 2 root(s).
Energy written to chkpt:Etot -150.9170139451
EOM CCSD R0 for root 0 =   0.00000000000
Norm with produced ROHF-like quantities =    1.0000000000

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

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     7	col =    29

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

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

    0  (  0) -0.000000000000033  0.006503866324261  0.002656867907358 -0.000000000000057  0.002309337693405  0.000000000000007 -0.001500628278138 -0.001527455325715 -0.000000000000051
    1  (  1) -0.001417989110064 -0.000000000000014 -0.000000000000009 -0.001829235715772 -0.000000000000053  0.001507802266138 -0.000000000000013 -0.000000000000002  0.000815497109330
    2  (  2)  0.000000000000037 -0.008270317976269 -0.005251593766800  0.000000000000009 -0.000239727754158  0.000000000000065  0.000090840329994 -0.003836622971730 -0.000000000000136
    3  (  3) -0.018256565837545  0.000000000002715  0.000000000002201  0.003973124603579  0.000000000000342 -0.003248809488784 -0.000000000000131  0.000000000000047  0.001166836059384
    4  (  4) -0.000000000000433  0.043210655406114  0.040848153948396 -0.000000000000103  0.006052791341243 -0.000000000000196 -0.007572368973999  0.002645302215426  0.000000000000060
    5  (  5)  0.024970614406085 -0.000000000003700 -0.000000000002981 -0.002335836077571 -0.000000000000397  0.007510170347753  0.000000000000106 -0.000000000000051  0.000014803839495
    6  (  6)  0.000000000001629 -0.537100154409050 -0.416123213900331  0.000000000001168 -0.050405237203231  0.000000000000519  0.033712880845674 -0.022936949748373 -0.000000000000590

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

    0  (  0)  0.000000000000012 -0.000077873349246  0.000000000000005 -0.000000000000005 -0.000488911236184 -0.001716485024653 -0.000000000000004 -0.000478943469060  0.000000000000001
    1  (  1)  0.000595734624569 -0.000000000000010  0.000743256398604  0.001690165483161 -0.000000000000030  0.000000000000011 -0.000516877437036  0.000000000000007  0.000448400917587
    2  (  2) -0.000000000000059 -0.002746303506901  0.000000000000019 -0.000000000000133 -0.005187897862211 -0.000620175091152 -0.000000000000005  0.001799802503485 -0.000000000000002
    3  (  3) -0.001397090899647 -0.000000000000149  0.002702326688720 -0.004333746568444  0.000000000000138  0.000000000000034 -0.009113457610609 -0.000000000000035 -0.004059045768923
    4  (  4) -0.000000000000056 -0.004776963852575  0.000000000000012 -0.000000000000001 -0.000373122959931 -0.002388571444300 -0.000000000000078 -0.001539349694812 -0.000000000000068
    5  (  5)  0.000675070386630  0.000000000000244  0.000944078503805 -0.002060011004747  0.000000000000029 -0.000000000000054  0.005626436564958  0.000000000000092  0.003102021682007
    6  (  6)  0.000000000000394  0.033604393731126 -0.000000000000027 -0.000000000000107 -0.003159977098690 -0.005015664228119 -0.000000000000153  0.018459852379475 -0.000000000000150

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

    0  (  0) -0.000129061388537  0.003886361155930  0.000000000000002  0.000000000000007  0.000000000000006 -0.000154558006226 -0.000000000000009 -0.000199716660135 -0.000109947180759
    1  (  1) -0.000000000000007 -0.000000000000025 -0.000001841437065  0.000367414241054  0.000642284332481  0.000000000000020 -0.001004230779487 -0.000000000000003  0.000000000000003
    2  (  2)  0.000220729897531  0.003547805725944 -0.000000000000017  0.000000000000008 -0.000000000000166  0.004173647418614 -0.000000000000007  0.000289299096151 -0.001640585823785
    3  (  3)  0.000000000000093 -0.000000000000039 -0.003795799533984  0.000014634652172 -0.004176803592941 -0.000000000000141  0.000271201510985 -0.000000000000016  0.000000000000050
    4  (  4) -0.001925261000490  0.008049083154044 -0.000000000000002  0.000000000000006  0.000000000000051 -0.001393465304079 -0.000000000000009  0.000226146437535  0.001140660190862
    5  (  5) -0.000000000000093  0.000000000000040  0.000261939418576  0.000813543587500 -0.002546982255821 -0.000000000000128 -0.000234600073616  0.000000000000021 -0.000000000000050
    6  (  6) -0.003526534660514 -0.001924161013087 -0.000000000000215 -0.000000000000043  0.000000000000067 -0.002243908848484 -0.000000000000001  0.002351814873216 -0.004412455057852

                        27                 28     
                      ( 27)              ( 28)    

    0  (  0)  0.000000000000002 -0.000081092239529
    1  (  1)  0.000235906236343  0.000000000000001
    2  (  2)  0.000000000000015 -0.000186870985229
    3  (  3)  0.001975562233628 -0.000000000000021
    4  (  4)  0.000000000000022 -0.000022527207093
    5  (  5) -0.003166684798576  0.000000000000026
    6  (  6)  0.000000000000102  0.002210596440348
EOM CCSD R0 for root 1 =  -0.00300681392
Norm with produced ROHF-like quantities =    1.0000000000

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

	   Row and column dimensions for DPD Block:
	   ----------------------------------------
	   Irrep: 0 row =     7	col =    29

