******************************************************************************
PSI3 started on augustus.chemistry.gatech.edu at Wed Mar 12 18:36:20 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_CC2 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 18:36:20 2008

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

  LABEL       =	H2O2 EOM CC2 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 18:36:21 2008

user time   =       0.03 seconds =       0.00 minutes
system time =       0.01 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:21 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 CC2 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 18:36:21 2008

user time   =       0.52 seconds =       0.01 minutes
system time =       0.02 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:21 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 CC2 cc-pVDZ
  wfn          = EOM_CC2
  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
******************************************************************************
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Wed Mar 12 18:36:21 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 18:36:21 2008


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


	Input parameters:
	-----------------
	Wave function   =	EOM_CC2
	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 18:36:22 2008

user time   =       0.51 seconds =       0.01 minutes
system time =       0.11 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
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Wed Mar 12 18:36:22 2008


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


	Input parameters:
	-----------------
	Wave function   =	EOM_CC2
	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: B(+) <ab|cd> nbuckets = 1
	Sorting File: C <ia|jb> nbuckets = 1
	Sorting File: D <ij|ab> nbuckets = 1
	Sorting File: E <ai|jk> nbuckets = 1
	Sorting File: F <ia|bc> nbuckets = 1
	Sorting File: F <ai|bc> nbuckets = 1
	One-electron energy          =   -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 18:36:23 2008

user time   =       0.11 seconds =       0.00 minutes
system time =       0.16 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:23 2008

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

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

	Input parameters:
	-----------------
	Wave function   =    EOM_CC2
	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        -0.380254789930148    2.350e-02    0.006281    0.014957    0.014957
     2        -0.382926525422723    6.976e-03    0.007604    0.017580    0.017580
     3        -0.383312053054135    2.742e-03    0.008393    0.018848    0.018848
     4        -0.383283481359912    9.595e-04    0.008568    0.018859    0.018859
     5        -0.383286611150349    3.462e-04    0.008637    0.018841    0.018841
     6        -0.383290091556852    9.323e-05    0.008642    0.018836    0.018836
     7        -0.383289918218469    3.248e-05    0.008643    0.018835    0.018835
     8        -0.383289779430889    1.255e-05    0.008643    0.018835    0.018835
     9        -0.383289809316370    3.458e-06    0.008643    0.018835    0.018835
    10        -0.383289812292833    1.544e-06    0.008643    0.018835    0.018835
    11        -0.383289822343420    4.659e-07    0.008643    0.018835    0.018835
    12        -0.383289826379399    1.935e-07    0.008643    0.018835    0.018835
    13        -0.383289826852621    7.060e-08    0.008643    0.018835    0.018835

	Iterations converged.


	Largest TIA Amplitudes:
	          3   1        -0.0109554439
	          5   1        -0.0098594039
	          4  15         0.0085098671
	          4  20         0.0082148264
	          4   9         0.0076053308
	          3   6         0.0075277191
	          2   0         0.0069350369
	          2  17         0.0069268896
	          2   8         0.0063772895
	          4   8         0.0057368762

	Largest TIjAb Amplitudes:
	  4   4   2   2        -0.0557781482
	  2   2   2   2        -0.0278636302
	  2   4   2   2        -0.0272969950
	  4   2   2   2        -0.0272969950
	  4   4   1   2        -0.0270427198
	  4   4   2   1        -0.0270427198
	  6   6   6   6        -0.0218529028
	  4   6   2   6         0.0214876755
	  6   4   6   2         0.0214876755
	  4   5   2   5        -0.0208245639

	SCF energy       (chkpt)   = -150.779183867918135
	Reference energy (file100) = -150.779183867918334
	MP2 correlation energy     =   -0.380256292639727
      * MP2 total energy           = -151.159440160558063
	CC2 correlation energy     =   -0.383289826852621
      * CC2 total energy           = -151.162473694770966

******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:25 2008

user time   =       1.37 seconds =       0.02 minutes
system time =       0.66 seconds =       0.01 minutes
total time  =          2 seconds =       0.03 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:25 2008


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

******************************************************************************
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user time   =       0.16 seconds =       0.00 minutes
system time =       0.12 seconds =       0.00 minutes
total time  =          0 seconds =       0.00 minutes
******************************************************************************
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Wed Mar 12 18:36:25 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
	CC2 energy          (file100) =   -0.383289826852621

	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  161.9378591038
Fmi   dot Fmi   total    6.2584670700
Fme   dot Fme   total    0.0000109623
WMBIJ dot WMBIJ total    0.0000000000
Wmbij dot Wmbij total    0.0000000000
WMbIj dot WMbIj total    0.0000000000
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...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) -0.000000000000027  0.004180058148788  0.001515810652506 -0.000000000000048  0.002106439460543  0.000000000000005 -0.000742420631029 -0.000870912198180 -0.000000000000039
    1  (  1) -0.000730543298124 -0.000000000000013  0.000000000000013 -0.001071637407158 -0.000000000000033  0.001084425908474  0.000000000000014  0.000000000000053 -0.000792840113557
    2  (  2)  0.000000000000126 -0.004348803882017 -0.003897454468818  0.000000000000055 -0.000888566525685  0.000000000000076  0.000617912878387 -0.003890847281931 -0.000000000000148
    3  (  3) -0.030142352183580  0.000000000003537  0.000000000002514  0.002015810963568  0.000000000000451 -0.007091858546861 -0.000000000000087  0.000000000000319 -0.008277112354565
    4  (  4) -0.000000000000830  0.043643333444894  0.039334009501218 -0.000000000000178  0.007083029947570 -0.000000000000263 -0.008030035934243  0.002695802999587 -0.000000000000042
    5  (  5)  0.042460086941069 -0.000000000004823 -0.000000000003638  0.000382687422327 -0.000000000000476  0.010569136142174  0.000000000000113 -0.000000000000270  0.007347033789944
    6  (  6)  0.000000000004606 -0.538362347107548 -0.443866618718367  0.000000000001370 -0.047685351661031  0.000000000000584  0.032800402747320 -0.022547893892735 -0.000000000000712

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

    0  (  0)  0.000000000000009 -0.000224834048796  0.000000000000007  0.000000000000007 -0.000251239032701 -0.001322217668595 -0.000000000000008 -0.000561797440190  0.000000000000003
    1  (  1)  0.001487838303599 -0.000000000000016  0.000902597719419  0.001752062706691 -0.000000000000024  0.000000000000005 -0.000498102980965  0.000000000000007  0.000207569876964
    2  (  2) -0.000000000000061 -0.002410526265638  0.000000000000028 -0.000000000000161 -0.005599392116306 -0.001106483107660  0.000000000000001  0.002131250619810 -0.000000000000010
    3  (  3) -0.010386467623685  0.000000000000142  0.004678469801751 -0.004799927822136  0.000000000000142  0.000000000000040 -0.019382284259588  0.000000000000010 -0.005513069080517
    4  (  4) -0.000000000000168 -0.004236523245083  0.000000000000045  0.000000000000007 -0.000439437287653 -0.002645170401273 -0.000000000000202 -0.001510060724036 -0.000000000000077
    5  (  5)  0.008541099492277  0.000000000000004 -0.000706560306214 -0.002244134572597  0.000000000000018 -0.000000000000055  0.013140054533791  0.000000000000055  0.003997321480858
    6  (  6)  0.000000000000235  0.031792108256358 -0.000000000000078 -0.000000000000118 -0.002733176321046 -0.006001101493036 -0.000000000000186  0.016238511607035 -0.000000000000211

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

    0  (  0)  0.000001242430474  0.002999199759949  0.000000000000001  0.000000000000005 -0.000000000000000 -0.000056849382903 -0.000000000000012 -0.000425189456101 -0.000144962523128
    1  (  1)  0.000000000000002 -0.000000000000029 -0.000132593909068  0.000958125144346  0.000422646365392  0.000000000000013 -0.002398842193416 -0.000000000000007  0.000000000000002
    2  (  2)  0.000160912906249  0.003264444787989 -0.000000000000019  0.000000000000002 -0.000000000000188  0.004327937875235 -0.000000000000008  0.000156851561992 -0.001833938652383
    3  (  3)  0.000000000000147 -0.000000000000045 -0.012059543521643 -0.000787004392584 -0.004724182365089 -0.000000000000149 -0.000222100493262 -0.000000000000022  0.000000000000077
    4  (  4) -0.001677264557988  0.008580396408081 -0.000000000000086 -0.000000000000016  0.000000000000061 -0.001515696817972  0.000000000000005 -0.000000896118963  0.001216342170113
    5  (  5) -0.000000000000130  0.000000000000037  0.005764721128431  0.001637784517814 -0.002497477360554 -0.000000000000115 -0.000727151033786  0.000000000000029 -0.000000000000069
    6  (  6) -0.003911583485771 -0.002074983263044 -0.000000000000312 -0.000000000000067  0.000000000000074 -0.002406026350675  0.000000000000001  0.002779167225167 -0.004282960477877

                        27                 28     
                      ( 27)              ( 28)    

    0  (  0)  0.000000000000003 -0.000053795104588
    1  (  1)  0.000318351641880  0.000000000000000
    2  (  2)  0.000000000000015 -0.000217446958904
    3  (  3)  0.002551311361395 -0.000000000000026
    4  (  4)  0.000000000000031 -0.000136749784716
    5  (  5) -0.003631633484956  0.000000000000027
    6  (  6)  0.000000000000089  0.001594445634695

	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)  0.002346494366349  0.000000000000044  0.000000000000002  0.000387267132784  0.000000000000015  0.000270938446870 -0.000000000000037 -0.000000000000043  0.000869495713080
    1  (  1)  0.000000000000027  0.003214717150888 -0.003321004806245  0.000000000000009 -0.000595118252451 -0.000000000000017 -0.003348492429425 -0.001663718257862 -0.000000000000075
    2  (  2) -0.012020439117816 -0.000000000000020  0.000000000000022 -0.005669218318843 -0.000000000000147 -0.001480471828030 -0.000000000000017 -0.000000000000104  0.001832517999707
    3  (  3)  0.000000000004852 -0.088451787279175  0.064947048034839  0.000000000001074 -0.030817253326595  0.000000000000001 -0.007686918310326 -0.001840102307384 -0.000000000000233
    4  (  4)  0.034623167940818 -0.000000000000944  0.000000000000986  0.005901330850923 -0.000000000000217  0.003406041307607 -0.000000000000113  0.000000000000043 -0.000019811096144
    5  (  5) -0.000000000006502  0.098109581006461 -0.056326578172613 -0.000000000001113  0.027505720309002 -0.000000000000113  0.000285353129084  0.001667357194285  0.000000000000178
    6  (  6) -0.682505316226177 -0.000000000006712 -0.000000000000904 -0.064067902331423 -0.000000000002173 -0.022575185908178  0.000000000000449 -0.000000000000452  0.001139449776669

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

    0  (  0) -0.001030375433277  0.000000000000013  0.000257632412273 -0.001040259115780  0.000000000000013 -0.000000000000010  0.000718568486216 -0.000000000000006 -0.000526068806596
    1  (  1)  0.000000000000024 -0.000201726749973  0.000000000000011 -0.000000000000024 -0.001409972014794  0.000713455688106 -0.000000000000002  0.000394964540584 -0.000000000000016
    2  (  2)  0.000381467198006 -0.000000000000041 -0.000806289433768  0.002196602519037 -0.000000000000056 -0.000000000000006 -0.001211834098561  0.000000000000027  0.001149246383522
    3  (  3) -0.000000000000418 -0.017756867047714 -0.000000000000062 -0.000000000000013  0.001292827727063 -0.002246485764400  0.000000000000058  0.005729921246281 -0.000000000000202
    4  (  4)  0.002266595561911 -0.000000000000284 -0.000925143694921 -0.001133676216832  0.000000000000017 -0.000000000000015  0.001192109939028  0.000000000000044 -0.000832447554843
    5  (  5)  0.000000000000428  0.015884207370112  0.000000000000125  0.000000000000037  0.001231369464426  0.000197919769561 -0.000000000000090 -0.003726450707848  0.000000000000172
    6  (  6)  0.005868859467270 -0.000000000000331  0.016388337408504  0.005197957483764 -0.000000000000106 -0.000000000000073 -0.016198451276459  0.000000000000283  0.010302152799476

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

    0  (  0)  0.000000000000006  0.000000000000013 -0.000127665053866  0.000484491671048  0.000526106467230  0.000000000000011 -0.000921242069977 -0.000000000000008 -0.000000000000000
    1  (  1) -0.001139804147014  0.000355257316051  0.000000000000001  0.000000000000001  0.000000000000022 -0.000620302901457 -0.000000000000005 -0.000175965391743  0.000188724009107
    2  (  2) -0.000000000000033  0.000000000000020  0.000027921956076  0.000825665023596  0.001708446282680  0.000000000000061 -0.000665132191329  0.000000000000001 -0.000000000000003
    3  (  3) -0.007675884487013  0.000122411967857 -0.000000000000068 -0.000000000000031  0.000000000000027 -0.001374763933367  0.000000000000007 -0.000069282426835 -0.002335386375470
    4  (  4) -0.000000000000069  0.000000000000024 -0.001013383136493  0.000861422341301 -0.001091226173792 -0.000000000000037 -0.001973604750960 -0.000000000000001 -0.000000000000028
    5  (  5)  0.005371676000723  0.000944698818771  0.000000000000046  0.000000000000041  0.000000000000036 -0.001911625031271 -0.000000000000013 -0.000661123593808  0.002249349575082
    6  (  6) -0.000000000000382 -0.000000000000036  0.003552250034382  0.002553728490130 -0.000900260665003 -0.000000000000019 -0.000224462612814  0.000000000000014 -0.000000000000039

                        27                 28     
                      ( 27)              ( 28)    

    0  (  0)  0.000060090986133 -0.000000000000000
    1  (  1) -0.000000000000001  0.000011606158019
    2  (  2)  0.000650179259320 -0.000000000000003
    3  (  3)  0.000000000000024 -0.000112748284960
    4  (  4) -0.000506187071557 -0.000000000000002
    5  (  5) -0.000000000000032  0.000112677559313
    6  (  6)  0.002231007992251 -0.000000000000002
resetting norm
Iter=1    L=2   resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1        

    0   0.384058284990703 -0.000000000000001
    1  -0.000000000000000  0.390837374980607
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.6544920357991
Norm of residual vector 0  after precondition    0.6544920357991
                     1   0.3840582850   3.84e-01    6.54e-01      N
Norm of residual vector af preconditioning    0.2127891505157
Norm of final new C in schmidt_add():    1.000000000000002
Norm of residual vector 1  before precondition    0.5952775330761
Norm of residual vector 1  after precondition    0.5952775330761
                     2   0.3908373750   3.91e-01    5.95e-01      N
Norm of residual vector af preconditioning    0.2462830575774
Norm of final new C in schmidt_add():    1.000000000000000
Iter=2    L=4   resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0501874071519
Norm of residual vector 0  after precondition    0.0501874071519
                     1   0.2551720248  -1.29e-01    5.02e-02      N
Norm of residual vector af preconditioning    0.0515866397898
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0570510695865
Norm of residual vector 1  after precondition    0.0570510695865
                     2   0.2559417447  -1.35e-01    5.71e-02      N
Norm of residual vector af preconditioning    0.0295494070973
Norm of final new C in schmidt_add():    1.000000000000000
Iter=3    L=6   resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681

                5        

    0  -0.021565356461266
    1  -0.000000000000148
    2   0.328276535028083
    3   0.000000000001450
    4  -0.000000000006616
    5   1.569760868733853
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0577241711472
Norm of residual vector 0  after precondition    0.0577241711472
                     1   0.2513335193  -3.84e-03    5.77e-02      N
Norm of residual vector af preconditioning    0.0209535753960
Norm of final new C in schmidt_add():    1.000000000000001
Norm of residual vector 1  before precondition    0.0237321731199
Norm of residual vector 1  after precondition    0.0237321731199
                     2   0.2540709995  -1.87e-03    2.37e-02      N
Norm of residual vector af preconditioning    0.0096124365243
Norm of final new C in schmidt_add():    1.000000000000000
Iter=4    L=8   resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158

                5                  6                  7        

    0  -0.021565356461266  0.000000000000125  0.022845285893909
    1  -0.000000000000148 -0.023622667773218  0.000000000000247
    2   0.328276535028083 -0.000000000004041 -0.052287841900737
    3   0.000000000001450  0.080801575584568  0.000000000000500
    4  -0.000000000006616  0.642964937048228 -0.000000000000620
    5   1.569760868733853 -0.000000000008210  0.881719036780089
    6  -0.000000000008717  2.650576468647910  0.000000000009089
    7   0.886103516581871  0.000000000008564  2.212464569630484
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0171841070259
Norm of residual vector 0  after precondition    0.0171841070259
                     1   0.2496243932  -1.71e-03    1.72e-02      N
Norm of residual vector af preconditioning    0.0118618099089
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0115943241344
Norm of residual vector 1  after precondition    0.0115943241344
                     2   0.2537522580  -3.19e-04    1.16e-02      N
Norm of residual vector af preconditioning    0.0083043920093
Norm of final new C in schmidt_add():    0.999999999999999
Iter=5    L=10  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158
    8  -0.000000000001098  0.012560051297978  0.000000000007430 -0.120135372448564  0.139641158113396
    9   0.020695683060127  0.000000000000518 -0.176410417186697 -0.000000000002071 -0.000000000007822

                5                  6                  7                  8                  9        

    0  -0.021565356461266  0.000000000000125  0.022845285893909 -0.000000000001178  0.019542877113514
    1  -0.000000000000148 -0.023622667773218  0.000000000000247  0.011296230435731  0.000000000000691
    2   0.328276535028083 -0.000000000004041 -0.052287841900737  0.000000000007858 -0.178946264950489
    3   0.000000000001450  0.080801575584568  0.000000000000500 -0.122210878024269 -0.000000000001558
    4  -0.000000000006616  0.642964937048228 -0.000000000000620  0.141756895595585 -0.000000000007592
    5   1.569760868733853 -0.000000000008210  0.881719036780089  0.000000000011257 -0.211000024563500
    6  -0.000000000008717  2.650576468647910  0.000000000009089 -0.468076457194171 -0.000000000037413
    7   0.886103516581871  0.000000000008564  2.212464569630484  0.000000000004653  1.213719157915309
    8   0.000000000011355 -0.466559540466958  0.000000000004487  1.280579546637283  0.000000000014826
    9  -0.207755945860236 -0.000000000036845  1.214021083608073  0.000000000014832  2.120442589755682
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0096814965844
Norm of residual vector 0  after precondition    0.0096814965844
                     1   0.2493625369  -2.62e-04    9.68e-03      N
Norm of residual vector af preconditioning    0.0040548231960
Norm of final new C in schmidt_add():    1.000000000000001
Norm of residual vector 1  before precondition    0.0096707297725
Norm of residual vector 1  after precondition    0.0096707297725
                     2   0.2535365652  -2.16e-04    9.67e-03      N
Norm of residual vector af preconditioning    0.0042612433953
Norm of final new C in schmidt_add():    1.000000000000000
Iter=6    L=12  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158
    8  -0.000000000001098  0.012560051297978  0.000000000007430 -0.120135372448564  0.139641158113396
    9   0.020695683060127  0.000000000000518 -0.176410417186697 -0.000000000002071 -0.000000000007822
   10  -0.000000000002396 -0.005881503195125  0.000000000011879  0.002313879303879  0.138390123845531
   11  -0.023715056138148 -0.000000000000304  0.154307549075064  0.000000000001924 -0.000000000001228

                5                  6                  7                  8                  9        

    0  -0.021565356461266  0.000000000000125  0.022845285893909 -0.000000000001178  0.019542877113514
    1  -0.000000000000148 -0.023622667773218  0.000000000000247  0.011296230435731  0.000000000000691
    2   0.328276535028083 -0.000000000004041 -0.052287841900737  0.000000000007858 -0.178946264950489
    3   0.000000000001450  0.080801575584568  0.000000000000500 -0.122210878024269 -0.000000000001558
    4  -0.000000000006616  0.642964937048228 -0.000000000000620  0.141756895595585 -0.000000000007592
    5   1.569760868733853 -0.000000000008210  0.881719036780089  0.000000000011257 -0.211000024563500
    6  -0.000000000008717  2.650576468647910  0.000000000009089 -0.468076457194171 -0.000000000037413
    7   0.886103516581871  0.000000000008564  2.212464569630484  0.000000000004653  1.213719157915309
    8   0.000000000011355 -0.466559540466958  0.000000000004487  1.280579546637283  0.000000000014826
    9  -0.207755945860236 -0.000000000036845  1.214021083608073  0.000000000014832  2.120442589755682
   10  -0.000000000000286  0.246159072576924 -0.000000000005496  0.632768351084148 -0.000000000000598
   11   0.345902115153755  0.000000000001335  0.511513924661081  0.000000000013401 -0.155720668789728

               10                 11        

    0  -0.000000000002487 -0.024103785395935
    1  -0.006552896092149 -0.000000000000561
    2   0.000000000011734  0.155150515702673
    3   0.001740087013854  0.000000000001516
    4   0.138647604020392 -0.000000000001650
    5  -0.000000000000485  0.344595245393776
    6   0.244956995824563  0.000000000001233
    7  -0.000000000005557  0.508919647286973
    8   0.632580893954470  0.000000000013360
    9  -0.000000000000364 -0.154211762796253
   10   2.057226025009247  0.000000000030775
   11   0.000000000030647  2.166524678317318
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0044608950768
Norm of residual vector 0  after precondition    0.0044608950768
                     1   0.2493135069  -4.90e-05    4.46e-03      N
Norm of residual vector af preconditioning    0.0026770649716
Norm of final new C in schmidt_add():    0.999999999999999
Norm of residual vector 1  before precondition    0.0041947172953
Norm of residual vector 1  after precondition    0.0041947172953
                     2   0.2534787617  -5.78e-05    4.19e-03      N
Norm of residual vector af preconditioning    0.0020496312569
Norm of final new C in schmidt_add():    1.000000000000002
Iter=7    L=14  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158
    8  -0.000000000001098  0.012560051297978  0.000000000007430 -0.120135372448564  0.139641158113396
    9   0.020695683060127  0.000000000000518 -0.176410417186697 -0.000000000002071 -0.000000000007822
   10  -0.000000000002396 -0.005881503195125  0.000000000011879  0.002313879303879  0.138390123845531
   11  -0.023715056138148 -0.000000000000304  0.154307549075064  0.000000000001924 -0.000000000001228
   12  -0.000000000003828 -0.022814194112045  0.000000000018529  0.112879839905356  0.002749350983932
   13   0.002182213091469  0.000000000001118 -0.018752125276688 -0.000000000003993 -0.000000000004151

                5                  6                  7                  8                  9        

    0  -0.021565356461266  0.000000000000125  0.022845285893909 -0.000000000001178  0.019542877113514
    1  -0.000000000000148 -0.023622667773218  0.000000000000247  0.011296230435731  0.000000000000691
    2   0.328276535028083 -0.000000000004041 -0.052287841900737  0.000000000007858 -0.178946264950489
    3   0.000000000001450  0.080801575584568  0.000000000000500 -0.122210878024269 -0.000000000001558
    4  -0.000000000006616  0.642964937048228 -0.000000000000620  0.141756895595585 -0.000000000007592
    5   1.569760868733853 -0.000000000008210  0.881719036780089  0.000000000011257 -0.211000024563500
    6  -0.000000000008717  2.650576468647910  0.000000000009089 -0.468076457194171 -0.000000000037413
    7   0.886103516581871  0.000000000008564  2.212464569630484  0.000000000004653  1.213719157915309
    8   0.000000000011355 -0.466559540466958  0.000000000004487  1.280579546637283  0.000000000014826
    9  -0.207755945860236 -0.000000000036845  1.214021083608073  0.000000000014832  2.120442589755682
   10  -0.000000000000286  0.246159072576924 -0.000000000005496  0.632768351084148 -0.000000000000598
   11   0.345902115153755  0.000000000001335  0.511513924661081  0.000000000013401 -0.155720668789728
   12   0.000000000003864  0.332587827021917  0.000000000014391 -0.134774030800559  0.000000000013381
   13  -0.019087016723278 -0.000000000018235  0.348935126014649  0.000000000002367  0.458490843170734

               10                 11                 12                 13        

    0  -0.000000000002487 -0.024103785395935 -0.000000000004170 -0.000116964376316
    1  -0.006552896092149 -0.000000000000561 -0.021792045809379  0.000000000000613
    2   0.000000000011734  0.155150515702673  0.000000000018910 -0.018770983741886
    3   0.001740087013854  0.000000000001516  0.113623067069366 -0.000000000003956
    4   0.138647604020392 -0.000000000001650  0.000346144420277 -0.000000000004598
    5  -0.000000000000485  0.344595245393776  0.000000000003479 -0.021540349514367
    6   0.244956995824563  0.000000000001233  0.331986872706565 -0.000000000017789
    7  -0.000000000005557  0.508919647286973  0.000000000014285  0.347409673820393
    8   0.632580893954470  0.000000000013360 -0.136128694076626  0.000000000002328
    9  -0.000000000000364 -0.154211762796253  0.000000000013748  0.461751592605800
   10   2.057226025009247  0.000000000030775  1.176184730736529 -0.000000000031417
   11   0.000000000030647  2.166524678317318  0.000000000038175  0.961488845667112
   12   1.175079974655509  0.000000000038289  2.253649582224266 -0.000000000014954
   13  -0.000000000031442  0.963019068303623 -0.000000000014936  2.363323732888481
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0022985405448
Norm of residual vector 0  after precondition    0.0022985405448
                     1   0.2492958793  -1.76e-05    2.30e-03      N
Norm of residual vector af preconditioning    0.0013154394601
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0014072824914
Norm of residual vector 1  after precondition    0.0014072824914
                     2   0.2534630670  -1.57e-05    1.41e-03      N
Norm of residual vector af preconditioning    0.0009273905633
Norm of final new C in schmidt_add():    1.000000000000002
Iter=8    L=16  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158
    8  -0.000000000001098  0.012560051297978  0.000000000007430 -0.120135372448564  0.139641158113396
    9   0.020695683060127  0.000000000000518 -0.176410417186697 -0.000000000002071 -0.000000000007822
   10  -0.000000000002396 -0.005881503195125  0.000000000011879  0.002313879303879  0.138390123845531
   11  -0.023715056138148 -0.000000000000304  0.154307549075064  0.000000000001924 -0.000000000001228
   12  -0.000000000003828 -0.022814194112045  0.000000000018529  0.112879839905356  0.002749350983932
   13   0.002182213091469  0.000000000001118 -0.018752125276688 -0.000000000003993 -0.000000000004151
   14   0.000000000004361  0.021158622596370 -0.000000000021737 -0.106331262669955  0.069175916334530
   15   0.005316770041968  0.000000000001881 -0.036439497826954 -0.000000000008615  0.000000000004428

                5                  6                  7                  8                  9        

    0  -0.021565356461266  0.000000000000125  0.022845285893909 -0.000000000001178  0.019542877113514
    1  -0.000000000000148 -0.023622667773218  0.000000000000247  0.011296230435731  0.000000000000691
    2   0.328276535028083 -0.000000000004041 -0.052287841900737  0.000000000007858 -0.178946264950489
    3   0.000000000001450  0.080801575584568  0.000000000000500 -0.122210878024269 -0.000000000001558
    4  -0.000000000006616  0.642964937048228 -0.000000000000620  0.141756895595585 -0.000000000007592
    5   1.569760868733853 -0.000000000008210  0.881719036780089  0.000000000011257 -0.211000024563500
    6  -0.000000000008717  2.650576468647910  0.000000000009089 -0.468076457194171 -0.000000000037413
    7   0.886103516581871  0.000000000008564  2.212464569630484  0.000000000004653  1.213719157915309
    8   0.000000000011355 -0.466559540466958  0.000000000004487  1.280579546637283  0.000000000014826
    9  -0.207755945860236 -0.000000000036845  1.214021083608073  0.000000000014832  2.120442589755682
   10  -0.000000000000286  0.246159072576924 -0.000000000005496  0.632768351084148 -0.000000000000598
   11   0.345902115153755  0.000000000001335  0.511513924661081  0.000000000013401 -0.155720668789728
   12   0.000000000003864  0.332587827021917  0.000000000014391 -0.134774030800559  0.000000000013381
   13  -0.019087016723278 -0.000000000018235  0.348935126014649  0.000000000002367  0.458490843170734
   14   0.000000000000391 -0.036171497960784  0.000000000029485  0.241856526117004  0.000000000030768
   15  -0.088462242142838 -0.000000000002681  0.049782499679454  0.000000000007050  0.329632098551061

               10                 11                 12                 13                 14        

    0  -0.000000000002487 -0.024103785395935 -0.000000000004170 -0.000116964376316  0.000000000004489
    1  -0.006552896092149 -0.000000000000561 -0.021792045809379  0.000000000000613  0.021068273310809
    2   0.000000000011734  0.155150515702673  0.000000000018910 -0.018770983741886 -0.000000000021285
    3   0.001740087013854  0.000000000001516  0.113623067069366 -0.000000000003956 -0.106158987576378
    4   0.138647604020392 -0.000000000001650  0.000346144420277 -0.000000000004598  0.068734070083914
    5  -0.000000000000485  0.344595245393776  0.000000000003479 -0.021540349514367  0.000000000000502
    6   0.244956995824563  0.000000000001233  0.331986872706565 -0.000000000017789 -0.036724352191166
    7  -0.000000000005557  0.508919647286973  0.000000000014285  0.347409673820393  0.000000000029566
    8   0.632580893954470  0.000000000013360 -0.136128694076626  0.000000000002328  0.243625902659841
    9  -0.000000000000364 -0.154211762796253  0.000000000013748  0.461751592605800  0.000000000030703
   10   2.057226025009247  0.000000000030775  1.176184730736529 -0.000000000031417  0.075027618870071
   11   0.000000000030647  2.166524678317318  0.000000000038175  0.961488845667112  0.000000000005229
   12   1.175079974655509  0.000000000038289  2.253649582224266 -0.000000000014954 -0.696172385241915
   13  -0.000000000031442  0.963019068303623 -0.000000000014936  2.363323732888481  0.000000000026481
   14   0.076456679450369  0.000000000005270 -0.697106440187168  0.000000000026500  1.486901974648241
   15  -0.000000000022650 -0.355610981745215 -0.000000000020351  0.671081202597384 -0.000000000004481

               15        

    0   0.003503570997100
    1   0.000000000001926
    2  -0.035890689062197
    3  -0.000000000009244
    4   0.000000000004170
    5  -0.089523402616668
    6  -0.000000000002520
    7   0.050065348340370
    8   0.000000000007239
    9   0.330811085000265
   10  -0.000000000022545
   11  -0.353786273026868
   12  -0.000000000020124
   13   0.672122500435274
   14  -0.000000000004771
   15   1.526127893595165
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0018917589826
Norm of residual vector 0  after precondition    0.0018917589826
                     1   0.2492895129  -6.37e-06    1.89e-03      N
Norm of residual vector af preconditioning    0.0009397067684
Norm of final new C in schmidt_add():    1.000000000000001
Norm of residual vector 1  before precondition    0.0011220934534
Norm of residual vector 1  after precondition    0.0011220934534
                     2   0.2534617410  -1.33e-06    1.12e-03      N
Norm of residual vector af preconditioning    0.0004922998177
Norm of final new C in schmidt_add():    0.999999999999997
Iter=9    L=18  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158
    8  -0.000000000001098  0.012560051297978  0.000000000007430 -0.120135372448564  0.139641158113396
    9   0.020695683060127  0.000000000000518 -0.176410417186697 -0.000000000002071 -0.000000000007822
   10  -0.000000000002396 -0.005881503195125  0.000000000011879  0.002313879303879  0.138390123845531
   11  -0.023715056138148 -0.000000000000304  0.154307549075064  0.000000000001924 -0.000000000001228
   12  -0.000000000003828 -0.022814194112045  0.000000000018529  0.112879839905356  0.002749350983932
   13   0.002182213091469  0.000000000001118 -0.018752125276688 -0.000000000003993 -0.000000000004151
   14   0.000000000004361  0.021158622596370 -0.000000000021737 -0.106331262669955  0.069175916334530
   15   0.005316770041968  0.000000000001881 -0.036439497826954 -0.000000000008615  0.000000000004428
   16   0.000000000004835  0.003400403295466 -0.000000000024303 -0.003709775830168 -0.002591892983938
   17  -0.031802406957461  0.000000000002602  0.169929273846073 -0.000000000010015 -0.000000000003842

                5                  6                  7                  8                  9        

    0  -0.021565356461266  0.000000000000125  0.022845285893909 -0.000000000001178  0.019542877113514
    1  -0.000000000000148 -0.023622667773218  0.000000000000247  0.011296230435731  0.000000000000691
    2   0.328276535028083 -0.000000000004041 -0.052287841900737  0.000000000007858 -0.178946264950489
    3   0.000000000001450  0.080801575584568  0.000000000000500 -0.122210878024269 -0.000000000001558
    4  -0.000000000006616  0.642964937048228 -0.000000000000620  0.141756895595585 -0.000000000007592
    5   1.569760868733853 -0.000000000008210  0.881719036780089  0.000000000011257 -0.211000024563500
    6  -0.000000000008717  2.650576468647910  0.000000000009089 -0.468076457194171 -0.000000000037413
    7   0.886103516581871  0.000000000008564  2.212464569630484  0.000000000004653  1.213719157915309
    8   0.000000000011355 -0.466559540466958  0.000000000004487  1.280579546637283  0.000000000014826
    9  -0.207755945860236 -0.000000000036845  1.214021083608073  0.000000000014832  2.120442589755682
   10  -0.000000000000286  0.246159072576924 -0.000000000005496  0.632768351084148 -0.000000000000598
   11   0.345902115153755  0.000000000001335  0.511513924661081  0.000000000013401 -0.155720668789728
   12   0.000000000003864  0.332587827021917  0.000000000014391 -0.134774030800559  0.000000000013381
   13  -0.019087016723278 -0.000000000018235  0.348935126014649  0.000000000002367  0.458490843170734
   14   0.000000000000391 -0.036171497960784  0.000000000029485  0.241856526117004  0.000000000030768
   15  -0.088462242142838 -0.000000000002681  0.049782499679454  0.000000000007050  0.329632098551061
   16  -0.000000000008074  0.049082044297686  0.000000000006847  0.047979605147013  0.000000000010867
   17   0.058803681079666 -0.000000000029317 -0.187848379821583  0.000000000023141 -0.232718276603693