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

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

    0  (  0)  0.005519019652136  0.000000000000027 -0.000000000000017  0.000868317834076  0.000000000000017  0.000068555896016 -0.000000000000010 -0.000000000000009  0.000241314441622
    1  (  1)  0.000000000000015  0.001787020709984 -0.003235175938221  0.000000000000018 -0.000625312737157 -0.000000000000016 -0.001654068730479 -0.000636792608459 -0.000000000000034
    2  (  2) -0.016088409701612 -0.000000000000091  0.000000000000058 -0.004005806402291 -0.000000000000108 -0.000905134482564 -0.000000000000011 -0.000000000000040  0.001037025686260
    3  (  3)  0.000000000003953 -0.039366263239216  0.032327432664368  0.000000000000582 -0.011638584921595  0.000000000000054 -0.004750613879066 -0.001553940644167 -0.000000000000113
    4  (  4)  0.033036735746804 -0.000000000000398  0.000000000000299  0.004015192723335 -0.000000000000052  0.002465669561668 -0.000000000000039 -0.000000000000019  0.000756984775468
    5  (  5) -0.000000000005235  0.042160530062509 -0.027885186129850 -0.000000000000687  0.011212517622658 -0.000000000000168 -0.000160976657135  0.002170293543314  0.000000000000115
    6  (  6) -0.676085186645888 -0.000000000003546  0.000000000001529 -0.062724196744459 -0.000000000001739 -0.020783103690501  0.000000000000251 -0.000000000000285  0.000719964929489

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

    0  (  0) -0.000250404290738  0.000000000000003  0.000096518548951 -0.001005580368100  0.000000000000017 -0.000000000000001  0.000629319289637 -0.000000000000002 -0.000457936404665
    1  (  1)  0.000000000000000 -0.000364231648885  0.000000000000004 -0.000000000000027 -0.001287317842385  0.000739673085897  0.000000000000003  0.000398862180118 -0.000000000000017
    2  (  2)  0.000480650764863 -0.000000000000024 -0.000963570713732  0.001845964807987 -0.000000000000024  0.000000000000000 -0.000809031679574  0.000000000000012  0.000580203503872
    3  (  3) -0.000000000000166 -0.007400229952067 -0.000000000000084 -0.000000000000009  0.000581998146757 -0.001612485319774  0.000000000000117  0.003248167131383 -0.000000000000059
    4  (  4)  0.001684093052026 -0.000000000000119 -0.000602828358295 -0.000850373168457  0.000000000000006  0.000000000000001  0.000906031298222  0.000000000000025 -0.000259442112309
    5  (  5)  0.000000000000206  0.007431850971177  0.000000000000118  0.000000000000059  0.001581490498986 -0.000062205663629 -0.000000000000119 -0.001973235877151  0.000000000000055
    6  (  6)  0.005575200036061 -0.000000000000434  0.016385946447271  0.005467017406595 -0.000000000000097 -0.000000000000035 -0.014999285914414  0.000000000000163  0.006914378453223

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

    0  (  0)  0.000000000000006 -0.000000000000003  0.000050198375752  0.000221116595060 -0.000104773374351 -0.000000000000004 -0.000633997000588 -0.000000000000004 -0.000000000000000
    1  (  1) -0.000950521715832  0.000452045546337  0.000000000000001 -0.000000000000002 -0.000000000000004  0.000110420134036  0.000000000000005 -0.000035163215012  0.000156284542636
    2  (  2) -0.000000000000020  0.000000000000002  0.000125461731088  0.000806608109862  0.001475528485021  0.000000000000035 -0.000596322110386  0.000000000000001  0.000000000000006
    3  (  3) -0.001991712397917  0.000769674329291 -0.000000000000006 -0.000000000000020  0.000000000000049 -0.001300538585966  0.000000000000010 -0.000089287725007 -0.001582451250344
    4  (  4) -0.000000000000005 -0.000000000000012 -0.000945938957437  0.000755292113772 -0.000746433193401 -0.000000000000022 -0.001931279572276 -0.000000000000001 -0.000000000000024
    5  (  5)  0.001094869559714  0.000368945903697  0.000000000000014  0.000000000000024  0.000000000000031 -0.001367019990994 -0.000000000000013 -0.000484256371546  0.001685683492100
    6  (  6) -0.000000000000250 -0.000000000000017  0.003291835654141  0.002387881489813 -0.000790848926694 -0.000000000000006 -0.000209895711463 -0.000000000000001 -0.000000000000015

                        27                 28     
                      ( 27)              ( 28)    

    0  (  0) -0.000069252902303  0.000000000000000
    1  (  1) -0.000000000000002 -0.000080647221105
    2  (  2)  0.000525220866717 -0.000000000000001
    3  (  3)  0.000000000000005  0.000138001181807
    4  (  4) -0.000357545556186  0.000000000000002
    5  (  5) -0.000000000000006 -0.000097639827335
    6  (  6)  0.001998561346376 -0.000000000000010

Final Energetic Summary for Converged Roots of Irrep A  
                     Excitation Energy              Total Energy
                (eV)     (cm^-1)     (au)             (au)
EOM State 1      6.899    55643.4   0.2535297844  -150.9203332881

Largest components of excited wave function #1:
	          6   1        -0.5371001544
	          6   2        -0.4161232139
	          6   4        -0.0504052372
	          4   1         0.0432106554
	          4   2         0.0408481539
	  3   4   1   2        -0.0440142604
	  4   3   2   1        -0.0440142604
	  3   4   2   2        -0.0381888683
	  4   3   2   2        -0.0381888683
	  4   5   2   2         0.0278627514

EOM State 2      6.989    56371.9   0.2568491274  -150.9170139451

Largest components of excited wave function #2:
	          6   0        -0.6760851866
	          6   3        -0.0627241967
	          5   1         0.0421605301
	          3   1        -0.0393662632
	          4   0         0.0330367357
	  3   4   0   2        -0.0461682463
	  4   3   2   0        -0.0461682463
	  2   6   0   0         0.0387833059
	  6   2   0   0         0.0387833059
	  4   5   2   0         0.0277128301