               10                 11                 12                 13                 14        

    0  -0.000000000002487 -0.024103785395935 -0.000000000004170 -0.000116964376316  0.000000000004489
    1  -0.006552896092149 -0.000000000000561 -0.021792045809379  0.000000000000613  0.021068273310809
    2   0.000000000011734  0.155150515702673  0.000000000018910 -0.018770983741886 -0.000000000021285
    3   0.001740087013854  0.000000000001516  0.113623067069366 -0.000000000003956 -0.106158987576378
    4   0.138647604020392 -0.000000000001650  0.000346144420277 -0.000000000004598  0.068734070083914
    5  -0.000000000000485  0.344595245393776  0.000000000003479 -0.021540349514367  0.000000000000502
    6   0.244956995824563  0.000000000001233  0.331986872706565 -0.000000000017789 -0.036724352191166
    7  -0.000000000005557  0.508919647286973  0.000000000014285  0.347409673820393  0.000000000029566
    8   0.632580893954470  0.000000000013360 -0.136128694076626  0.000000000002328  0.243625902659841
    9  -0.000000000000364 -0.154211762796253  0.000000000013748  0.461751592605800  0.000000000030703
   10   2.057226025009247  0.000000000030775  1.176184730736529 -0.000000000031417  0.075027618870071
   11   0.000000000030647  2.166524678317318  0.000000000038175  0.961488845667112  0.000000000005229
   12   1.175079974655509  0.000000000038289  2.253649582224266 -0.000000000014954 -0.696172385241915
   13  -0.000000000031442  0.963019068303623 -0.000000000014936  2.363323732888481  0.000000000026481
   14   0.076456679450369  0.000000000005270 -0.697106440187168  0.000000000026500  1.486901974648241
   15  -0.000000000022650 -0.355610981745215 -0.000000000020351  0.671081202597384 -0.000000000004481
   16   0.394593989947687  0.000000000012001  0.467521420552167  0.000000000005634  0.748273211674105
   17  -0.000000000003398 -0.201352058609049 -0.000000000002646 -0.505362954951399 -0.000000000054988

               15                 16                 17        

    0   0.003503570997100  0.000000000005202 -0.034168143739706
    1   0.000000000001926  0.003460237527559  0.000000000002299
    2  -0.035890689062197 -0.000000000024535  0.170066699607292
    3  -0.000000000009244 -0.003591376724515 -0.000000000009773
    4   0.000000000004170 -0.002454719942240 -0.000000000004278
    5  -0.089523402616668 -0.000000000008068  0.057915275562935
    6  -0.000000000002520  0.049543700244620 -0.000000000029053
    7   0.050065348340370  0.000000000006840 -0.188507126786356
    8   0.000000000007239  0.048151885498634  0.000000000023426
    9   0.330811085000265  0.000000000010714 -0.231252178655883
   10  -0.000000000022545  0.394008178014088 -0.000000000003649
   11  -0.353786273026868  0.000000000011834 -0.199792307971624
   12  -0.000000000020124  0.467781624861530 -0.000000000002864
   13   0.672122500435274  0.000000000005457 -0.506459162501994
   14  -0.000000000004771  0.747935182530491 -0.000000000054848
   15   1.526127893595165 -0.000000000021055  0.758646845656266
   16  -0.000000000021255  2.271454591214564 -0.000000000042135
   17   0.761355216634293 -0.000000000042392  3.083185144703869
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0010477408834
Norm of residual vector 0  after precondition    0.0010477408834
                     1   0.2492856145  -3.90e-06    1.05e-03      N
Norm of residual vector af preconditioning    0.0007113752896
Norm of final new C in schmidt_add():    0.999999999999999
Norm of residual vector 1  before precondition    0.0003430311724
Norm of residual vector 1  after precondition    0.0003430311724
                     2   0.2534592104  -2.53e-06    3.43e-04      N
Norm of residual vector af preconditioning    0.0001461244121
Norm of final new C in schmidt_add():    0.999999999999999
Iter=10   L=20  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158
    8  -0.000000000001098  0.012560051297978  0.000000000007430 -0.120135372448564  0.139641158113396
    9   0.020695683060127  0.000000000000518 -0.176410417186697 -0.000000000002071 -0.000000000007822
   10  -0.000000000002396 -0.005881503195125  0.000000000011879  0.002313879303879  0.138390123845531
   11  -0.023715056138148 -0.000000000000304  0.154307549075064  0.000000000001924 -0.000000000001228
   12  -0.000000000003828 -0.022814194112045  0.000000000018529  0.112879839905356  0.002749350983932
   13   0.002182213091469  0.000000000001118 -0.018752125276688 -0.000000000003993 -0.000000000004151
   14   0.000000000004361  0.021158622596370 -0.000000000021737 -0.106331262669955  0.069175916334530
   15   0.005316770041968  0.000000000001881 -0.036439497826954 -0.000000000008615  0.000000000004428
   16   0.000000000004835  0.003400403295466 -0.000000000024303 -0.003709775830168 -0.002591892983938
   17  -0.031802406957461  0.000000000002602  0.169929273846073 -0.000000000010015 -0.000000000003842
   18   0.000000000000941 -0.029166478967233 -0.000000000004064  0.124838993899792  0.015994856314583
   19   0.064341360686663  0.000000000000372 -0.305483699771909 -0.000000000002298  0.000000000000955

                5                  6                  7                  8                  9        

    0  -0.021565356461266  0.000000000000125  0.022845285893909 -0.000000000001178  0.019542877113514
    1  -0.000000000000148 -0.023622667773218  0.000000000000247  0.011296230435731  0.000000000000691
    2   0.328276535028083 -0.000000000004041 -0.052287841900737  0.000000000007858 -0.178946264950489
    3   0.000000000001450  0.080801575584568  0.000000000000500 -0.122210878024269 -0.000000000001558
    4  -0.000000000006616  0.642964937048228 -0.000000000000620  0.141756895595585 -0.000000000007592
    5   1.569760868733853 -0.000000000008210  0.881719036780089  0.000000000011257 -0.211000024563500
    6  -0.000000000008717  2.650576468647910  0.000000000009089 -0.468076457194171 -0.000000000037413
    7   0.886103516581871  0.000000000008564  2.212464569630484  0.000000000004653  1.213719157915309
    8   0.000000000011355 -0.466559540466958  0.000000000004487  1.280579546637283  0.000000000014826
    9  -0.207755945860236 -0.000000000036845  1.214021083608073  0.000000000014832  2.120442589755682
   10  -0.000000000000286  0.246159072576924 -0.000000000005496  0.632768351084148 -0.000000000000598
   11   0.345902115153755  0.000000000001335  0.511513924661081  0.000000000013401 -0.155720668789728
   12   0.000000000003864  0.332587827021917  0.000000000014391 -0.134774030800559  0.000000000013381
   13  -0.019087016723278 -0.000000000018235  0.348935126014649  0.000000000002367  0.458490843170734
   14   0.000000000000391 -0.036171497960784  0.000000000029485  0.241856526117004  0.000000000030768
   15  -0.088462242142838 -0.000000000002681  0.049782499679454  0.000000000007050  0.329632098551061
   16  -0.000000000008074  0.049082044297686  0.000000000006847  0.047979605147013  0.000000000010867
   17   0.058803681079666 -0.000000000029317 -0.187848379821583  0.000000000023141 -0.232718276603693
   18   0.000000000004268  0.236599218643498  0.000000000014499 -0.216911107544084  0.000000000006410
   19  -0.024261231842843  0.000000000004920  0.180839680289567 -0.000000000006524  0.233991049657558

               10                 11                 12                 13                 14        

    0  -0.000000000002487 -0.024103785395935 -0.000000000004170 -0.000116964376316  0.000000000004489
    1  -0.006552896092149 -0.000000000000561 -0.021792045809379  0.000000000000613  0.021068273310809
    2   0.000000000011734  0.155150515702673  0.000000000018910 -0.018770983741886 -0.000000000021285
    3   0.001740087013854  0.000000000001516  0.113623067069366 -0.000000000003956 -0.106158987576378
    4   0.138647604020392 -0.000000000001650  0.000346144420277 -0.000000000004598  0.068734070083914
    5  -0.000000000000485  0.344595245393776  0.000000000003479 -0.021540349514367  0.000000000000502
    6   0.244956995824563  0.000000000001233  0.331986872706565 -0.000000000017789 -0.036724352191166
    7  -0.000000000005557  0.508919647286973  0.000000000014285  0.347409673820393  0.000000000029566
    8   0.632580893954470  0.000000000013360 -0.136128694076626  0.000000000002328  0.243625902659841
    9  -0.000000000000364 -0.154211762796253  0.000000000013748  0.461751592605800  0.000000000030703
   10   2.057226025009247  0.000000000030775  1.176184730736529 -0.000000000031417  0.075027618870071
   11   0.000000000030647  2.166524678317318  0.000000000038175  0.961488845667112  0.000000000005229
   12   1.175079974655509  0.000000000038289  2.253649582224266 -0.000000000014954 -0.696172385241915
   13  -0.000000000031442  0.963019068303623 -0.000000000014936  2.363323732888481  0.000000000026481
   14   0.076456679450369  0.000000000005270 -0.697106440187168  0.000000000026500  1.486901974648241
   15  -0.000000000022650 -0.355610981745215 -0.000000000020351  0.671081202597384 -0.000000000004481
   16   0.394593989947687  0.000000000012001  0.467521420552167  0.000000000005634  0.748273211674105
   17  -0.000000000003398 -0.201352058609049 -0.000000000002646 -0.505362954951399 -0.000000000054988
   18  -0.017856033118838  0.000000000000958  0.440572867780587 -0.000000000004804 -0.338988007879431
   19  -0.000000000001081  0.009270218845799 -0.000000000008659  0.428437672152790  0.000000000029233

               15                 16                 17                 18                 19        

    0   0.003503570997100  0.000000000005202 -0.034168143739706  0.000000000000915  0.068052146659635
    1   0.000000000001926  0.003460237527559  0.000000000002299 -0.029768948932757  0.000000000000259
    2  -0.035890689062197 -0.000000000024535  0.170066699607292 -0.000000000003683 -0.305271833377729
    3  -0.000000000009244 -0.003591376724515 -0.000000000009773  0.124354097959439 -0.000000000002063
    4   0.000000000004170 -0.002454719942240 -0.000000000004278  0.015494712605289  0.000000000001056
    5  -0.089523402616668 -0.000000000008068  0.057915275562935  0.000000000004302 -0.024229813660822
    6  -0.000000000002520  0.049543700244620 -0.000000000029053  0.235644913182844  0.000000000004821
    7   0.050065348340370  0.000000000006840 -0.188507126786356  0.000000000014465  0.179977488635637
    8   0.000000000007239  0.048151885498634  0.000000000023426 -0.216697527850782 -0.000000000006773
    9   0.330811085000265  0.000000000010714 -0.231252178655883  0.000000000006515  0.233966769455107
   10  -0.000000000022545  0.394008178014088 -0.000000000003649 -0.018467496230350 -0.000000000001010
   11  -0.353786273026868  0.000000000011834 -0.199792307971624  0.000000000001040  0.008679532944723
   12  -0.000000000020124  0.467781624861530 -0.000000000002864  0.441495169059526 -0.000000000008857
   13   0.672122500435274  0.000000000005457 -0.506459162501994 -0.000000000004856  0.428998863241181
   14  -0.000000000004771  0.747935182530491 -0.000000000054848 -0.338574529021312  0.000000000029564
   15   1.526127893595165 -0.000000000021055  0.758646845656266 -0.000000000006500  0.315702501085164
   16  -0.000000000021255  2.271454591214564 -0.000000000042135  0.674329826857407  0.000000000028511
   17   0.761355216634293 -0.000000000042392  3.083185144703869  0.000000000006554 -0.629678244199731
   18  -0.000000000006686  0.673604326968962  0.000000000006585  1.569092453706468  0.000000000005565
   19   0.315554245868821  0.000000000028468 -0.626950794889030  0.000000000005668  2.433662211583047
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0007655344794
Norm of residual vector 0  after precondition    0.0007655344794
                     1   0.2492853907  -2.24e-07    7.66e-04      N
Norm of residual vector af preconditioning    0.0002710288156
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0001054943307
Norm of residual vector 1  after precondition    0.0001054943307
                     2   0.2534597797   5.69e-07    1.05e-04      N
Norm of residual vector af preconditioning    0.0000476763636
Norm of final new C in schmidt_add():    1.000000000000000
Iter=11   L=22  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158
    8  -0.000000000001098  0.012560051297978  0.000000000007430 -0.120135372448564  0.139641158113396
    9   0.020695683060127  0.000000000000518 -0.176410417186697 -0.000000000002071 -0.000000000007822
   10  -0.000000000002396 -0.005881503195125  0.000000000011879  0.002313879303879  0.138390123845531
   11  -0.023715056138148 -0.000000000000304  0.154307549075064  0.000000000001924 -0.000000000001228
   12  -0.000000000003828 -0.022814194112045  0.000000000018529  0.112879839905356  0.002749350983932
   13   0.002182213091469  0.000000000001118 -0.018752125276688 -0.000000000003993 -0.000000000004151
   14   0.000000000004361  0.021158622596370 -0.000000000021737 -0.106331262669955  0.069175916334530
   15   0.005316770041968  0.000000000001881 -0.036439497826954 -0.000000000008615  0.000000000004428
   16   0.000000000004835  0.003400403295466 -0.000000000024303 -0.003709775830168 -0.002591892983938
   17  -0.031802406957461  0.000000000002602  0.169929273846073 -0.000000000010015 -0.000000000003842
   18   0.000000000000941 -0.029166478967233 -0.000000000004064  0.124838993899792  0.015994856314583
   19   0.064341360686663  0.000000000000372 -0.305483699771909 -0.000000000002298  0.000000000000955
   20   0.000000000002533  0.049711915384671 -0.000000000012883 -0.208223198055475  0.020400506416554
   21  -0.026162231845830  0.000000000000186  0.127322982442597  0.000000000000536 -0.000000000005719

                5                  6                  7                  8                  9        

    0  -0.021565356461266  0.000000000000125  0.022845285893909 -0.000000000001178  0.019542877113514
    1  -0.000000000000148 -0.023622667773218  0.000000000000247  0.011296230435731  0.000000000000691
    2   0.328276535028083 -0.000000000004041 -0.052287841900737  0.000000000007858 -0.178946264950489
    3   0.000000000001450  0.080801575584568  0.000000000000500 -0.122210878024269 -0.000000000001558
    4  -0.000000000006616  0.642964937048228 -0.000000000000620  0.141756895595585 -0.000000000007592
    5   1.569760868733853 -0.000000000008210  0.881719036780089  0.000000000011257 -0.211000024563500
    6  -0.000000000008717  2.650576468647910  0.000000000009089 -0.468076457194171 -0.000000000037413
    7   0.886103516581871  0.000000000008564  2.212464569630484  0.000000000004653  1.213719157915309
    8   0.000000000011355 -0.466559540466958  0.000000000004487  1.280579546637283  0.000000000014826
    9  -0.207755945860236 -0.000000000036845  1.214021083608073  0.000000000014832  2.120442589755682
   10  -0.000000000000286  0.246159072576924 -0.000000000005496  0.632768351084148 -0.000000000000598
   11   0.345902115153755  0.000000000001335  0.511513924661081  0.000000000013401 -0.155720668789728
   12   0.000000000003864  0.332587827021917  0.000000000014391 -0.134774030800559  0.000000000013381
   13  -0.019087016723278 -0.000000000018235  0.348935126014649  0.000000000002367  0.458490843170734
   14   0.000000000000391 -0.036171497960784  0.000000000029485  0.241856526117004  0.000000000030768
   15  -0.088462242142838 -0.000000000002681  0.049782499679454  0.000000000007050  0.329632098551061
   16  -0.000000000008074  0.049082044297686  0.000000000006847  0.047979605147013  0.000000000010867
   17   0.058803681079666 -0.000000000029317 -0.187848379821583  0.000000000023141 -0.232718276603693
   18   0.000000000004268  0.236599218643498  0.000000000014499 -0.216911107544084  0.000000000006410
   19  -0.024261231842843  0.000000000004920  0.180839680289567 -0.000000000006524  0.233991049657558
   20  -0.000000000005279 -0.045573719310480  0.000000000005170 -0.015459886352612  0.000000000012653
   21   0.022985514806002 -0.000000000018194 -0.020363592794730  0.000000000007198 -0.039823092017279

               10                 11                 12                 13                 14        

    0  -0.000000000002487 -0.024103785395935 -0.000000000004170 -0.000116964376316  0.000000000004489
    1  -0.006552896092149 -0.000000000000561 -0.021792045809379  0.000000000000613  0.021068273310809
    2   0.000000000011734  0.155150515702673  0.000000000018910 -0.018770983741886 -0.000000000021285
    3   0.001740087013854  0.000000000001516  0.113623067069366 -0.000000000003956 -0.106158987576378
    4   0.138647604020392 -0.000000000001650  0.000346144420277 -0.000000000004598  0.068734070083914
    5  -0.000000000000485  0.344595245393776  0.000000000003479 -0.021540349514367  0.000000000000502
    6   0.244956995824563  0.000000000001233  0.331986872706565 -0.000000000017789 -0.036724352191166
    7  -0.000000000005557  0.508919647286973  0.000000000014285  0.347409673820393  0.000000000029566
    8   0.632580893954470  0.000000000013360 -0.136128694076626  0.000000000002328  0.243625902659841
    9  -0.000000000000364 -0.154211762796253  0.000000000013748  0.461751592605800  0.000000000030703
   10   2.057226025009247  0.000000000030775  1.176184730736529 -0.000000000031417  0.075027618870071
   11   0.000000000030647  2.166524678317318  0.000000000038175  0.961488845667112  0.000000000005229
   12   1.175079974655509  0.000000000038289  2.253649582224266 -0.000000000014954 -0.696172385241915
   13  -0.000000000031442  0.963019068303623 -0.000000000014936  2.363323732888481  0.000000000026481
   14   0.076456679450369  0.000000000005270 -0.697106440187168  0.000000000026500  1.486901974648241
   15  -0.000000000022650 -0.355610981745215 -0.000000000020351  0.671081202597384 -0.000000000004481
   16   0.394593989947687  0.000000000012001  0.467521420552167  0.000000000005634  0.748273211674105
   17  -0.000000000003398 -0.201352058609049 -0.000000000002646 -0.505362954951399 -0.000000000054988
   18  -0.017856033118838  0.000000000000958  0.440572867780587 -0.000000000004804 -0.338988007879431
   19  -0.000000000001081  0.009270218845799 -0.000000000008659  0.428437672152790  0.000000000029233
   20  -0.056851115728663 -0.000000000015620 -0.052902749765506 -0.000000000007107  0.188821819450647
   21  -0.000000000009089  0.189412003352321 -0.000000000014633  0.212749663252451  0.000000000017200

               15                 16                 17                 18                 19        

    0   0.003503570997100  0.000000000005202 -0.034168143739706  0.000000000000915  0.068052146659635
    1   0.000000000001926  0.003460237527559  0.000000000002299 -0.029768948932757  0.000000000000259
    2  -0.035890689062197 -0.000000000024535  0.170066699607292 -0.000000000003683 -0.305271833377729
    3  -0.000000000009244 -0.003591376724515 -0.000000000009773  0.124354097959439 -0.000000000002063
    4   0.000000000004170 -0.002454719942240 -0.000000000004278  0.015494712605289  0.000000000001056
    5  -0.089523402616668 -0.000000000008068  0.057915275562935  0.000000000004302 -0.024229813660822
    6  -0.000000000002520  0.049543700244620 -0.000000000029053  0.235644913182844  0.000000000004821
    7   0.050065348340370  0.000000000006840 -0.188507126786356  0.000000000014465  0.179977488635637
    8   0.000000000007239  0.048151885498634  0.000000000023426 -0.216697527850782 -0.000000000006773
    9   0.330811085000265  0.000000000010714 -0.231252178655883  0.000000000006515  0.233966769455107
   10  -0.000000000022545  0.394008178014088 -0.000000000003649 -0.018467496230350 -0.000000000001010
   11  -0.353786273026868  0.000000000011834 -0.199792307971624  0.000000000001040  0.008679532944723
   12  -0.000000000020124  0.467781624861530 -0.000000000002864  0.441495169059526 -0.000000000008857
   13   0.672122500435274  0.000000000005457 -0.506459162501994 -0.000000000004856  0.428998863241181
   14  -0.000000000004771  0.747935182530491 -0.000000000054848 -0.338574529021312  0.000000000029564
   15   1.526127893595165 -0.000000000021055  0.758646845656266 -0.000000000006500  0.315702501085164
   16  -0.000000000021255  2.271454591214564 -0.000000000042135  0.674329826857407  0.000000000028511
   17   0.761355216634293 -0.000000000042392  3.083185144703869  0.000000000006554 -0.629678244199731
   18  -0.000000000006686  0.673604326968962  0.000000000006585  1.569092453706468  0.000000000005565
   19   0.315554245868821  0.000000000028468 -0.626950794889030  0.000000000005668  2.433662211583047
   20   0.000000000010050  0.310434033675237  0.000000000015642 -0.480215575582840  0.000000000006420
   21  -0.080726275430906 -0.000000000002581 -0.263533536757657 -0.000000000034205 -0.786824425705390

               20                 21        

    0   0.000000000002465 -0.027411874754156
    1   0.050868804571734 -0.000000000000008
    2  -0.000000000012888  0.127738846554722
    3  -0.208319679902352  0.000000000000869
    4   0.020447329773217 -0.000000000005842
    5  -0.000000000005105  0.022308721529780
    6  -0.045957003062926 -0.000000000017912
    7   0.000000000005152 -0.020723135597783
    8  -0.015397305778899  0.000000000007340
    9   0.000000000012509 -0.038129591719242
   10  -0.057175844004053 -0.000000000009330
   11  -0.000000000015639  0.189488031358407
   12  -0.053067632584282 -0.000000000014796
   13  -0.000000000006949  0.212055493281402
   14   0.188335678102336  0.000000000016934
   15   0.000000000009730 -0.081164842961377
   16   0.310821572608288 -0.000000000002708
   17   0.000000000015683 -0.262518493747950
   18  -0.478499093529751 -0.000000000034322
   19   0.000000000006391 -0.786417399437013
   20   2.751550192351035  0.000000000036125
   21   0.000000000035846  1.953738742625140
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0001898671814
Norm of residual vector 0  after precondition    0.0001898671814
                     1   0.2492849380  -4.53e-07    1.90e-04      N
Norm of residual vector af preconditioning    0.0000904079840
Norm of final new C in schmidt_add():    1.000000000000001
Norm of residual vector 1  before precondition    0.0000387112732
Norm of residual vector 1  after precondition    0.0000387112732
                     2   0.2534597898   1.01e-08    3.87e-05      N
Norm of residual vector af preconditioning    0.0000237340191
Norm of final new C in schmidt_add():    1.000000000000000
Iter=12   L=24  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.384058284990703 -0.000000000000001 -0.593670675288231 -0.000000000000706  0.000000000000169
    1  -0.000000000000000  0.390837374980607 -0.000000000000073 -0.545641550215391  0.007598157809497
    2  -0.594820303229948  0.000000000000087  3.012239802228747  0.000000000002795 -0.000000000001532
    3  -0.000000000000602 -0.547633414258446  0.000000000002795  2.457735499775271 -0.216991778568195
    4   0.000000000000141  0.007290797131934 -0.000000000001135 -0.214021293358622  0.790500778374233
    5  -0.018684983962848 -0.000000000000121  0.322814319757324  0.000000000001086 -0.000000000006681
    6   0.000000000000396 -0.024112490990681 -0.000000000003950  0.081184975148993  0.646565733150177
    7   0.027313045985853 -0.000000000000174 -0.053863189586473  0.000000000000712 -0.000000000001158
    8  -0.000000000001098  0.012560051297978  0.000000000007430 -0.120135372448564  0.139641158113396
    9   0.020695683060127  0.000000000000518 -0.176410417186697 -0.000000000002071 -0.000000000007822
   10  -0.000000000002396 -0.005881503195125  0.000000000011879  0.002313879303879  0.138390123845531
   11  -0.023715056138148 -0.000000000000304  0.154307549075064  0.000000000001924 -0.000000000001228
   12  -0.000000000003828 -0.022814194112045  0.000000000018529  0.112879839905356  0.002749350983932
   13   0.002182213091469  0.000000000001118 -0.018752125276688 -0.000000000003993 -0.000000000004151
   14   0.000000000004361  0.021158622596370 -0.000000000021737 -0.106331262669955  0.069175916334530
   15   0.005316770041968  0.000000000001881 -0.036439497826954 -0.000000000008615  0.000000000004428
   16   0.000000000004835  0.003400403295466 -0.000000000024303 -0.003709775830168 -0.002591892983938
   17  -0.031802406957461  0.000000000002602  0.169929273846073 -0.000000000010015 -0.000000000003842
   18   0.000000000000941 -0.029166478967233 -0.000000000004064  0.124838993899792  0.015994856314583
   19   0.064341360686663  0.000000000000372 -0.305483699771909 -0.000000000002298  0.000000000000955
   20   0.000000000002533  0.049711915384671 -0.000000000012883 -0.208223198055475  0.020400506416554
   21  -0.026162231845830  0.000000000000186  0.127322982442597  0.000000000000536 -0.000000000005719
   22   0.000000000003714 -0.019869809561848 -0.000000000018641  0.072987259652039  0.013506556903375
   23   0.019108457716033 -0.000000000002008 -0.098275784103864  0.000000000009324 -0.000000000000919

                5                  6                  7                  8                  9        

    0  -0.021565356461266  0.000000000000125  0.022845285893909 -0.000000000001178  0.019542877113514
    1  -0.000000000000148 -0.023622667773218  0.000000000000247  0.011296230435731  0.000000000000691
    2   0.328276535028083 -0.000000000004041 -0.052287841900737  0.000000000007858 -0.178946264950489
    3   0.000000000001450  0.080801575584568  0.000000000000500 -0.122210878024269 -0.000000000001558
    4  -0.000000000006616  0.642964937048228 -0.000000000000620  0.141756895595585 -0.000000000007592
    5   1.569760868733853 -0.000000000008210  0.881719036780089  0.000000000011257 -0.211000024563500
    6  -0.000000000008717  2.650576468647910  0.000000000009089 -0.468076457194171 -0.000000000037413
    7   0.886103516581871  0.000000000008564  2.212464569630484  0.000000000004653  1.213719157915309
    8   0.000000000011355 -0.466559540466958  0.000000000004487  1.280579546637283  0.000000000014826
    9  -0.207755945860236 -0.000000000036845  1.214021083608073  0.000000000014832  2.120442589755682
   10  -0.000000000000286  0.246159072576924 -0.000000000005496  0.632768351084148 -0.000000000000598
   11   0.345902115153755  0.000000000001335  0.511513924661081  0.000000000013401 -0.155720668789728
   12   0.000000000003864  0.332587827021917  0.000000000014391 -0.134774030800559  0.000000000013381
   13  -0.019087016723278 -0.000000000018235  0.348935126014649  0.000000000002367  0.458490843170734
   14   0.000000000000391 -0.036171497960784  0.000000000029485  0.241856526117004  0.000000000030768
   15  -0.088462242142838 -0.000000000002681  0.049782499679454  0.000000000007050  0.329632098551061
   16  -0.000000000008074  0.049082044297686  0.000000000006847  0.047979605147013  0.000000000010867
   17   0.058803681079666 -0.000000000029317 -0.187848379821583  0.000000000023141 -0.232718276603693
   18   0.000000000004268  0.236599218643498  0.000000000014499 -0.216911107544084  0.000000000006410
   19  -0.024261231842843  0.000000000004920  0.180839680289567 -0.000000000006524  0.233991049657558
   20  -0.000000000005279 -0.045573719310480  0.000000000005170 -0.015459886352612  0.000000000012653
   21   0.022985514806002 -0.000000000018194 -0.020363592794730  0.000000000007198 -0.039823092017279
   22  -0.000000000005320  0.038626856393593  0.000000000012608  0.035125262664817  0.000000000021837
   23  -0.032438137768276  0.000000000008636  0.156682273451150 -0.000000000004072  0.268373658508561

               10                 11                 12                 13                 14        

    0  -0.000000000002487 -0.024103785395935 -0.000000000004170 -0.000116964376316  0.000000000004489
    1  -0.006552896092149 -0.000000000000561 -0.021792045809379  0.000000000000613  0.021068273310809
    2   0.000000000011734  0.155150515702673  0.000000000018910 -0.018770983741886 -0.000000000021285
    3   0.001740087013854  0.000000000001516  0.113623067069366 -0.000000000003956 -0.106158987576378
    4   0.138647604020392 -0.000000000001650  0.000346144420277 -0.000000000004598  0.068734070083914
    5  -0.000000000000485  0.344595245393776  0.000000000003479 -0.021540349514367  0.000000000000502
    6   0.244956995824563  0.000000000001233  0.331986872706565 -0.000000000017789 -0.036724352191166
    7  -0.000000000005557  0.508919647286973  0.000000000014285  0.347409673820393  0.000000000029566
    8   0.632580893954470  0.000000000013360 -0.136128694076626  0.000000000002328  0.243625902659841
    9  -0.000000000000364 -0.154211762796253  0.000000000013748  0.461751592605800  0.000000000030703
   10   2.057226025009247  0.000000000030775  1.176184730736529 -0.000000000031417  0.075027618870071
   11   0.000000000030647  2.166524678317318  0.000000000038175  0.961488845667112  0.000000000005229
   12   1.175079974655509  0.000000000038289  2.253649582224266 -0.000000000014954 -0.696172385241915
   13  -0.000000000031442  0.963019068303623 -0.000000000014936  2.363323732888481  0.000000000026481
   14   0.076456679450369  0.000000000005270 -0.697106440187168  0.000000000026500  1.486901974648241
   15  -0.000000000022650 -0.355610981745215 -0.000000000020351  0.671081202597384 -0.000000000004481
   16   0.394593989947687  0.000000000012001  0.467521420552167  0.000000000005634  0.748273211674105
   17  -0.000000000003398 -0.201352058609049 -0.000000000002646 -0.505362954951399 -0.000000000054988
   18  -0.017856033118838  0.000000000000958  0.440572867780587 -0.000000000004804 -0.338988007879431
   19  -0.000000000001081  0.009270218845799 -0.000000000008659  0.428437672152790  0.000000000029233
   20  -0.056851115728663 -0.000000000015620 -0.052902749765506 -0.000000000007107  0.188821819450647
   21  -0.000000000009089  0.189412003352321 -0.000000000014633  0.212749663252451  0.000000000017200
   22   0.348090762765028 -0.000000000028757  0.529962825411330 -0.000000000060396 -0.058215379083904
   23  -0.000000000010346 -0.179370773878792 -0.000000000010481 -0.099925893317867 -0.000000000011092

               15                 16                 17                 18                 19        

    0   0.003503570997100  0.000000000005202 -0.034168143739706  0.000000000000915  0.068052146659635
    1   0.000000000001926  0.003460237527559  0.000000000002299 -0.029768948932757  0.000000000000259
    2  -0.035890689062197 -0.000000000024535  0.170066699607292 -0.000000000003683 -0.305271833377729
    3  -0.000000000009244 -0.003591376724515 -0.000000000009773  0.124354097959439 -0.000000000002063
    4   0.000000000004170 -0.002454719942240 -0.000000000004278  0.015494712605289  0.000000000001056
    5  -0.089523402616668 -0.000000000008068  0.057915275562935  0.000000000004302 -0.024229813660822
    6  -0.000000000002520  0.049543700244620 -0.000000000029053  0.235644913182844  0.000000000004821
    7   0.050065348340370  0.000000000006840 -0.188507126786356  0.000000000014465  0.179977488635637
    8   0.000000000007239  0.048151885498634  0.000000000023426 -0.216697527850782 -0.000000000006773
    9   0.330811085000265  0.000000000010714 -0.231252178655883  0.000000000006515  0.233966769455107
   10  -0.000000000022545  0.394008178014088 -0.000000000003649 -0.018467496230350 -0.000000000001010
   11  -0.353786273026868  0.000000000011834 -0.199792307971624  0.000000000001040  0.008679532944723
   12  -0.000000000020124  0.467781624861530 -0.000000000002864  0.441495169059526 -0.000000000008857
   13   0.672122500435274  0.000000000005457 -0.506459162501994 -0.000000000004856  0.428998863241181
   14  -0.000000000004771  0.747935182530491 -0.000000000054848 -0.338574529021312  0.000000000029564
   15   1.526127893595165 -0.000000000021055  0.758646845656266 -0.000000000006500  0.315702501085164
   16  -0.000000000021255  2.271454591214564 -0.000000000042135  0.674329826857407  0.000000000028511
   17   0.761355216634293 -0.000000000042392  3.083185144703869  0.000000000006554 -0.629678244199731
   18  -0.000000000006686  0.673604326968962  0.000000000006585  1.569092453706468  0.000000000005565
   19   0.315554245868821  0.000000000028468 -0.626950794889030  0.000000000005668  2.433662211583047
   20   0.000000000010050  0.310434033675237  0.000000000015642 -0.480215575582840  0.000000000006420
   21  -0.080726275430906 -0.000000000002581 -0.263533536757657 -0.000000000034205 -0.786824425705390
   22  -0.000000000030030  0.624320006935449 -0.000000000018789  0.496591948655664 -0.000000000014993
   23  -0.032951222793410 -0.000000000052526 -0.327870506679138 -0.000000000015797  0.173842358759899