	Total # of sigma evaluations: 37
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:50 2008

user time   =       7.81 seconds =       0.13 minutes
system time =       1.61 seconds =       0.03 minutes
total time  =          9 seconds =       0.15 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:50 2008


			**************************
			*        CCLAMBDA        *
			**************************


	Nuclear Rep. energy (chkpt)   =   38.253971301900009
	Reference           (chkpt)   = 0
	SCF energy          (chkpt)   = -150.779183867918135
	Reference energy    (CC_INFO) = -150.779183867918334
	CCSD energy         (CC_INFO) =   -0.394679204608487
	Total CCSD energy   (CC_INFO) = -151.173863072526814

	Input parameters:
	-----------------
	Maxiter       =     150
	Convergence   = 1.0e-07
	Restart       =     Yes
	Cache Level   =     2
	Model III     =     No
	DIIS          =     Yes
	AO Basis      =     No
	ABCD            =     NEW
	Local CC        =     No
	Paramaters for left-handed eigenvectors:
	    Irr   Root  Ground-State?    EOM energy        R0
	  1   0     0        Yes       0.0000000000   1.0000000000
	  2   0     1         No       0.2535297844   0.0000000000
	  3   0     2         No       0.2568491274  -0.0030068139
	Labels for eigenvector 1:
	LIA 0 -1, Lia 0 -1, LIJAB 0 -1, Lijab 0 -1, LIjAb 0 -1, 2LIjAb - LIjbA 0 -1
	Labels for eigenvector 2:
	LIA 0 0, Lia 0 0, LIJAB 0 0, Lijab 0 0, LIjAb 0 0, 2LIjAb - LIjbA 0 0
	Labels for eigenvector 3:
	LIA 0 1, Lia 0 1, LIJAB 0 1, Lijab 0 1, LIjAb 0 1, 2LIjAb - LIjbA 0 1
Deleting old CC_LAMBDA data.
	Symmetry of left-hand state: A  
	Symmetry of left-hand eigenvector: A  

	          Solving Lambda Equations
	          ------------------------
	Iter     PseudoEnergy or Norm         RMS  
	----     ---------------------     --------
	   0        -0.394689315840010    0.000e+00
	   1        -0.387349355021930    8.454e-03
	   2        -0.386490828759823    2.123e-03
	   3        -0.386312112543730    7.359e-04
	   4        -0.386313444582219    2.602e-04
	   5        -0.386314844739529    1.090e-04
	   6        -0.386314207556080    3.710e-05
	   7        -0.386314801601167    1.256e-05
	   8        -0.386314840764571    4.684e-06
	   9        -0.386314789536853    1.966e-06
	  10        -0.386314785593269    6.899e-07
	  11        -0.386314785681309    2.194e-07
	  12        -0.386314788885639    7.065e-08

	Largest LIA Amplitudes:
	          3   1        -0.0081755270
	          4  15         0.0070085963
	          4   9         0.0069941909
	          5   1        -0.0069135293
	          4  20         0.0068936794
	          4   8         0.0057514789
	          2  17         0.0055703112
	          5   4        -0.0053757474
	          2   8         0.0053611527
	          3   6         0.0051475763

	Largest LIjAb Amplitudes:
	  4   4   2   2        -0.0651684389
	  4   4   1   2        -0.0321208172
	  4   4   2   1        -0.0321208172
	  2   4   2   2        -0.0299871908
	  4   2   2   2        -0.0299871908
	  2   2   2   2        -0.0299054292
	  6   6   6   6        -0.0223852757
	  6   6   2   2        -0.0208671955
	  2   2   3   3        -0.0208322104
	  4   4   1   1        -0.0191106659

	Iterations converged.

	Overlap <L|e^T> =        0.89177806951
	Symmetry of left-hand state: A  
	Symmetry of left-hand eigenvector: A  
	Initial overlap of initial guess <L|R> =    1.0000000000
	Checking overlap of initial guess <L|R> =    1.0000000000

	          Solving Lambda Equations
	          ------------------------
	Iter     PseudoEnergy or Norm         RMS  
	----     ---------------------     --------
	   0         1.000000000000000    7.065e-08
	   1         0.981945893036405    3.471e-02
	   2         0.984750750170478    8.698e-03
	   3         0.984982660682305    3.077e-03
	   4         0.985277220211050    1.825e-03
	   5         0.985644861437574    1.203e-03
	   6         0.985977799737889    7.950e-04
	   7         0.986202916768248    3.851e-04
	   8         0.986286254972844    1.612e-04
	   9         0.986316546100981    8.627e-05
	  10         0.986333123419825    5.618e-05
	  11         0.986335158871689    3.754e-05
	  12         0.986340950536357    2.277e-05
	  13         0.986340507302680    1.110e-05
	  14         0.986341400066767    4.546e-06
	  15         0.986341216379781    2.134e-06
	  16         0.986341041880101    1.086e-06
	  17         0.986340926749891    5.185e-07
	  18         0.986340896130955    1.894e-07
	  19         0.986340895471358    7.859e-08

	Initial  <L|R>  =        0.9853880463
	Normalizing L...
	L0 * R0 =        0.0000000000
	L1 * R1 =        0.9388634140
	L2 * R2 =        0.0611365860
	 <L|R>  =        1.0000000000
	Pseudoenergy or Norm of normalized L =    1.000966978574018

	Largest LIA Amplitudes:
	          6   1        -0.5382212030
	          6   2        -0.4079055603
	          6   4        -0.0484882125
	          4   1         0.0438525465
	          4   2         0.0405011172
	          6   6         0.0304210924
	          6  10         0.0297977590
	          5   0         0.0240921588
	          6   7        -0.0210832436
	          3   0        -0.0187800428

	Largest LIjAb Amplitudes:
	  3   4   1   2        -0.0516526667
	  4   3   2   1        -0.0516526667
	  3   4   2   2        -0.0416511616
	  4   3   2   2        -0.0416511616
	  4   5   2   1         0.0325083667
	  5   4   1   2         0.0325083667
	  4   5   2   2         0.0300400372
	  5   4   2   2         0.0300400372
	  3   4   2   1        -0.0291605956
	  4   3   1   2        -0.0291605956

	Iterations converged.