               20                 21                 22                 23        

    0   0.000000000002465 -0.027411874754156  0.000000000003911  0.021055316590506
    1   0.050868804571734 -0.000000000000008 -0.020168768137726 -0.000000000001880
    2  -0.000000000012888  0.127738846554722 -0.000000000018753 -0.097756075912382
    3  -0.208319679902352  0.000000000000869  0.073117400175669  0.000000000009040
    4   0.020447329773217 -0.000000000005842  0.014717093598378 -0.000000000000986
    5  -0.000000000005105  0.022308721529780 -0.000000000005043 -0.031303078747239
    6  -0.045957003062926 -0.000000000017912  0.039280241228526  0.000000000008394
    7   0.000000000005152 -0.020723135597783  0.000000000012952  0.156250371094128
    8  -0.015397305778899  0.000000000007340  0.034877755530852 -0.000000000003913
    9   0.000000000012509 -0.038129591719242  0.000000000021860  0.269056919019819
   10  -0.057175844004053 -0.000000000009330  0.346566651574398 -0.000000000010376
   11  -0.000000000015639  0.189488031358407 -0.000000000028642 -0.178529276820254
   12  -0.053067632584282 -0.000000000014796  0.531203151170268 -0.000000000010795
   13  -0.000000000006949  0.212055493281402 -0.000000000060179 -0.099175277788862
   14   0.188335678102336  0.000000000016934 -0.057708262154617 -0.000000000010977
   15   0.000000000009730 -0.081164842961377 -0.000000000029879 -0.032386413908487
   16   0.310821572608288 -0.000000000002708  0.623241996390266 -0.000000000051949
   17   0.000000000015683 -0.262518493747950 -0.000000000018746 -0.328237762845982
   18  -0.478499093529751 -0.000000000034322  0.496070170259551 -0.000000000015646
   19   0.000000000006391 -0.786417399437013 -0.000000000014793  0.175045448561704
   20   2.751550192351035  0.000000000036125  0.702166309480149 -0.000000000103215
   21   0.000000000035846  1.953738742625140  0.000000000047539  0.958566123131877
   22   0.701517648061530  0.000000000047762  2.228185515954760 -0.000000000049495
   23  -0.000000000103164  0.959313138255085 -0.000000000049991  1.870120371858812
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000608292930
Norm of residual vector 0  after precondition    0.0000608292930
                     1   0.2492848853  -5.27e-08    6.08e-05      N
Norm of residual vector af preconditioning    0.0000251165381
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0000257137859
Norm of residual vector 1  after precondition    0.0000257137859
                     2   0.2534597381  -5.18e-08    2.57e-05      N
Norm of residual vector af preconditioning    0.0000131062274
Norm of final new C in schmidt_add():    1.000000000000001
alpha

           1           2           3           4           5           6           7           8           9          10

    1  -0.0000000   0.9721958   0.0000000  -0.0936889   0.0000000  -0.0234698   0.0101822  -0.0000000  -0.0000000   0.0403100
    2   0.9556601   0.0000000  -0.0612703  -0.0000000  -0.1262208   0.0000000   0.0000000   0.0852195   0.0465510   0.0000000
    3  -0.0000000   0.2174818   0.0000000   0.0267849  -0.0000000   0.0098930  -0.0018993   0.0000000   0.0000000  -0.0852681
    4   0.2512028   0.0000000  -0.0038948   0.0000000   0.0277949  -0.0000000  -0.0000000  -0.0412943  -0.0682851  -0.0000000
    5   0.1433493  -0.0000000   0.2155237   0.0000000   0.6277908  -0.0000000  -0.0000000  -0.5671231  -0.2739934  -0.0000000
    6   0.0000000  -0.0701110   0.0000000  -0.4764175  -0.0000000  -0.2221675   0.1138292  -0.0000000  -0.0000000   0.5192102
    7  -0.0434552  -0.0000000  -0.0935983  -0.0000000  -0.3181983  -0.0000000   0.0000000   0.0902374   0.0005884  -0.0000000
    8   0.0000000   0.0424468  -0.0000000   0.6055281   0.0000000   0.1762083  -0.0902403   0.0000000   0.0000000   0.0492462
    9  -0.0297074   0.0000000  -0.3339206   0.0000000  -0.4118456   0.0000000  -0.0000000  -0.2198882  -0.5090220  -0.0000000
   10   0.0000000  -0.0268350   0.0000000  -0.5072162  -0.0000000  -0.1788951  -0.0465785   0.0000000  -0.0000000  -0.2714987
   11   0.0131273  -0.0000000   0.3754977   0.0000000   0.1744830  -0.0000000   0.0000000   0.4760009   0.0242358   0.0000000
   12  -0.0000000  -0.0087604   0.0000000  -0.2580987   0.0000000   0.3427138  -0.0648079   0.0000000   0.0000000  -0.5039240
   13  -0.0083909   0.0000000  -0.4702567  -0.0000000   0.0658592  -0.0000000  -0.0000000  -0.3216912   0.1506090   0.0000000
   14   0.0000000   0.0040155   0.0000000   0.2000852  -0.0000000  -0.4105630   0.2998518  -0.0000000   0.0000000   0.2261267
   15  -0.0060017   0.0000000  -0.5365635  -0.0000000   0.3525163  -0.0000000   0.0000000   0.1347484   0.3396388  -0.0000000
   16  -0.0000000  -0.0024790  -0.0000000  -0.1637719   0.0000000   0.6611313  -0.1105645   0.0000000   0.0000000   0.3751108
   17   0.0030060  -0.0000000   0.3415068   0.0000000  -0.2777716   0.0000000  -0.0000000  -0.2447747  -0.0666913   0.0000000
   18  -0.0000000   0.0007485  -0.0000000   0.0754513  -0.0000000  -0.2927782  -0.0109844   0.0000000   0.0000000  -0.2934312
   19  -0.0017587   0.0000000  -0.2409825  -0.0000000   0.2732265  -0.0000000   0.0000000   0.4210705  -0.5287603  -0.0000000
   20  -0.0000000   0.0002221  -0.0000000   0.0166827  -0.0000000  -0.1867546  -0.3656973   0.0000000   0.0000000  -0.2038476
   21  -0.0003972   0.0000000  -0.0638491  -0.0000000   0.0749474   0.0000000   0.0000000   0.1460103  -0.3124707  -0.0000000
   22  -0.0000000   0.0000990  -0.0000000   0.0105638  -0.0000000  -0.1737701  -0.6490370   0.0000000   0.0000000   0.1028353
   23   0.0001229  -0.0000000   0.0264619   0.0000000  -0.0427923   0.0000000   0.0000000  -0.0784658   0.3724190  -0.0000000
   24  -0.0000000  -0.0000415  -0.0000000   0.0067657   0.0000000   0.1141854   0.5614115  -0.0000000  -0.0000000  -0.2477438

          11          12          13          14          15          16          17          18          19          20

    1  -0.0000000   0.0326143  -0.0000000   0.1107151  -0.0000000   0.0000000   0.0834412   0.0000000   0.0671566   0.0060281
    2   0.0189504   0.0000000   0.1385639   0.0000000   0.0429127  -0.1723552   0.0000000  -0.0412135  -0.0000000   0.0000000
    3  -0.0000000  -0.0586741   0.0000000  -0.4541683   0.0000000  -0.0000000  -0.4021571  -0.0000000  -0.3229791  -0.0332674
    4  -0.0029876  -0.0000000  -0.5274252  -0.0000000  -0.1857722   0.7175110  -0.0000000   0.1800754   0.0000000  -0.0000000
    5  -0.2025185  -0.0000000  -0.0973528   0.0000000   0.0842887  -0.1405741   0.0000000  -0.2406116  -0.0000000  -0.0000000
    6  -0.0000000   0.4189576  -0.0000000   0.3475421  -0.0000000  -0.0000000  -0.1937619  -0.0000000  -0.0075169  -0.1111463
    7  -0.1007529  -0.0000000  -0.2209724   0.0000000   0.1279317  -0.0387431   0.0000000  -0.8011902  -0.0000000  -0.0000000
    8   0.0000000   0.0329867  -0.0000000   0.3118319  -0.0000000  -0.0000000  -0.3034429  -0.0000000   0.2896966  -0.2825225
    9  -0.3898209  -0.0000000  -0.2918723   0.0000000   0.0565090  -0.2591823   0.0000000   0.2843274   0.0000000   0.0000000
   10   0.0000000  -0.4365172  -0.0000000  -0.1626131   0.0000000  -0.0000000  -0.2416823  -0.0000000   0.3911186  -0.2507008
   11  -0.0702874  -0.0000000  -0.4105363  -0.0000000  -0.0618090  -0.4177970   0.0000000   0.2288492   0.0000000  -0.0000000
   12  -0.0000000   0.1235445   0.0000000   0.3331937  -0.0000000   0.0000000   0.3953992   0.0000000  -0.2665237  -0.0156584
   13   0.3834477  -0.0000000   0.0922024  -0.0000000  -0.2882900  -0.1842120   0.0000000   0.1443483   0.0000000  -0.0000000
   14  -0.0000000  -0.1214602   0.0000000  -0.2828823   0.0000000   0.0000000   0.5235615   0.0000000  -0.1880841  -0.1605441
   15  -0.0136490  -0.0000000  -0.3559946   0.0000000   0.4860668   0.0118508  -0.0000000  -0.0197308  -0.0000000   0.0000000
   16  -0.0000000   0.0893153  -0.0000000  -0.4065844   0.0000000   0.0000000   0.1926536  -0.0000000   0.1027530  -0.3934217
   17   0.3470027   0.0000000   0.0139768   0.0000000   0.5749297   0.1925477  -0.0000000   0.0941967  -0.0000000   0.0000000
   18   0.0000000   0.2568766  -0.0000000   0.0197584   0.0000000   0.0000000   0.2167130  -0.0000000   0.2475122  -0.6384575
   19  -0.0891283   0.0000000   0.4257841   0.0000000   0.2429315   0.2367641  -0.0000000   0.0429495   0.0000000  -0.0000000
   20  -0.0000000   0.5240332  -0.0000000  -0.2614850   0.0000000  -0.0000000  -0.2196585   0.0000000  -0.3442746  -0.1340718
   21   0.2574597   0.0000000  -0.1109431  -0.0000000  -0.4490099   0.0973897  -0.0000000  -0.3175885  -0.0000000   0.0000000
   22  -0.0000000   0.1343013   0.0000000  -0.1664112   0.0000000   0.0000000   0.2804100  -0.0000000   0.4159092   0.3809494
   23  -0.6706025   0.0000000   0.2481080  -0.0000000  -0.1504015   0.2361962  -0.0000000   0.0073948   0.0000000   0.0000000
   24   0.0000000   0.4813590  -0.0000000  -0.2901670   0.0000000  -0.0000000  -0.0431145  -0.0000000   0.4295157   0.3038219

          21          22          23          24

    1  -0.0000000  -0.1388390   0.0000000  -0.0327520
    2   0.0648125  -0.0000000  -0.0150794   0.0000000
    3   0.0000000   0.6711437  -0.0000000   0.1488106
    4  -0.2650634   0.0000000   0.0583699  -0.0000000
    5  -0.0397282   0.0000000   0.0588952   0.0000000
    6   0.0000000   0.2772809  -0.0000000  -0.1001459
    7  -0.3234211   0.0000000   0.2375984   0.0000000
    8   0.0000000   0.2172567  -0.0000000  -0.4338652
    9   0.1309204  -0.0000000   0.0184029  -0.0000000
   10   0.0000000  -0.0306209  -0.0000000  -0.3770647
   11  -0.0762645   0.0000000   0.4337866  -0.0000000
   12   0.0000000   0.3515626   0.0000000  -0.2823746
   13  -0.2487225   0.0000000   0.5406219  -0.0000000
   14   0.0000000   0.1410197  -0.0000000  -0.4495035
   15   0.3044739  -0.0000000  -0.0423286  -0.0000000
   16   0.0000000  -0.0684936  -0.0000000  -0.0261595
   17   0.2654913  -0.0000000   0.4208398  -0.0000000
   18   0.0000000   0.1125591  -0.0000000   0.4773143
   19  -0.1887501   0.0000000   0.2613446  -0.0000000
   20  -0.0000000  -0.3867358  -0.0000000  -0.3315325
   21   0.6800636  -0.0000000   0.1377495   0.0000000
   22  -0.0000000   0.3058593  -0.0000000  -0.0335695
   23   0.2706267  -0.0000000   0.4353029   0.0000000
   24  -0.0000000   0.0361779  -0.0000000  -0.1224497
alpha_old

           1           2           3           4           5           6           7           8           9          10

    1  -0.0000000  -0.9721955   0.0000000   0.0937228   0.0000000   0.0251329  -0.0000000   0.0199191  -0.0000000  -0.0403319
    2   0.9556593  -0.0000000  -0.0624882   0.0000000  -0.1265968  -0.0000000   0.0850251   0.0000000   0.0469353  -0.0000000
    3  -0.0000000  -0.2174825   0.0000000  -0.0266788  -0.0000000  -0.0092989   0.0000000  -0.0467752   0.0000000   0.0725305
    4   0.2512080  -0.0000000  -0.0026422  -0.0000000   0.0265944  -0.0000000  -0.0457062  -0.0000000  -0.0596602   0.0000000
    5   0.1433498   0.0000000   0.2202160  -0.0000000   0.6350228   0.0000000  -0.5640915  -0.0000000  -0.3049900   0.0000000
    6   0.0000000   0.0701112   0.0000000   0.4764099   0.0000000   0.2377624  -0.0000000   0.2445736  -0.0000000  -0.5534679
    7  -0.0434604   0.0000000  -0.0971999   0.0000000  -0.3182213   0.0000000   0.0849564  -0.0000000  -0.0224567   0.0000000
    8   0.0000000  -0.0424463  -0.0000000  -0.6056745  -0.0000000  -0.1909971  -0.0000000  -0.0171211   0.0000000  -0.0616486
    9  -0.0296948  -0.0000000  -0.3367931  -0.0000000  -0.4101245  -0.0000000  -0.2487538  -0.0000000  -0.5870641  -0.0000000
   10   0.0000000   0.0268414   0.0000000   0.5061268  -0.0000000   0.1691839  -0.0000000  -0.1246116   0.0000000   0.3493406
   11   0.0131323   0.0000000   0.3823797  -0.0000000   0.1569991   0.0000000   0.4758601   0.0000000  -0.0050636  -0.0000000
   12  -0.0000000   0.0087566   0.0000000   0.2590655   0.0000000  -0.3445175  -0.0000000  -0.2624632   0.0000000   0.3980841
   13  -0.0083636  -0.0000000  -0.4698549   0.0000000   0.0761744   0.0000000  -0.3202696   0.0000000   0.2908010  -0.0000000
   14   0.0000000  -0.0040223   0.0000000  -0.1992182  -0.0000000   0.4529312   0.0000000   0.3364603  -0.0000000  -0.0449086
   15  -0.0059793  -0.0000000  -0.5357004   0.0000000   0.3640795   0.0000000   0.1697446   0.0000000   0.3055383   0.0000000
   16  -0.0000000   0.0024755  -0.0000000   0.1650562   0.0000000  -0.6710199  -0.0000000   0.1524797  -0.0000000  -0.3668555
   17   0.0029987   0.0000000   0.3416777  -0.0000000  -0.2850861  -0.0000000  -0.2740496   0.0000000   0.0941551  -0.0000000
   18  -0.0000000  -0.0007465  -0.0000000  -0.0762221   0.0000000   0.2900507   0.0000000  -0.2648824   0.0000000   0.1010470
   19  -0.0016923  -0.0000000  -0.2262607   0.0000000   0.2510267  -0.0000000   0.3962603  -0.0000000  -0.5690719  -0.0000000
   20  -0.0000000  -0.0002054  -0.0000000  -0.0200038  -0.0000000   0.1256276  -0.0000000  -0.5623539   0.0000000  -0.2239698
   21  -0.0003496  -0.0000000  -0.0531541   0.0000000   0.0570223  -0.0000000   0.1158979  -0.0000000  -0.2131144   0.0000000
   22  -0.0000000  -0.0000662   0.0000000  -0.0166000   0.0000000   0.0602449   0.0000000  -0.5744831   0.0000000  -0.4533242

          11          12          13          14          15          16          17          18          19          20

    1   0.0000000   0.0800017   0.0000000   0.0000000  -0.0539467  -0.1213473   0.0000000   0.0000000   0.0147970   0.1394455
    2  -0.0853483  -0.0000000   0.1416787   0.1432150  -0.0000000   0.0000000  -0.0386283  -0.0816705  -0.0000000   0.0000000
    3  -0.0000000  -0.2847220  -0.0000000  -0.0000000   0.2708426   0.5585316  -0.0000000  -0.0000000  -0.0696088  -0.6744415
    4   0.2935336   0.0000000  -0.5854165  -0.5891565   0.0000000  -0.0000000   0.1692350   0.3386134   0.0000000  -0.0000000
    5   0.1794088  -0.0000000   0.1082307   0.0760332  -0.0000000  -0.0000000  -0.2380614  -0.0238159  -0.0000000   0.0000000
    6   0.0000000   0.4325038   0.0000000   0.0000000   0.2331738  -0.0570530  -0.0000000  -0.0000000   0.0775558  -0.2838481
    7   0.2710992  -0.0000000   0.0726746  -0.0405846  -0.0000000  -0.0000000  -0.8000339   0.1629573  -0.0000000   0.0000000
    8   0.0000000   0.1527158   0.0000000   0.0000000   0.3797530  -0.2763005  -0.0000000  -0.0000000   0.3216646  -0.2300266
    9   0.3988192  -0.0000000   0.0628214   0.1528352  -0.0000000   0.0000000   0.2895314  -0.1923499   0.0000000  -0.0000000
   10   0.0000000  -0.4480908  -0.0000000   0.0000000   0.2648623  -0.2003785   0.0000000  -0.0000000   0.3548916   0.0221815
   11   0.4105192  -0.0000000  -0.0710295   0.2853178  -0.0000000   0.0000000   0.2376214  -0.2173502   0.0000000   0.0000000
   12  -0.0000000   0.4670050   0.0000000  -0.0000000  -0.3654517  -0.0169462   0.0000000   0.0000000  -0.1229962  -0.3591972
   13  -0.2569137  -0.0000000  -0.2242631   0.2478036  -0.0000000   0.0000000   0.1474578  -0.0100165   0.0000000  -0.0000000
   14  -0.0000000  -0.1717548  -0.0000000  -0.0000000  -0.5813235   0.1739624  -0.0000000   0.0000000   0.0669293  -0.1545141
   15   0.3996918  -0.0000000   0.2671956  -0.3184292   0.0000000   0.0000000  -0.0153842  -0.3419755  -0.0000000   0.0000000
   16   0.0000000  -0.2589455  -0.0000000  -0.0000000  -0.2669782   0.1855219  -0.0000000  -0.0000000   0.4327192   0.0509768
   17  -0.1565354  -0.0000000   0.2921030  -0.5377386   0.0000000   0.0000000   0.0978325  -0.4522995  -0.0000000   0.0000000
   18   0.0000000   0.2179917   0.0000000  -0.0000000  -0.2248896  -0.0105775  -0.0000000  -0.0000000   0.7089573  -0.1388901
   19  -0.4168030  -0.0000000   0.2427410  -0.2611970   0.0000000  -0.0000000   0.0393143   0.1448509   0.0000000   0.0000000
   20   0.0000000   0.1595155  -0.0000000   0.0000000   0.0962160   0.5646096  -0.0000000   0.0000000   0.0559696   0.3746236
   21  -0.2220415   0.0000000  -0.5876160   0.0008344  -0.0000000  -0.0000000  -0.3158326  -0.6516938  -0.0000000   0.0000000
   22   0.0000000  -0.3372748  -0.0000000  -0.0000000  -0.2289049  -0.4119518   0.0000000  -0.0000000  -0.2165596  -0.2767319

          21          22

    1   0.0000000   0.0322693
    2   0.0283282   0.0000000
    3  -0.0000000  -0.1460292
    4  -0.1118661  -0.0000000
    5  -0.0843453   0.0000000
    6  -0.0000000   0.1055457
    7  -0.3634025   0.0000000
    8   0.0000000   0.4379432
    9   0.0063520   0.0000000
   10   0.0000000   0.3737318
   11  -0.4918156   0.0000000
   12  -0.0000000   0.2972272
   13  -0.6215091   0.0000000
   14   0.0000000   0.4651194
   15   0.1159724   0.0000000
   16   0.0000000   0.0361422
   17  -0.3297907   0.0000000
   18   0.0000000  -0.4591264
   19  -0.2849006   0.0000000
   20   0.0000000   0.3435514
   21   0.1262203   0.0000000
   22   0.0000000  -0.0146159
alpha_tot

           1           2           3           4           5           6           7           8           9          10

    1  -0.0000000   0.9721958  -0.0000000  -0.9721955   0.0000000  -0.0936889   0.0000000  -0.0234698   0.0101822  -0.0000000
    2   0.9556601   0.0000000   0.9556593  -0.0000000  -0.0612703  -0.0000000  -0.1262208   0.0000000   0.0000000   0.0852195
    3  -0.0000000   0.2174818  -0.0000000  -0.2174825   0.0000000   0.0267849  -0.0000000   0.0098930  -0.0018993   0.0000000
    4   0.2512028   0.0000000   0.2512080  -0.0000000  -0.0038948   0.0000000   0.0277949  -0.0000000  -0.0000000  -0.0412943
    5   0.1433493  -0.0000000   0.1433498   0.0000000   0.2155237   0.0000000   0.6277908  -0.0000000  -0.0000000  -0.5671231
    6   0.0000000  -0.0701110   0.0000000   0.0701112   0.0000000  -0.4764175  -0.0000000  -0.2221675   0.1138292  -0.0000000
    7  -0.0434552  -0.0000000  -0.0434604   0.0000000  -0.0935983  -0.0000000  -0.3181983  -0.0000000   0.0000000   0.0902374
    8   0.0000000   0.0424468   0.0000000  -0.0424463  -0.0000000   0.6055281   0.0000000   0.1762083  -0.0902403   0.0000000
    9  -0.0297074   0.0000000  -0.0296948  -0.0000000  -0.3339206   0.0000000  -0.4118456   0.0000000  -0.0000000  -0.2198882
   10   0.0000000  -0.0268350   0.0000000   0.0268414   0.0000000  -0.5072162  -0.0000000  -0.1788951  -0.0465785   0.0000000
   11   0.0131273  -0.0000000   0.0131323   0.0000000   0.3754977   0.0000000   0.1744830  -0.0000000   0.0000000   0.4760009
   12  -0.0000000  -0.0087604  -0.0000000   0.0087566   0.0000000  -0.2580987   0.0000000   0.3427138  -0.0648079   0.0000000
   13  -0.0083909   0.0000000  -0.0083636  -0.0000000  -0.4702567  -0.0000000   0.0658592  -0.0000000  -0.0000000  -0.3216912
   14   0.0000000   0.0040155   0.0000000  -0.0040223   0.0000000   0.2000852  -0.0000000  -0.4105630   0.2998518  -0.0000000
   15  -0.0060017   0.0000000  -0.0059793  -0.0000000  -0.5365635  -0.0000000   0.3525163  -0.0000000   0.0000000   0.1347484
   16  -0.0000000  -0.0024790  -0.0000000   0.0024755  -0.0000000  -0.1637719   0.0000000   0.6611313  -0.1105645   0.0000000
   17   0.0030060  -0.0000000   0.0029987   0.0000000   0.3415068   0.0000000  -0.2777716   0.0000000  -0.0000000  -0.2447747
   18  -0.0000000   0.0007485  -0.0000000  -0.0007465  -0.0000000   0.0754513  -0.0000000  -0.2927782  -0.0109844   0.0000000
   19  -0.0017587   0.0000000  -0.0016923  -0.0000000  -0.2409825  -0.0000000   0.2732265  -0.0000000   0.0000000   0.4210705
   20  -0.0000000   0.0002221  -0.0000000  -0.0002054  -0.0000000   0.0166827  -0.0000000  -0.1867546  -0.3656973   0.0000000
   21  -0.0003972   0.0000000  -0.0003496  -0.0000000  -0.0638491  -0.0000000   0.0749474   0.0000000   0.0000000   0.1460103
   22  -0.0000000   0.0000990  -0.0000000  -0.0000662  -0.0000000   0.0105638  -0.0000000  -0.1737701  -0.6490370   0.0000000
   23   0.0001229  -0.0000000   0.0000000   0.0000000   0.0264619   0.0000000  -0.0427923   0.0000000   0.0000000  -0.0784658
   24  -0.0000000  -0.0000415   0.0000000   0.0000000  -0.0000000   0.0067657   0.0000000   0.1141854   0.5614115  -0.0000000

          11          12          13          14          15          16          17          18          19          20

    1  -0.0000000   0.0403100  -0.0000000   0.0326143  -0.0000000   0.1107151  -0.0000000   0.0000000   0.0834412   0.0000000
    2   0.0465510   0.0000000   0.0189504   0.0000000   0.1385639   0.0000000   0.0429127  -0.1723552   0.0000000  -0.0412135
    3   0.0000000  -0.0852681  -0.0000000  -0.0586741   0.0000000  -0.4541683   0.0000000  -0.0000000  -0.4021571  -0.0000000
    4  -0.0682851  -0.0000000  -0.0029876  -0.0000000  -0.5274252  -0.0000000  -0.1857722   0.7175110  -0.0000000   0.1800754
    5  -0.2739934  -0.0000000  -0.2025185  -0.0000000  -0.0973528   0.0000000   0.0842887  -0.1405741   0.0000000  -0.2406116
    6  -0.0000000   0.5192102  -0.0000000   0.4189576  -0.0000000   0.3475421  -0.0000000  -0.0000000  -0.1937619  -0.0000000
    7   0.0005884  -0.0000000  -0.1007529  -0.0000000  -0.2209724   0.0000000   0.1279317  -0.0387431   0.0000000  -0.8011902
    8   0.0000000   0.0492462   0.0000000   0.0329867  -0.0000000   0.3118319  -0.0000000  -0.0000000  -0.3034429  -0.0000000
    9  -0.5090220  -0.0000000  -0.3898209  -0.0000000  -0.2918723   0.0000000   0.0565090  -0.2591823   0.0000000   0.2843274
   10  -0.0000000  -0.2714987   0.0000000  -0.4365172  -0.0000000  -0.1626131   0.0000000  -0.0000000  -0.2416823  -0.0000000
   11   0.0242358   0.0000000  -0.0702874  -0.0000000  -0.4105363  -0.0000000  -0.0618090  -0.4177970   0.0000000   0.2288492
   12   0.0000000  -0.5039240  -0.0000000   0.1235445   0.0000000   0.3331937  -0.0000000   0.0000000   0.3953992   0.0000000
   13   0.1506090   0.0000000   0.3834477  -0.0000000   0.0922024  -0.0000000  -0.2882900  -0.1842120   0.0000000   0.1443483
   14   0.0000000   0.2261267  -0.0000000  -0.1214602   0.0000000  -0.2828823   0.0000000   0.0000000   0.5235615   0.0000000
   15   0.3396388  -0.0000000  -0.0136490  -0.0000000  -0.3559946   0.0000000   0.4860668   0.0118508  -0.0000000  -0.0197308
   16   0.0000000   0.3751108  -0.0000000   0.0893153  -0.0000000  -0.4065844   0.0000000   0.0000000   0.1926536  -0.0000000
   17  -0.0666913   0.0000000   0.3470027   0.0000000   0.0139768   0.0000000   0.5749297   0.1925477  -0.0000000   0.0941967
   18   0.0000000  -0.2934312   0.0000000   0.2568766  -0.0000000   0.0197584   0.0000000   0.0000000   0.2167130  -0.0000000
   19  -0.5287603  -0.0000000  -0.0891283   0.0000000   0.4257841   0.0000000   0.2429315   0.2367641  -0.0000000   0.0429495
   20   0.0000000  -0.2038476  -0.0000000   0.5240332  -0.0000000  -0.2614850   0.0000000  -0.0000000  -0.2196585   0.0000000
   21  -0.3124707  -0.0000000   0.2574597   0.0000000  -0.1109431  -0.0000000  -0.4490099   0.0973897  -0.0000000  -0.3175885
   22   0.0000000   0.1028353  -0.0000000   0.1343013   0.0000000  -0.1664112   0.0000000   0.0000000   0.2804100  -0.0000000
   23   0.3724190  -0.0000000  -0.6706025   0.0000000   0.2481080  -0.0000000  -0.1504015   0.2361962  -0.0000000   0.0073948
   24  -0.0000000  -0.2477438   0.0000000   0.4813590  -0.0000000  -0.2901670   0.0000000  -0.0000000  -0.0431145  -0.0000000

          21          22          23          24          25          26          27          28          29          30

    1   0.0671566   0.0060281  -0.0000000  -0.1388390   0.0000000  -0.0327520   0.0000000   0.0937228   0.0000000   0.0251329
    2  -0.0000000   0.0000000   0.0648125  -0.0000000  -0.0150794   0.0000000  -0.0624882   0.0000000  -0.1265968  -0.0000000
    3  -0.3229791  -0.0332674   0.0000000   0.6711437  -0.0000000   0.1488106   0.0000000  -0.0266788  -0.0000000  -0.0092989
    4   0.0000000  -0.0000000  -0.2650634   0.0000000   0.0583699  -0.0000000  -0.0026422  -0.0000000   0.0265944  -0.0000000
    5  -0.0000000  -0.0000000  -0.0397282   0.0000000   0.0588952   0.0000000   0.2202160  -0.0000000   0.6350228   0.0000000
    6  -0.0075169  -0.1111463   0.0000000   0.2772809  -0.0000000  -0.1001459   0.0000000   0.4764099   0.0000000   0.2377624
    7  -0.0000000  -0.0000000  -0.3234211   0.0000000   0.2375984   0.0000000  -0.0971999   0.0000000  -0.3182213   0.0000000
    8   0.2896966  -0.2825225   0.0000000   0.2172567  -0.0000000  -0.4338652  -0.0000000  -0.6056745  -0.0000000  -0.1909971
    9   0.0000000   0.0000000   0.1309204  -0.0000000   0.0184029  -0.0000000  -0.3367931  -0.0000000  -0.4101245  -0.0000000
   10   0.3911186  -0.2507008   0.0000000  -0.0306209  -0.0000000  -0.3770647   0.0000000   0.5061268  -0.0000000   0.1691839
   11   0.0000000  -0.0000000  -0.0762645   0.0000000   0.4337866  -0.0000000   0.3823797  -0.0000000   0.1569991   0.0000000
   12  -0.2665237  -0.0156584   0.0000000   0.3515626   0.0000000  -0.2823746   0.0000000   0.2590655   0.0000000  -0.3445175
   13   0.0000000  -0.0000000  -0.2487225   0.0000000   0.5406219  -0.0000000  -0.4698549   0.0000000   0.0761744   0.0000000
   14  -0.1880841  -0.1605441   0.0000000   0.1410197  -0.0000000  -0.4495035   0.0000000  -0.1992182  -0.0000000   0.4529312
   15  -0.0000000   0.0000000   0.3044739  -0.0000000  -0.0423286  -0.0000000  -0.5357004   0.0000000   0.3640795   0.0000000
   16   0.1027530  -0.3934217   0.0000000  -0.0684936  -0.0000000  -0.0261595  -0.0000000   0.1650562   0.0000000  -0.6710199
   17  -0.0000000   0.0000000   0.2654913  -0.0000000   0.4208398  -0.0000000   0.3416777  -0.0000000  -0.2850861  -0.0000000
   18   0.2475122  -0.6384575   0.0000000   0.1125591  -0.0000000   0.4773143  -0.0000000  -0.0762221   0.0000000   0.2900507
   19   0.0000000  -0.0000000  -0.1887501   0.0000000   0.2613446  -0.0000000  -0.2262607   0.0000000   0.2510267  -0.0000000
   20  -0.3442746  -0.1340718  -0.0000000  -0.3867358  -0.0000000  -0.3315325  -0.0000000  -0.0200038  -0.0000000   0.1256276
   21  -0.0000000   0.0000000   0.6800636  -0.0000000   0.1377495   0.0000000  -0.0531541   0.0000000   0.0570223  -0.0000000
   22   0.4159092   0.3809494  -0.0000000   0.3058593  -0.0000000  -0.0335695   0.0000000  -0.0166000   0.0000000   0.0602449
   23   0.0000000   0.0000000   0.2706267  -0.0000000   0.4353029   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
   24   0.4295157   0.3038219  -0.0000000   0.0361779  -0.0000000  -0.1224497   0.0000000   0.0000000   0.0000000   0.0000000

          31          32          33          34          35          36          37          38          39          40