	Symmetry of left-hand state: A  
	Symmetry of left-hand eigenvector: A  
	Initial overlap of initial guess <L|R> =    0.9999816129
	Checking overlap of initial guess <L|R> =    1.0000000000

	          Solving Lambda Equations
	          ------------------------
	Iter     PseudoEnergy or Norm         RMS  
	----     ---------------------     --------
	   0         0.000306025807207    7.859e-08
	   1        -0.000394699458191    5.146e-02
	   2        -0.000407791108833    1.322e-02
	   3        -0.000417622817866    2.783e-03
	   4        -0.000412691217447    1.313e-03
	   5        -0.000406622308091    6.286e-04
	   6        -0.000404674085791    3.405e-04
	   7        -0.000406027206078    1.578e-04
	   8        -0.000406502761906    8.697e-05
	   9        -0.000406745629654    5.812e-05
	  10        -0.000406597514292    4.539e-05
	  11        -0.000406270475028    2.949e-05
	  12        -0.000406020597060    1.487e-05
	  13        -0.000405878264374    6.843e-06
	  14        -0.000405812868383    3.065e-06
	  15        -0.000405780211328    1.402e-06
	  16        -0.000405764634577    7.035e-07
	  17        -0.000405756436828    3.699e-07
	  18        -0.000405753701783    1.492e-07
	  19        -0.000405753682530    6.109e-08

	Initial  <L|R>  =        0.9742578087
	Normalizing L...
	L0 * R0 =       -0.0000000000
	L1 * R1 =        0.9289287149
	L2 * R2 =        0.0710712851
	 <L|R>  =        1.0000000000
	Pseudoenergy or Norm of normalized L =   -0.000416474652719

	Largest LIA Amplitudes:
	          6   0        -0.6694430464
	          6   3        -0.0598424643
	          5   1         0.0427232722
	          3   1        -0.0410009055
	          4   0         0.0338977546
	          3   2         0.0323514836
	          5   2        -0.0266074367
	          6   5        -0.0191569929
	          6  11         0.0155137786
	          2   0        -0.0154257316

	Largest LIjAb Amplitudes:
	  3   4   0   2        -0.0565913385
	  4   3   2   0        -0.0565913385
	  2   6   0   0         0.0414095504
	  6   2   0   0         0.0414095504
	  4   5   2   0         0.0349756911
	  5   4   0   2         0.0349756911
	  2   3   2   0        -0.0312874632
	  3   2   0   2        -0.0312874632
	  6   6   0   9        -0.0282412758
	  6   6   9   0        -0.0282412758

	Iterations converged.

	<L|R> overlap matrix with ROHF quantities (-99 => 0 by symmetry)

           1           2           3

    1   1.0000000   0.0000000  -0.0000000
    2   0.0000000   1.0000000   0.0000000
    3   0.0000000  -0.0000000   1.0000000
	<L|R> overlap matrix with RHF quantities (-99 => 0 by symmetry)

           1           2           3

    1   1.0000000  -0.0000000  -0.0000000
    2   0.0000000   1.0000000   0.0000000
    3   0.0000000  -0.0000000   1.0000000

	Projections for excited state, irrep A  , root 0:
	<0|Le^(-T)|0><0|Re^T|0>  =    0.0000000000
	<0|Le^(-T)|S><S|Re^T|0>  =    0.9381468681
	<0|Le^(-T)|D><D|Re^T|0>  =    0.0618531319
	Sum of above             =    1.0000000000
	Approx. excitation level =    1.0618531319

	Projections for excited state, irrep A  , root 1:
	<0|Le^(-T)|0><0|Re^T|0>  =    0.0000088377
	<0|Le^(-T)|S><S|Re^T|0>  =    0.9298582119
	<0|Le^(-T)|D><D|Re^T|0>  =    0.0701329504
	Sum of above             =    1.0000000000
	Approx. excitation level =    1.0701241128
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:00 2008

user time   =       8.59 seconds =       0.14 minutes
system time =       1.36 seconds =       0.02 minutes
total time  =         10 seconds =       0.17 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:01 2008


			**************************
			*                        *
			*        CCDENSITY       *
			*                        *
			**************************


	Nuclear Rep. energy (chkpt)   =   38.253971301900009
	SCF energy          (chkpt)   = -150.779183867918135
	Reference energy    (file100) = -150.779183867918334
	CCSD energy         (CC_INFO) =   -0.394679204608487
	Total CCSD energy   (CC_INFO) = -151.173863072526814

	Input parameters:
	-----------------
	Tolerance        = 1.0e-14
	Cache Level      = 2
	AO Basis         = No
	OPDM Only        = Yes
	Relax OPDM       = No
	Compute Xi       = No
	Use Zeta         = No
	Xi connected     = No
	Number of States = 3

	Ground?  State     EOM Energy       R0
	  Yes     0A      0.0000000000   1.00000000
	   No     1A      0.2535297844   0.00000000
	   No     2A      0.2568491274  -0.00300681

	Oscillator Strength for 1A  
	                              X    	       Y    	       Z
	<0|mu_e|n>              -0.06007430 	 -0.00000000 	 -0.08584607
	<n|mu_e|0>              -0.06111265 	  0.00000000 	 -0.09077396
	Dipole Strength          0.01146389 
	Oscillator Strength      0.00193762 

	Length-Gauge Rotational Strength for 1A  
	                              X    	       Y    	       Z
	<0|mu_e|n>              -0.06007430 	 -0.00000000 	 -0.08584607
	<n|mu_m|0>              -0.04110911 	 -0.00000000 	  0.08583942
	<0|mu_m|n>*             -0.03814321 	 -0.00000000 	  0.08146885
	<n|mu_e|0>*             -0.06111265 	  0.00000000 	 -0.09077396

	Rotational Strength (au)                 -0.00498180
	Rotational Strength (10^-40 esu^2 cm^2)  -2.34863590

	Velocity-Gauge Rotational Strength for 1A  
	                              X    	       Y    	       Z
	<0|mu_e|n>              -0.00995382 	  0.00000000 	 -0.08851253
	<n|mu_m|0>              -0.04110911 	 -0.00000000 	  0.08583942
	<0|mu_m|n>*             -0.03814321 	 -0.00000000 	  0.08146885
	<n|mu_e|0>*             -0.00925794 	  0.00000000 	 -0.09076635

	Rotational Strength (au)                 -0.02806411
	Rotational Strength (10^-40 esu^2 cm^2)  -13.23064187

	Oscillator Strength for 2A  
	                              X    	       Y    	       Z
	<0|mu_e|n>               0.00000000 	  0.00801615 	  0.00000000
	<n|mu_e|0>               0.00000000 	  0.00688192 	  0.00000000
	Dipole Strength          0.00005517 
	Oscillator Strength      0.00000945 

	Length-Gauge Rotational Strength for 2A  
	                              X    	       Y    	       Z
	<0|mu_e|n>               0.00000000 	  0.00801615 	  0.00000000
	<n|mu_m|0>               0.00000000 	 -0.31726639 	 -0.00000000
	<0|mu_m|n>*              0.00000000 	 -0.31139717 	 -0.00000000
	<n|mu_e|0>*              0.00000000 	  0.00688192 	  0.00000000

	Rotational Strength (au)                 -0.00234313
	Rotational Strength (10^-40 esu^2 cm^2)  -1.10465512

	Velocity-Gauge Rotational Strength for 2A  
	                              X    	       Y    	       Z
	<0|mu_e|n>               0.00000000 	  0.01578027 	  0.00000000
	<n|mu_m|0>               0.00000000 	 -0.31726639 	 -0.00000000
	<0|mu_m|n>*              0.00000000 	 -0.31139717 	 -0.00000000
	<n|mu_e|0>*              0.00000000 	  0.01449682 	  0.00000000

	Rotational Strength (au)                 -0.01853388
	Rotational Strength (10^-40 esu^2 cm^2)  -8.73767565

	                   Excitation Energy          OS       RS        RS
	State   (eV)    (cm^-1)    (nm)     (au)              (l,au)   (v,au)
	 1A     6.899   55643.4   179.7   0.253530   0.0019  -0.0050  -0.0281
	 2A     6.989   56371.9   177.4   0.256849   0.0000  -0.0023  -0.0185

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:02 2008

user time   =       0.61 seconds =       0.01 minutes
system time =       0.23 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:02 2008

    **********************************************
    *                    OEPROP                  *
    *          A simple property program         *
    *              by a big TOOL fan             *
    **********************************************


  TASKS to be performed :
    $One-particle density in MO basis in SQUARE form will be read from file73.
    $Only electric dipole moment will be computed.
    $Reference point for the electric multipole moments calculation is 
      the center of mass.
    $Reference point for the electric angular momentum calculation is 
      at (0.000000 0.000000 0.000000)
    $Electrostatic properties at the nuclei will be evaluated.

  Title : 'H2O2 EOM CCSD cc-pVDZ'

  List of PARAMETERS :
    # of atoms                 =      4
    # of molecular orbitals    =     38
    # of basis functions       =     38
    # of atomic orbitals       =     40
    # of irreps                =      1
    Total charge               =      0
    # of unique shells         =     18
    # of primitives            =     62
    Print level                =      1

  List of GRID PARAMETERS :
    GRID_ORIGIN                =	(  0.00000  0.00000  0.00000 )
    GRID_STEP_X                =	(  0.00000  0.00000  0.00000 )
    GRID_STEP_Y                =	(  0.00000  0.00000  0.00000 )
    NIX                        =	  11
    NIY                        =	  11
    GRID_ZMIN                  =	   0.00000
    GRID_ZMAX                  =	   3.00000

	Densities available up to root 3
	** Analyzing density number 1 **
 --------------------------------------------------------------
   ** Mulliken population analysis of one-particle density **
 --------------------------------------------------------------

 -Gross orbital populations :

  Center   AO          L          Q(AO)
  ------  ----        ---      -----------
     1      1          0        2.00102393
     1      2          0        1.85155832
     1      3          0       -0.10201601
     1      4          1        1.10072678
     1      5          1        1.56905454
     1      6          1        1.80663553
     1      7          1       -0.08411821
     1      8          1       -0.08507061
     1      9          1        0.04720740
     1     10          2        0.01795378
     1     11          2        0.00688926
     1     12          2        0.00718640
     1     13          2        0.00403452
     1     14          2        0.00684125
     1     15          2       -0.00062713
     2     16          0        2.00102393
     2     17          0        1.85155832
     2     18          0       -0.10201601
     2     19          1        1.10072678
     2     20          1        1.56905454
     2     21          1        1.80663553
     2     22          1       -0.08411821
     2     23          1       -0.08507061
     2     24          1        0.04720740
     2     25          2        0.01795378
     2     26          2        0.00688926
     2     27          2        0.00718640
     2     28          2        0.00403452
     2     29          2        0.00684125
     2     30          2       -0.00062713
     3     31          0        1.09597416
     3     32          0       -0.32797719
     3     33          1        0.01446685
     3     34          1        0.03959026
     3     35          1        0.03066617
     4     36          0        1.09597416
     4     37          0       -0.32797719
     4     38          1        0.01446685
     4     39          1        0.03959026
     4     40          1        0.03066617