    1  -0.0000000   0.0199191  -0.0000000  -0.0403319   0.0000000   0.0800017   0.0000000   0.0000000  -0.0539467  -0.1213473
    2   0.0850251   0.0000000   0.0469353  -0.0000000  -0.0853483  -0.0000000   0.1416787   0.1432150  -0.0000000   0.0000000
    3   0.0000000  -0.0467752   0.0000000   0.0725305  -0.0000000  -0.2847220  -0.0000000  -0.0000000   0.2708426   0.5585316
    4  -0.0457062  -0.0000000  -0.0596602   0.0000000   0.2935336   0.0000000  -0.5854165  -0.5891565   0.0000000  -0.0000000
    5  -0.5640915  -0.0000000  -0.3049900   0.0000000   0.1794088  -0.0000000   0.1082307   0.0760332  -0.0000000  -0.0000000
    6  -0.0000000   0.2445736  -0.0000000  -0.5534679   0.0000000   0.4325038   0.0000000   0.0000000   0.2331738  -0.0570530
    7   0.0849564  -0.0000000  -0.0224567   0.0000000   0.2710992  -0.0000000   0.0726746  -0.0405846  -0.0000000  -0.0000000
    8  -0.0000000  -0.0171211   0.0000000  -0.0616486   0.0000000   0.1527158   0.0000000   0.0000000   0.3797530  -0.2763005
    9  -0.2487538  -0.0000000  -0.5870641  -0.0000000   0.3988192  -0.0000000   0.0628214   0.1528352  -0.0000000   0.0000000
   10  -0.0000000  -0.1246116   0.0000000   0.3493406   0.0000000  -0.4480908  -0.0000000   0.0000000   0.2648623  -0.2003785
   11   0.4758601   0.0000000  -0.0050636  -0.0000000   0.4105192  -0.0000000  -0.0710295   0.2853178  -0.0000000   0.0000000
   12  -0.0000000  -0.2624632   0.0000000   0.3980841  -0.0000000   0.4670050   0.0000000  -0.0000000  -0.3654517  -0.0169462
   13  -0.3202696   0.0000000   0.2908010  -0.0000000  -0.2569137  -0.0000000  -0.2242631   0.2478036  -0.0000000   0.0000000
   14   0.0000000   0.3364603  -0.0000000  -0.0449086  -0.0000000  -0.1717548  -0.0000000  -0.0000000  -0.5813235   0.1739624
   15   0.1697446   0.0000000   0.3055383   0.0000000   0.3996918  -0.0000000   0.2671956  -0.3184292   0.0000000   0.0000000
   16  -0.0000000   0.1524797  -0.0000000  -0.3668555   0.0000000  -0.2589455  -0.0000000  -0.0000000  -0.2669782   0.1855219
   17  -0.2740496   0.0000000   0.0941551  -0.0000000  -0.1565354  -0.0000000   0.2921030  -0.5377386   0.0000000   0.0000000
   18   0.0000000  -0.2648824   0.0000000   0.1010470   0.0000000   0.2179917   0.0000000  -0.0000000  -0.2248896  -0.0105775
   19   0.3962603  -0.0000000  -0.5690719  -0.0000000  -0.4168030  -0.0000000   0.2427410  -0.2611970   0.0000000  -0.0000000
   20  -0.0000000  -0.5623539   0.0000000  -0.2239698   0.0000000   0.1595155  -0.0000000   0.0000000   0.0962160   0.5646096
   21   0.1158979  -0.0000000  -0.2131144   0.0000000  -0.2220415   0.0000000  -0.5876160   0.0008344  -0.0000000  -0.0000000
   22   0.0000000  -0.5744831   0.0000000  -0.4533242   0.0000000  -0.3372748  -0.0000000  -0.0000000  -0.2289049  -0.4119518
   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   0.0000000   0.0000000   0.0147970   0.1394455   0.0000000   0.0322693
    2  -0.0386283  -0.0816705  -0.0000000   0.0000000   0.0283282   0.0000000
    3  -0.0000000  -0.0000000  -0.0696088  -0.6744415  -0.0000000  -0.1460292
    4   0.1692350   0.3386134   0.0000000  -0.0000000  -0.1118661  -0.0000000
    5  -0.2380614  -0.0238159  -0.0000000   0.0000000  -0.0843453   0.0000000
    6  -0.0000000  -0.0000000   0.0775558  -0.2838481  -0.0000000   0.1055457
    7  -0.8000339   0.1629573  -0.0000000   0.0000000  -0.3634025   0.0000000
    8  -0.0000000  -0.0000000   0.3216646  -0.2300266   0.0000000   0.4379432
    9   0.2895314  -0.1923499   0.0000000  -0.0000000   0.0063520   0.0000000
   10   0.0000000  -0.0000000   0.3548916   0.0221815   0.0000000   0.3737318
   11   0.2376214  -0.2173502   0.0000000   0.0000000  -0.4918156   0.0000000
   12   0.0000000   0.0000000  -0.1229962  -0.3591972  -0.0000000   0.2972272
   13   0.1474578  -0.0100165   0.0000000  -0.0000000  -0.6215091   0.0000000
   14  -0.0000000   0.0000000   0.0669293  -0.1545141   0.0000000   0.4651194
   15  -0.0153842  -0.3419755  -0.0000000   0.0000000   0.1159724   0.0000000
   16  -0.0000000  -0.0000000   0.4327192   0.0509768   0.0000000   0.0361422
   17   0.0978325  -0.4522995  -0.0000000   0.0000000  -0.3297907   0.0000000
   18  -0.0000000  -0.0000000   0.7089573  -0.1388901   0.0000000  -0.4591264
   19   0.0393143   0.1448509   0.0000000   0.0000000  -0.2849006   0.0000000
   20  -0.0000000   0.0000000   0.0559696   0.3746236   0.0000000   0.3435514
   21  -0.3158326  -0.6516938  -0.0000000   0.0000000   0.1262203   0.0000000
   22   0.0000000  -0.0000000  -0.2165596  -0.2767319   0.0000000  -0.0146159
   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   0.249284885295520 -0.000000000000006  0.000211708263722 -0.000000000000013
    1  -0.000000000000000  0.253459738083368 -0.000000000000116 -0.000893614967241
    2  -0.000000000000029 -0.000000000000000  1.124091570119695 -0.000000000023677
    3  -0.000000000000000 -0.000000000000492 -0.000000000023912  0.643556670919373
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000608292930
Norm of residual vector 0  after precondition    0.0000608292930
                     1   0.2492848853   2.78e-16    6.08e-05      N
Norm of residual vector af preconditioning    0.0000251165381
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0000257137867
Norm of residual vector 1  after precondition    0.0000257137867
                     2   0.2534597381  -1.39e-15    2.57e-05      N
Norm of residual vector af preconditioning    0.0000131062275
Norm of final new C in schmidt_add():    1.000000000000000
Iter=14   L=6   resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.249284885295520 -0.000000000000006  0.000211708263722 -0.000000000000013 -0.001989356910201
    1  -0.000000000000000  0.253459738083368 -0.000000000000116 -0.000893614967241  0.000000000000105
    2  -0.000000000000029 -0.000000000000000  1.124091570119695 -0.000000000023677 -0.533142207214779
    3  -0.000000000000000 -0.000000000000492 -0.000000000023912  0.643556670919373  0.000000000018092
    4   0.000052178065109 -0.000000000000002 -0.532882788487781  0.000000000017894  2.211677001301489
    5  -0.000000000000001  0.000021190489663  0.000000000024793  0.520147392922427 -0.000000000033473

                5        

    0   0.000000000000076
    1  -0.000683070985808
    2   0.000000000025061
    3   0.519321612264675
    4  -0.000000000033288
    5   1.741060203645215
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000155327552
Norm of residual vector 0  after precondition    0.0000155327552
                     1   0.2492849446   5.93e-08    1.55e-05      N
Norm of residual vector af preconditioning    0.0000079397012
Norm of final new C in schmidt_add():    1.000000000000001
Norm of residual vector 1  before precondition    0.0000185477916
Norm of residual vector 1  after precondition    0.0000185477916
                     2   0.2534597246  -1.35e-08    1.85e-05      N
Norm of residual vector af preconditioning    0.0000112622597
Norm of final new C in schmidt_add():    0.999999999999997
Iter=15   L=8   resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.249284885295520 -0.000000000000006  0.000211708263722 -0.000000000000013 -0.001989356910201
    1  -0.000000000000000  0.253459738083368 -0.000000000000116 -0.000893614967241  0.000000000000105
    2  -0.000000000000029 -0.000000000000000  1.124091570119695 -0.000000000023677 -0.533142207214779
    3  -0.000000000000000 -0.000000000000492 -0.000000000023912  0.643556670919373  0.000000000018092
    4   0.000052178065109 -0.000000000000002 -0.532882788487781  0.000000000017894  2.211677001301489
    5  -0.000000000000001  0.000021190489663  0.000000000024793  0.520147392922427 -0.000000000033473
    6   0.000008730641605 -0.000000000000002  0.037639090172109  0.000000000003360  0.653303403550854
    7  -0.000000000000004 -0.000007556934016  0.000000000020976 -0.060469871451362 -0.000000000173109

                5                  6                  7        

    0   0.000000000000076  0.000455957374370 -0.000000000000223
    1  -0.000683070985808  0.000000000000111  0.000552051717209
    2   0.000000000025061  0.036435886406626  0.000000000020831
    3   0.519321612264675  0.000000000003670 -0.060099330275304
    4  -0.000000000033288  0.654874063987567 -0.000000000173364
    5   1.741060203645215 -0.000000000167554 -0.894902494863054
    6  -0.000000000167425  1.779045206139156 -0.000000000057383
    7  -0.894761182318553 -0.000000000057969  1.748821807082813
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000061147618
Norm of residual vector 0  after precondition    0.0000061147618
                     1   0.2492849571   1.25e-08    6.11e-06      N
Norm of residual vector af preconditioning    0.0000029846666
Norm of final new C in schmidt_add():    1.000000000000001
Norm of residual vector 1  before precondition    0.0000124172126
Norm of residual vector 1  after precondition    0.0000124172126
                     2   0.2534597043  -2.03e-08    1.24e-05      N
Norm of residual vector af preconditioning    0.0000061894521
Norm of final new C in schmidt_add():    0.999999999999999
Iter=16   L=10  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.249284885295520 -0.000000000000006  0.000211708263722 -0.000000000000013 -0.001989356910201
    1  -0.000000000000000  0.253459738083368 -0.000000000000116 -0.000893614967241  0.000000000000105
    2  -0.000000000000029 -0.000000000000000  1.124091570119695 -0.000000000023677 -0.533142207214779
    3  -0.000000000000000 -0.000000000000492 -0.000000000023912  0.643556670919373  0.000000000018092
    4   0.000052178065109 -0.000000000000002 -0.532882788487781  0.000000000017894  2.211677001301489
    5  -0.000000000000001  0.000021190489663  0.000000000024793  0.520147392922427 -0.000000000033473
    6   0.000008730641605 -0.000000000000002  0.037639090172109  0.000000000003360  0.653303403550854
    7  -0.000000000000004 -0.000007556934016  0.000000000020976 -0.060469871451362 -0.000000000173109
    8  -0.000010302914390 -0.000000000000000  0.084249563041303  0.000000000037934 -0.277073315527597
    9   0.000000000000001  0.000002694758892 -0.000000000019464  0.175667312760937  0.000000000044395

                5                  6                  7                  8                  9        

    0   0.000000000000076  0.000455957374370 -0.000000000000223  0.001955681728470 -0.000000000000870
    1  -0.000683070985808  0.000000000000111  0.000552051717209  0.000000000000131 -0.001203441105791
    2   0.000000000025061  0.036435886406626  0.000000000020831  0.083654788573417 -0.000000000019068
    3   0.519321612264675  0.000000000003670 -0.060099330275304  0.000000000038219  0.176443885987099
    4  -0.000000000033288  0.654874063987567 -0.000000000173364 -0.277009390479671  0.000000000044045
    5   1.741060203645215 -0.000000000167554 -0.894902494863054  0.000000000017587  0.215755274360311
    6  -0.000000000167425  1.779045206139156 -0.000000000057383  0.705456224087535 -0.000000000087273
    7  -0.894761182318553 -0.000000000057969  1.748821807082813  0.000000000046082  0.610640554153840
    8   0.000000000017233  0.706140664962251  0.000000000046773  1.979912996380593 -0.000000000022061
    9   0.215178467097522 -0.000000000087656  0.610786681848406 -0.000000000022173  1.949851460921805
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000020325477
Norm of residual vector 0  after precondition    0.0000020325477
                     1   0.2492849532  -3.86e-09    2.03e-06      N
Norm of residual vector af preconditioning    0.0000010368450
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0000057452742
Norm of residual vector 1  after precondition    0.0000057452742
                     2   0.2534596877  -1.66e-08    5.75e-06      N
Norm of residual vector af preconditioning    0.0000026645723
Norm of final new C in schmidt_add():    1.000000000000003
Iter=17   L=12  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.249284885295520 -0.000000000000006  0.000211708263722 -0.000000000000013 -0.001989356910201
    1  -0.000000000000000  0.253459738083368 -0.000000000000116 -0.000893614967241  0.000000000000105
    2  -0.000000000000029 -0.000000000000000  1.124091570119695 -0.000000000023677 -0.533142207214779
    3  -0.000000000000000 -0.000000000000492 -0.000000000023912  0.643556670919373  0.000000000018092
    4   0.000052178065109 -0.000000000000002 -0.532882788487781  0.000000000017894  2.211677001301489
    5  -0.000000000000001  0.000021190489663  0.000000000024793  0.520147392922427 -0.000000000033473
    6   0.000008730641605 -0.000000000000002  0.037639090172109  0.000000000003360  0.653303403550854
    7  -0.000000000000004 -0.000007556934016  0.000000000020976 -0.060469871451362 -0.000000000173109
    8  -0.000010302914390 -0.000000000000000  0.084249563041303  0.000000000037934 -0.277073315527597
    9   0.000000000000001  0.000002694758892 -0.000000000019464  0.175667312760937  0.000000000044395
   10   0.000004171046225 -0.000000000000001 -0.083443091156880 -0.000000000004998  0.118630436212723
   11   0.000000000000002  0.000000199864585 -0.000000000047660 -0.022433244693922  0.000000000081169

                5                  6                  7                  8                  9        

    0   0.000000000000076  0.000455957374370 -0.000000000000223  0.001955681728470 -0.000000000000870
    1  -0.000683070985808  0.000000000000111  0.000552051717209  0.000000000000131 -0.001203441105791
    2   0.000000000025061  0.036435886406626  0.000000000020831  0.083654788573417 -0.000000000019068
    3   0.519321612264675  0.000000000003670 -0.060099330275304  0.000000000038219  0.176443885987099
    4  -0.000000000033288  0.654874063987567 -0.000000000173364 -0.277009390479671  0.000000000044045
    5   1.741060203645215 -0.000000000167554 -0.894902494863054  0.000000000017587  0.215755274360311
    6  -0.000000000167425  1.779045206139156 -0.000000000057383  0.705456224087535 -0.000000000087273
    7  -0.894761182318553 -0.000000000057969  1.748821807082813  0.000000000046082  0.610640554153840
    8   0.000000000017233  0.706140664962251  0.000000000046773  1.979912996380593 -0.000000000022061
    9   0.215178467097522 -0.000000000087656  0.610786681848406 -0.000000000022173  1.949851460921805
   10   0.000000000071785 -0.009321494727884 -0.000000000212514  0.740351802911472 -0.000000000124152
   11  -0.181105965732851  0.000000000022818  0.262861202748785  0.000000000093735 -0.596124476088467

               10                 11        

    0   0.000560636884281  0.000000000000729
    1   0.000000000000427  0.001430843431572
    2  -0.083432310516911 -0.000000000048048
    3  -0.000000000005550 -0.022920362697940
    4   0.118958680641421  0.000000000081746
    5   0.000000000071110 -0.180563665572236
    6  -0.011001984298324  0.000000000022364
    7  -0.000000000212849  0.264421626265488
    8   0.739939529340480  0.000000000093457
    9  -0.000000000123420 -0.595965899455145
   10   1.780971251164478 -0.000000000147175
   11  -0.000000000147623  2.143849418964004
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000010149482
Norm of residual vector 0  after precondition    0.0000010149482
                     1   0.2492849534   1.61e-10    1.01e-06      N
Norm of residual vector af preconditioning    0.0000005225591
Norm of final new C in schmidt_add():    1.000000000000000
Norm of residual vector 1  before precondition    0.0000023186069
Norm of residual vector 1  after precondition    0.0000023186069
                     2   0.2534596884   7.01e-10    2.32e-06      N
Norm of residual vector af preconditioning    0.0000011366188
Norm of final new C in schmidt_add():    0.999999999999998
Iter=18   L=14  resetting norm
resetting norm
resetting norm
resetting norm
The G Matrix

                0                  1                  2                  3                  4        

    0   0.249284885295520 -0.000000000000006  0.000211708263722 -0.000000000000013 -0.001989356910201
    1  -0.000000000000000  0.253459738083368 -0.000000000000116 -0.000893614967241  0.000000000000105
    2  -0.000000000000029 -0.000000000000000  1.124091570119695 -0.000000000023677 -0.533142207214779
    3  -0.000000000000000 -0.000000000000492 -0.000000000023912  0.643556670919373  0.000000000018092
    4   0.000052178065109 -0.000000000000002 -0.532882788487781  0.000000000017894  2.211677001301489
    5  -0.000000000000001  0.000021190489663  0.000000000024793  0.520147392922427 -0.000000000033473
    6   0.000008730641605 -0.000000000000002  0.037639090172109  0.000000000003360  0.653303403550854
    7  -0.000000000000004 -0.000007556934016  0.000000000020976 -0.060469871451362 -0.000000000173109
    8  -0.000010302914390 -0.000000000000000  0.084249563041303  0.000000000037934 -0.277073315527597
    9   0.000000000000001  0.000002694758892 -0.000000000019464  0.175667312760937  0.000000000044395
   10   0.000004171046225 -0.000000000000001 -0.083443091156880 -0.000000000004998  0.118630436212723
   11   0.000000000000002  0.000000199864585 -0.000000000047660 -0.022433244693922  0.000000000081169
   12   0.000002245694066  0.000000000000002  0.004673201281733  0.000000000079617  0.188649813110523
   13  -0.000000000000000 -0.000001275510817  0.000000000043805 -0.052339166246934  0.000000000031401

                5                  6                  7                  8                  9        

    0   0.000000000000076  0.000455957374370 -0.000000000000223  0.001955681728470 -0.000000000000870
    1  -0.000683070985808  0.000000000000111  0.000552051717209  0.000000000000131 -0.001203441105791
    2   0.000000000025061  0.036435886406626  0.000000000020831  0.083654788573417 -0.000000000019068
    3   0.519321612264675  0.000000000003670 -0.060099330275304  0.000000000038219  0.176443885987099
    4  -0.000000000033288  0.654874063987567 -0.000000000173364 -0.277009390479671  0.000000000044045
    5   1.741060203645215 -0.000000000167554 -0.894902494863054  0.000000000017587  0.215755274360311
    6  -0.000000000167425  1.779045206139156 -0.000000000057383  0.705456224087535 -0.000000000087273
    7  -0.894761182318553 -0.000000000057969  1.748821807082813  0.000000000046082  0.610640554153840
    8   0.000000000017233  0.706140664962251  0.000000000046773  1.979912996380593 -0.000000000022061
    9   0.215178467097522 -0.000000000087656  0.610786681848406 -0.000000000022173  1.949851460921805
   10   0.000000000071785 -0.009321494727884 -0.000000000212514  0.740351802911472 -0.000000000124152
   11  -0.181105965732851  0.000000000022818  0.262861202748785  0.000000000093735 -0.596124476088467
   12   0.000000000167742  0.514473425849944 -0.000000000115321  0.244574692804595  0.000000000097299
   13   0.017382433451637  0.000000000171126 -0.390709273152759 -0.000000000142275 -0.546345830197434