 -Atomic bond populations :

           1           2           3           4

    1   8.0304184   0.0841445   0.3341012  -0.0284604
    2   0.0841445   8.0304184  -0.0284604   0.3341012
    3   0.3341012  -0.0284604   1.0133039  -0.0071816
    4  -0.0284604   0.3341012  -0.0071816   1.0133039


 -Gross atomic populations and net charges :

    Center    Atomic Population    Net Charge
    ------    -----------------    ----------
       1            8.147280        -0.147280
       2            8.147280        -0.147280
       3            0.852720        +0.147280
       4            0.852720        +0.147280


 --------------------------------------------------------------
                *** Electric multipole moments ***
 --------------------------------------------------------------

 -Coordinates of the reference point (a.u.) :
           x                     y                     z
  --------------------  --------------------  --------------------
          0.0000000000          0.0000000000          0.0000000000

 -Electric dipole moment (expectation values) :

    mu(X)  =  -0.00000 D  =  -1.13248570e-45 C*m  =  -0.00000000 a.u.
    mu(Y)  =   2.88661 D  =   9.62869586e-30 C*m  =   1.13567933 a.u.
    mu(Z)  =   0.00000 D  =   3.51166167e-43 C*m  =   0.00000000 a.u.
    |mu|   =   2.88661 D  =   9.62869586e-30 C*m  =   1.13567933 a.u.


 --------------------------------------------------------------
              *** Electronic angular momentum ***
 --------------------------------------------------------------

 -Coordinates of the reference point (a.u.) :
           x                     y                     z
  --------------------  --------------------  --------------------
         -0.0000000000         -0.0000000000         -0.0000000000

 -Electronic angular momentum (expectation values) :

    Lx  =   0.00000000 a.u.
    Ly  =   0.00000000 a.u.
    Lz  =   0.00000000 a.u.


 --------------------------------------------------------------
      *** Electrostatic  properties at atomic centers ***
 --------------------------------------------------------------

 -Coordinates of atomic centers (a.u.):
    #   Charge           x                     y                     z
   ---  ------  --------------------  --------------------  --------------------
    1      8           -1.3122186961         -0.0932359626         -0.0547305480
    2      8            1.3122186961         -0.0932359626          0.0547305480
    3      1           -1.7208707064          1.4797223859          0.6623454552
    4      1            1.7208707064          1.4797223859         -0.6623454552


 -Electrostatic potential and electric field (a.u.) :

    Center         phi            Ex             Ey           Ez
    ------    ------------   ------------  ------------  ------------
       1      -22.28484403    -0.08488815   -0.08323348   -0.03950519
       2      -22.28484403     0.08488815   -0.08323348    0.03950519
       3       -0.97530268    -0.02149765    0.04730016    0.02902486
       4       -0.97530268     0.02149765    0.04730016   -0.02902486


 -Electric field gradient (regular form) (a.u.):

    Center           XX                    YY                    ZZ
    ------  --------------------  --------------------  --------------------
       1          -1248.86087644        -1246.19348137        -1244.27937851
       2          -1248.86087644        -1246.19348137        -1244.27937851
       3             -1.47015118           -2.01272287           -1.45300453
       4             -1.47015118           -2.01272287           -1.45300453

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.55147214            0.12512622           -0.86014948
       2             -0.55147214            0.12512622            0.87125780
       3              0.16594442            0.07868624            1.75836916
       4             -0.16594442            0.07868624           -0.74721687


 -Electric field gradient (traceless tensor form) (a.u.):

    Center        XX - RR/3             YY - RR/3             ZZ - RR/3
    ------  --------------------  --------------------  --------------------
       1             -2.41629767            0.25109740            2.16520027
       2             -2.41629767            0.25109740            2.16520027
       3              0.17514168           -0.36743001            0.19228833
       4              0.17514168           -0.36743001            0.19228833

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.55147214            0.12512622           -0.86014948
       2             -0.55147214            0.12512622            0.87125780
       3              0.16594442            0.07868624            1.75836916
       4             -0.16594442            0.07868624           -0.74721687


 -Electron density (a.u.):

    Center           rho
    ------  --------------------
       1            297.56672400
       2            297.56672400
       3              0.39278474
       4              0.39278474


 --------------------------------------------------------------
                *** Miscellaneous properties ***
 --------------------------------------------------------------

 -Relativistic MVD one-electron corrections to the energy (a.u.):

    Mass-velocity (p^4) term     :   -0.501672872090654
    One-electron Darwin term     :   0.398314939195562
    Total one-electron MVD terms :   -0.103357932895092

	** Analyzing density number 2 **
 --------------------------------------------------------------
   ** Mulliken population analysis of one-particle density **
 --------------------------------------------------------------

 -Gross orbital populations :

  Center   AO          L          Q(AO)
  ------  ----        ---      -----------
     1      1          0        2.00102300
     1      2          0        1.90841531
     1      3          0       -0.13251557
     1      4          1        1.39474945
     1      5          1        1.57816755
     1      6          1        1.39590493
     1      7          1       -0.03761833
     1      8          1       -0.10012378
     1      9          1        0.02336547
     1     10          2        0.01197644
     1     11          2        0.00416647
     1     12          2        0.00512049
     1     13          2        0.00473333
     1     14          2        0.00316755
     1     15          2       -0.00058481
     2     16          0        2.00102300
     2     17          0        1.90841531
     2     18          0       -0.13251557
     2     19          1        1.39474945
     2     20          1        1.57816755
     2     21          1        1.39590493
     2     22          1       -0.03761833
     2     23          1       -0.10012378
     2     24          1        0.02336547
     2     25          2        0.01197644
     2     26          2        0.00416647
     2     27          2        0.00512049
     2     28          2        0.00473333
     2     29          2        0.00316755
     2     30          2       -0.00058481
     3     31          0        1.06881622
     3     32          0       -0.21288661
     3     33          1        0.02230622
     3     34          1        0.03869327
     3     35          1        0.02312339
     4     36          0        1.06881622
     4     37          0       -0.21288661
     4     38          1        0.02230622
     4     39          1        0.03869327
     4     40          1        0.02312339


 -Atomic bond populations :

           1           2           3           4

    1   8.3750844  -0.6073452   0.1283378   0.1629062
    2  -0.6073452   8.3750844   0.1629062   0.1283378
    3   0.1283378   0.1629062   1.1500440  -0.1106318
    4   0.1629062   0.1283378  -0.1106318   1.1500440


 -Gross atomic populations and net charges :

    Center    Atomic Population    Net Charge
    ------    -----------------    ----------
       1            8.059948        -0.059948
       2            8.059948        -0.059948
       3            0.940052        +0.059948
       4            0.940052        +0.059948


 --------------------------------------------------------------
                *** Electric multipole moments ***
 --------------------------------------------------------------

 -Coordinates of the reference point (a.u.) :
           x                     y                     z
  --------------------  --------------------  --------------------
         -0.0000000000          0.0000000000          0.0000000000

 -Electric dipole moment (expectation values) :

    mu(X)  =   0.00000 D  =   1.41662783e-41 C*m  =   0.00000000 a.u.
    mu(Y)  =   2.19999 D  =   7.33838137e-30 C*m  =   0.86554277 a.u.
    mu(Z)  =  -0.00000 D  =  -5.55000356e-42 C*m  =  -0.00000000 a.u.
    |mu|   =   2.19999 D  =   7.33838137e-30 C*m  =   0.86554277 a.u.


 --------------------------------------------------------------
              *** Electronic angular momentum ***
 --------------------------------------------------------------

 -Coordinates of the reference point (a.u.) :
           x                     y                     z
  --------------------  --------------------  --------------------
         -0.0000000000         -0.0000000000         -0.0000000000

 -Electronic angular momentum (expectation values) :

    Lx  =   0.00000000 a.u.
    Ly  =   0.00000000 a.u.
    Lz  =   0.00000000 a.u.


 --------------------------------------------------------------
      *** Electrostatic  properties at atomic centers ***
 --------------------------------------------------------------

 -Coordinates of atomic centers (a.u.):
    #   Charge           x                     y                     z
   ---  ------  --------------------  --------------------  --------------------
    1      8           -1.3122186961         -0.0932359626         -0.0547305480
    2      8            1.3122186961         -0.0932359626          0.0547305480
    3      1           -1.7208707064          1.4797223859          0.6623454552
    4      1            1.7208707064          1.4797223859         -0.6623454552


 -Electrostatic potential and electric field (a.u.) :

    Center         phi            Ex             Ey           Ez
    ------    ------------   ------------  ------------  ------------
       1      -22.28528852    -0.04169373   -0.07547763   -0.01207279
       2      -22.28528852     0.04169373   -0.07547763    0.01207279
       3       -0.95196860    -0.03334313    0.05696732    0.01022022
       4       -0.95196860     0.03334313    0.05696732   -0.01022022


 -Electric field gradient (regular form) (a.u.):

    Center           XX                    YY                    ZZ
    ------  --------------------  --------------------  --------------------
       1          -1250.45224883        -1249.88297886        -1250.60066102
       2          -1250.45224883        -1249.88297886        -1250.60066102
       3             -1.33482807           -1.95841775           -1.40546500
       4             -1.33482807           -1.95841775           -1.40546500

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.92959858            0.29715294           -0.21920482
       2             -0.92959858            0.29715294            0.23031314
       3              0.14622275            0.06483856            1.79792528
       4             -0.14622275            0.06483856           -0.78677299


 -Electric field gradient (traceless tensor form) (a.u.):

    Center        XX - RR/3             YY - RR/3             ZZ - RR/3
    ------  --------------------  --------------------  --------------------
       1             -0.14028593            0.42898404           -0.28869812
       2             -0.14028593            0.42898404           -0.28869812
       3              0.23140887           -0.39218081            0.16077194
       4              0.23140887           -0.39218081            0.16077194

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.92959858            0.29715294           -0.21920482
       2             -0.92959858            0.29715294            0.23031314
       3              0.14622275            0.06483856            1.79792528
       4             -0.14622275            0.06483856           -0.78677299


 -Electron density (a.u.):

    Center           rho
    ------  --------------------
       1            298.48999395
       2            298.48999395
       3              0.37391153
       4              0.37391153


 --------------------------------------------------------------
                *** Miscellaneous properties ***
 --------------------------------------------------------------

 -Relativistic MVD one-electron corrections to the energy (a.u.):

    Mass-velocity (p^4) term     :   -0.503470158875997
    One-electron Darwin term     :   0.399547442651663
    Total one-electron MVD terms :   -0.103922716224335

	** Analyzing density number 3 **
 --------------------------------------------------------------
   ** Mulliken population analysis of one-particle density **
 --------------------------------------------------------------

 -Gross orbital populations :

  Center   AO          L          Q(AO)
  ------  ----        ---      -----------
     1      1          0        2.00101680
     1      2          0        1.95184713
     1      3          0       -0.21693918
     1      4          1        1.13470167
     1      5          1        1.70512036
     1      6          1        1.47017855
     1      7          1       -0.11529088
     1      8          1       -0.15433401
     1      9          1       -0.03246738
     1     10          2        0.01649356
     1     11          2        0.00381544
     1     12          2        0.00442929
     1     13          2        0.00170602
     1     14          2        0.00267632
     1     15          2       -0.00260557
     2     16          0        2.00101680
     2     17          0        1.95184713
     2     18          0       -0.21693918
     2     19          1        1.13470167
     2     20          1        1.70512036
     2     21          1        1.47017855
     2     22          1       -0.11529088
     2     23          1       -0.15433401
     2     24          1       -0.03246738
     2     25          2        0.01649356
     2     26          2        0.00381544
     2     27          2        0.00442929
     2     28          2        0.00170602
     2     29          2        0.00267632
     2     30          2       -0.00260557
     3     31          0        1.03957630
     3     32          0        0.11159323
     3     33          1        0.01052958
     3     34          1        0.04750343
     3     35          1        0.02044933
     4     36          0        1.03957630
     4     37          0        0.11159323
     4     38          1        0.01052958
     4     39          1        0.04750343
     4     40          1        0.02044933


 -Atomic bond populations :

           1           2           3           4

    1   8.1212953   0.2499071  -0.1380521  -0.1720059
    2   0.2499071   8.1212953  -0.1720059  -0.1380521
    3  -0.1380521  -0.1720059   1.4819646   0.3103397
    4  -0.1720059  -0.1380521   0.3103397   1.4819646


 -Gross atomic populations and net charges :

    Center    Atomic Population    Net Charge
    ------    -----------------    ----------
       1            7.770348        +0.229652
       2            7.770348        +0.229652
       3            1.229652        -0.229652
       4            1.229652        -0.229652


 --------------------------------------------------------------
                *** Electric multipole moments ***
 --------------------------------------------------------------

 -Coordinates of the reference point (a.u.) :
           x                     y                     z
  --------------------  --------------------  --------------------
         -0.0000000000          0.0000000000          0.0000000000

 -Electric dipole moment (expectation values) :

    mu(X)  =  -0.00000 D  =  -8.94742389e-42 C*m  =  -0.00000000 a.u.
    mu(Y)  =  -0.97497 D  =  -3.25214630e-30 C*m  =  -0.38358210 a.u.
    mu(Z)  =   0.00000 D  =   4.25647876e-42 C*m  =   0.00000000 a.u.
    |mu|   =   0.97497 D  =   3.25214630e-30 C*m  =   0.38358210 a.u.


 --------------------------------------------------------------
              *** Electronic angular momentum ***
 --------------------------------------------------------------

 -Coordinates of the reference point (a.u.) :
           x                     y                     z
  --------------------  --------------------  --------------------
         -0.0000000000         -0.0000000000         -0.0000000000

 -Electronic angular momentum (expectation values) :

    Lx  =   0.00000000 a.u.
    Ly  =   0.00000000 a.u.
    Lz  =   0.00000000 a.u.


 --------------------------------------------------------------
      *** Electrostatic  properties at atomic centers ***
 --------------------------------------------------------------

 -Coordinates of atomic centers (a.u.):
    #   Charge           x                     y                     z
   ---  ------  --------------------  --------------------  --------------------
    1      8           -1.3122186961         -0.0932359626         -0.0547305480
    2      8            1.3122186961         -0.0932359626          0.0547305480
    3      1           -1.7208707064          1.4797223859          0.6623454552
    4      1            1.7208707064          1.4797223859         -0.6623454552


 -Electrostatic potential and electric field (a.u.) :

    Center         phi            Ex             Ey           Ez
    ------    ------------   ------------  ------------  ------------
       1      -22.14192079    -0.07826723   -0.06908185   -0.01339166
       2      -22.14192079     0.07826723   -0.06908185    0.01339166
       3       -0.89857860    -0.02513051    0.12596588    0.03169101
       4       -0.89857860     0.02513051    0.12596588   -0.03169101


 -Electric field gradient (regular form) (a.u.):

    Center           XX                    YY                    ZZ
    ------  --------------------  --------------------  --------------------
       1          -1251.38363655        -1247.81431979        -1248.99173368
       2          -1251.38363655        -1247.81431979        -1248.99173368
       3             -1.28012660           -1.76627710           -1.28051367
       4             -1.28012660           -1.76627710           -1.28051367

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.45542997           -0.17566988           -0.07307577
       2             -0.45542997           -0.17566988            0.08418410
       3              0.16522624            0.06548373            1.81934851
       4             -0.16522624            0.06548373           -0.80819622


 -Electric field gradient (traceless tensor form) (a.u.):

    Center        XX - RR/3             YY - RR/3             ZZ - RR/3
    ------  --------------------  --------------------  --------------------
       1             -1.98707321            1.58224355            0.40482966
       2             -1.98707321            1.58224355            0.40482966
       3              0.16217919           -0.32397131            0.16179212
       4              0.16217919           -0.32397131            0.16179212

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.45542997           -0.17566988           -0.07307577
       2             -0.45542997           -0.17566988            0.08418410
       3              0.16522624            0.06548373            1.81934851
       4             -0.16522624            0.06548373           -0.80819622


 -Electron density (a.u.):

    Center           rho
    ------  --------------------
       1            298.27145841
       2            298.27145841
       3              0.34432514
       4              0.34432514


 --------------------------------------------------------------
                *** Miscellaneous properties ***
 --------------------------------------------------------------

 -Relativistic MVD one-electron corrections to the energy (a.u.):

    Mass-velocity (p^4) term     :   -0.502933090079437
    One-electron Darwin term     :   0.399250015384328
    Total one-electron MVD terms :   -0.103683074695109

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:37:02 2008

user time   =       0.09 seconds =       0.00 minutes
system time =       0.00 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes

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

PSI3 stopped on augustus.chemistry.gatech.edu at Wed Mar 12 18:37:03 2008

Total PSI3 wall time         30 seconds =       0.50 minutes
******************************************************************************