               10                 11                 12                 13        

    0   0.000560636884281  0.000000000000729 -0.000832895185945 -0.000000000001255
    1   0.000000000000427  0.001430843431572 -0.000000000002646  0.002088086514858
    2  -0.083432310516911 -0.000000000048048  0.005237673769801  0.000000000044807
    3  -0.000000000005550 -0.022920362697940  0.000000000080417 -0.053367369273954
    4   0.118958680641421  0.000000000081746  0.187131948465644  0.000000000029973
    5   0.000000000071110 -0.180563665572236  0.000000000167299  0.016563638856038
    6  -0.011001984298324  0.000000000022364  0.513539766400526  0.000000000170971
    7  -0.000000000212849  0.264421626265488 -0.000000000113317 -0.390841207466629
    8   0.739939529340480  0.000000000093457  0.244013082950794 -0.000000000142661
    9  -0.000000000123420 -0.595965899455145  0.000000000098352 -0.546814005088037
   10   1.780971251164478 -0.000000000147175 -0.906213159400381 -0.000000000268600
   11  -0.000000000147623  2.143849418964004 -0.000000000081189 -0.693132133311489
   12  -0.905115451029234 -0.000000000079900  2.295695893724949  0.000000000317950
   13  -0.000000000267439 -0.693377668402447  0.000000000318926  2.199774783469895
  Root    EOM Energy     Delta E   Res. Norm    Conv?
Norm of residual vector 0  before precondition    0.0000004585518
Norm of residual vector 0  after precondition    0.0000004585518
                     1   0.2492849526  -7.44e-10    4.59e-07      Y
Norm of residual vector 1  before precondition    0.0000008371733
Norm of residual vector 1  after precondition    0.0000008371733
                     2   0.2534596915   3.08e-09    8.37e-07      Y
Collapsing to only 2 vector(s).
alpha

           1           2           3           4           5           6           7           8           9          10

    1   1.0000000  -0.0000000   0.0000000  -0.0005993   0.0000000  -0.0016275   0.0000000   0.0002014  -0.0000000  -0.0009340
    2   0.0000000   1.0000000   0.0068598  -0.0000000  -0.0018703  -0.0000000  -0.0015157   0.0000000   0.0007566  -0.0000000
    3  -0.0000233   0.0000000  -0.0000000  -0.1904227  -0.0000000   0.6926593   0.0000000   0.6105767  -0.0000000  -0.3216157
    4  -0.0000000   0.0000701  -0.7239781   0.0000000   0.5428725  -0.0000000  -0.3382152   0.0000000  -0.2268254   0.0000000
    5  -0.0000385   0.0000000  -0.0000000  -0.3665366  -0.0000000   0.3161915  -0.0000000  -0.0128695   0.0000000   0.7534759
    6   0.0000000  -0.0000607   0.5329574  -0.0000000   0.1567977   0.0000000  -0.3365295   0.0000000  -0.6510086   0.0000000
    7   0.0000138  -0.0000000   0.0000000   0.3943867   0.0000000  -0.3373185   0.0000000   0.5847030   0.0000000  -0.0164244
    8   0.0000000  -0.0000342   0.3907803  -0.0000000   0.4516753   0.0000000  -0.4147709  -0.0000000   0.3968404  -0.0000000
    9  -0.0000058   0.0000000  -0.0000000  -0.5577463  -0.0000000  -0.1076729  -0.0000000  -0.2273118  -0.0000000  -0.4547644
   10  -0.0000000   0.0000132  -0.1784226   0.0000000  -0.5477118   0.0000000  -0.2388224   0.0000000  -0.0905525   0.0000000
   11   0.0000024  -0.0000000   0.0000000   0.5373292   0.0000000   0.4188728   0.0000000  -0.2461403   0.0000000   0.1078442
   12   0.0000000   0.0000044  -0.0809773   0.0000000  -0.3600164   0.0000000  -0.4699969   0.0000000  -0.3016862  -0.0000000
   13   0.0000008  -0.0000000   0.0000000   0.2721128   0.0000000   0.3455602   0.0000000  -0.4158090  -0.0000000  -0.3318521
   14   0.0000000   0.0000015  -0.0257642   0.0000000  -0.2170016   0.0000000  -0.5677922  -0.0000000   0.5177266  -0.0000000

          11          12          13          14

    1  -0.0000000  -0.0005651  -0.0003866   0.0000000
    2   0.0008419  -0.0000000  -0.0000000  -0.0001084
    3  -0.0000000   0.0492559  -0.0725021   0.0000000
    4  -0.1087699   0.0000000  -0.0000000  -0.0582929
    5   0.0000000  -0.2012432   0.3973729  -0.0000000
    6  -0.1692291  -0.0000000  -0.0000000  -0.3552181
    7  -0.0000000  -0.4041743   0.4735117  -0.0000000
    8  -0.1750540   0.0000000   0.0000000   0.5325207
    9  -0.0000000  -0.6375950   0.1052564  -0.0000000
   10  -0.7403970   0.0000000   0.0000000   0.2354574
   11  -0.0000000  -0.5880763  -0.3447203   0.0000000
   12   0.6087968  -0.0000000   0.0000000   0.4237598
   13  -0.0000000   0.2033634   0.6947760  -0.0000000
   14   0.1003235   0.0000000  -0.0000000  -0.5931536
alpha_old

           1           2           3           4           5           6           7           8           9          10

    1   1.0000000  -0.0000000  -0.0000000   0.0007147   0.0000000   0.0009032   0.0000000  -0.0003804  -0.0010897   0.0000000
    2   0.0000000   1.0000000  -0.0075532   0.0000000   0.0003815  -0.0000000   0.0000626   0.0000000  -0.0000000  -0.0005397
    3  -0.0000233   0.0000000   0.0000000  -0.3262331   0.0000000  -0.8423004   0.0000000  -0.3209996  -0.2679839   0.0000000
    4  -0.0000000   0.0000699   0.7305525   0.0000000  -0.5864955   0.0000000  -0.2991287  -0.0000000   0.0000000   0.0245821
    5  -0.0000383   0.0000000  -0.0000000  -0.4394738  -0.0000000  -0.1918451  -0.0000000   0.1984149   0.7532653  -0.0000000
    6   0.0000000  -0.0000605  -0.5334585  -0.0000000  -0.2239372  -0.0000000  -0.4930445  -0.0000000  -0.0000000  -0.1221533
    7   0.0000137  -0.0000000  -0.0000000   0.5546814  -0.0000000  -0.1035066   0.0000000  -0.5846494   0.1475002   0.0000000
    8   0.0000000  -0.0000340  -0.3884656  -0.0000000  -0.5477609  -0.0000000  -0.1847293   0.0000000   0.0000000   0.4275615
    9  -0.0000054   0.0000000   0.0000000  -0.5238355   0.0000000   0.3404413  -0.0000000  -0.1191821  -0.5020991   0.0000000
   10  -0.0000000   0.0000123   0.1626163   0.0000000   0.4903146  -0.0000000  -0.4427760  -0.0000000   0.0000000   0.7250345
   11   0.0000017  -0.0000000  -0.0000000   0.3440336  -0.0000000  -0.3565259  -0.0000000   0.7082170  -0.2948135   0.0000000
   12   0.0000000   0.0000035   0.0656388   0.0000000   0.2557825  -0.0000000  -0.6612516  -0.0000000  -0.0000000  -0.5253476

          11          12

    1  -0.0000000  -0.0002943
    2  -0.0006503  -0.0000000
    3   0.0000000   0.0981824
    4   0.1781394  -0.0000000
    5  -0.0000000  -0.4061735
    6   0.6395949  -0.0000000
    7  -0.0000000  -0.5630391
    8  -0.5798831   0.0000000
    9  -0.0000000  -0.5849617
   10   0.0986785   0.0000000
   11   0.0000000  -0.4076640
   12  -0.4617169  -0.0000000
alpha_tot

           1           2           3           4           5           6           7           8           9          10

    1   1.0000000  -0.0000000   0.0000000  -0.0005993   0.0000000  -0.0016275   0.0000000   0.0002014  -0.0000000  -0.0009340
    2   0.0000000   1.0000000   0.0068598  -0.0000000  -0.0018703  -0.0000000  -0.0015157   0.0000000   0.0007566  -0.0000000
    3  -0.0000233   0.0000000  -0.0000000  -0.1904227  -0.0000000   0.6926593   0.0000000   0.6105767  -0.0000000  -0.3216157
    4  -0.0000000   0.0000701  -0.7239781   0.0000000   0.5428725  -0.0000000  -0.3382152   0.0000000  -0.2268254   0.0000000
    5  -0.0000385   0.0000000  -0.0000000  -0.3665366  -0.0000000   0.3161915  -0.0000000  -0.0128695   0.0000000   0.7534759
    6   0.0000000  -0.0000607   0.5329574  -0.0000000   0.1567977   0.0000000  -0.3365295   0.0000000  -0.6510086   0.0000000
    7   0.0000138  -0.0000000   0.0000000   0.3943867   0.0000000  -0.3373185   0.0000000   0.5847030   0.0000000  -0.0164244
    8   0.0000000  -0.0000342   0.3907803  -0.0000000   0.4516753   0.0000000  -0.4147709  -0.0000000   0.3968404  -0.0000000
    9  -0.0000058   0.0000000  -0.0000000  -0.5577463  -0.0000000  -0.1076729  -0.0000000  -0.2273118  -0.0000000  -0.4547644
   10  -0.0000000   0.0000132  -0.1784226   0.0000000  -0.5477118   0.0000000  -0.2388224   0.0000000  -0.0905525   0.0000000
   11   0.0000024  -0.0000000   0.0000000   0.5373292   0.0000000   0.4188728   0.0000000  -0.2461403   0.0000000   0.1078442
   12   0.0000000   0.0000044  -0.0809773   0.0000000  -0.3600164   0.0000000  -0.4699969   0.0000000  -0.3016862  -0.0000000
   13   0.0000008  -0.0000000   0.0000000   0.2721128   0.0000000   0.3455602   0.0000000  -0.4158090  -0.0000000  -0.3318521
   14   0.0000000   0.0000015  -0.0257642   0.0000000  -0.2170016   0.0000000  -0.5677922  -0.0000000   0.5177266  -0.0000000

          11          12          13          14

    1  -0.0000000  -0.0005651  -0.0003866   0.0000000
    2   0.0008419  -0.0000000  -0.0000000  -0.0001084
    3  -0.0000000   0.0492559  -0.0725021   0.0000000
    4  -0.1087699   0.0000000  -0.0000000  -0.0582929
    5   0.0000000  -0.2012432   0.3973729  -0.0000000
    6  -0.1692291  -0.0000000  -0.0000000  -0.3552181
    7  -0.0000000  -0.4041743   0.4735117  -0.0000000
    8  -0.1750540   0.0000000   0.0000000   0.5325207
    9  -0.0000000  -0.6375950   0.1052564  -0.0000000
   10  -0.7403970   0.0000000   0.0000000   0.2354574
   11  -0.0000000  -0.5880763  -0.3447203   0.0000000
   12   0.6087968  -0.0000000   0.0000000   0.4237598
   13  -0.0000000   0.2033634   0.6947760  -0.0000000
   14   0.1003235   0.0000000  -0.0000000  -0.5931536

Procedure converged for 2 root(s).
Energy written to chkpt:Etot -150.9090140033
EOM CC2 R0 for root 0 =  -0.00222235788
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)  0.005223455252914  0.000000000000039 -0.000000000000012  0.000800388929774  0.000000000000021  0.000105629350356 -0.000000000000014 -0.000000000000013  0.000263546456725
    1  (  1)  0.000000000000015  0.001709567882642 -0.003050063119255  0.000000000000013 -0.000583390397353 -0.000000000000014 -0.001778040350650 -0.000723428569011 -0.000000000000036
    2  (  2) -0.015701080017264 -0.000000000000104  0.000000000000043 -0.003529241467552 -0.000000000000092 -0.000902867109646 -0.000000000000010 -0.000000000000045  0.000982179520155
    3  (  3)  0.000000000003921 -0.028996316782043  0.027940603619723  0.000000000000488 -0.007244602799283  0.000000000000067 -0.004330923094865 -0.001706959130718 -0.000000000000108
    4  (  4)  0.032948063208666 -0.000000000000167  0.000000000000325  0.003893233183868  0.000000000000008  0.002481885531950 -0.000000000000051 -0.000000000000016  0.000731295037877
    5  (  5) -0.000000000005233  0.029694754300759 -0.024620399553322 -0.000000000000602  0.007471732446857 -0.000000000000170 -0.000284546052717  0.002316985309561  0.000000000000116
    6  (  6) -0.676945338457656 -0.000000000004435  0.000000000000799 -0.059498055050901 -0.000000000001721 -0.021205553357819  0.000000000000314 -0.000000000000336  0.000842036637223

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

    0  (  0) -0.000351444962074  0.000000000000005  0.000066704653573 -0.000892087867216  0.000000000000014 -0.000000000000004  0.000635519079760 -0.000000000000004 -0.000465007051453
    1  (  1)  0.000000000000003 -0.000349085654744  0.000000000000005 -0.000000000000022 -0.001160458863521  0.000689936868462  0.000000000000002  0.000408879461276 -0.000000000000015
    2  (  2)  0.000423062573603 -0.000000000000025 -0.000999385627624  0.001732820648757 -0.000000000000031 -0.000000000000000 -0.000727890726626  0.000000000000013  0.000485781599811
    3  (  3) -0.000000000000139 -0.005918193269945 -0.000000000000083 -0.000000000000019  0.000585593017528 -0.001524041769540  0.000000000000099  0.002708704669072 -0.000000000000062
    4  (  4)  0.001634417998355 -0.000000000000112 -0.000551810180955 -0.000831371005151  0.000000000000006 -0.000000000000002  0.000936977329372  0.000000000000017 -0.000325760724258
    5  (  5)  0.000000000000185  0.006384227027722  0.000000000000123  0.000000000000056  0.001481604590600 -0.000086559587053 -0.000000000000109 -0.001584529083875  0.000000000000061
    6  (  6)  0.005432613139361 -0.000000000000368  0.015959514444312  0.005412050327424 -0.000000000000100 -0.000000000000044 -0.014842199115480  0.000000000000190  0.007516524200193

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

    0  (  0)  0.000000000000007  0.000000000000004  0.000047010316882  0.000210756011640 -0.000036469915213 -0.000000000000003 -0.000641477314978 -0.000000000000005 -0.000000000000000
    1  (  1) -0.000910702309075  0.000444645346143  0.000000000000001 -0.000000000000001 -0.000000000000000  0.000014292137391  0.000000000000003 -0.000060724363151  0.000154984070790
    2  (  2) -0.000000000000017  0.000000000000009  0.000140887037535  0.000742173045390  0.001363774171388  0.000000000000039 -0.000530157811788  0.000000000000001  0.000000000000003
    3  (  3) -0.001382446725528  0.000803044128871 -0.000000000000012 -0.000000000000017  0.000000000000042 -0.001287233354878  0.000000000000010 -0.000088599323687 -0.001435844887507
    4  (  4) -0.000000000000001  0.000000000000003 -0.000863059835482  0.000617519460928 -0.000737762894307 -0.000000000000025 -0.001804842236108 -0.000000000000000 -0.000000000000021
    5  (  5)  0.000643044088691  0.000309703132659  0.000000000000014  0.000000000000023  0.000000000000024 -0.001269654024512 -0.000000000000013 -0.000460203301978  0.001590438599618
    6  (  6) -0.000000000000264 -0.000000000000021  0.003129174566278  0.002250449668726 -0.000815669958776 -0.000000000000011 -0.000238670676687  0.000000000000002 -0.000000000000022

                        27                 28     
                      ( 27)              ( 28)    

    0  (  0) -0.000054363985828  0.000000000000000
    1  (  1) -0.000000000000002 -0.000070217194585
    2  (  2)  0.000508105644591 -0.000000000000001
    3  (  3)  0.000000000000007  0.000257322877653
    4  (  4) -0.000374275017663  0.000000000000003
    5  (  5) -0.000000000000011 -0.000150077997024
    6  (  6)  0.001927787433196 -0.000000000000006
EOM CC2 R0 for root 1 =   0.00000000000
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) -0.000000000000045  0.006492579520933  0.002674579126749 -0.000000000000058  0.002294512402686  0.000000000000006 -0.001407236815665 -0.001414570718328 -0.000000000000048
    1  (  1) -0.001237376927134 -0.000000000000017 -0.000000000000000 -0.001815299334729 -0.000000000000051  0.001507082240974 -0.000000000000008  0.000000000000002  0.000737283597457
    2  (  2)  0.000000000000078 -0.007654530658859 -0.003384911995182  0.000000000000019 -0.000148809808919  0.000000000000065 -0.000080523179144 -0.003758710641230 -0.000000000000137
    3  (  3) -0.015434981521835  0.000000000003006  0.000000000002101  0.004714365521329  0.000000000000393 -0.003027982293078 -0.000000000000127  0.000000000000079  0.000549092173729
    4  (  4) -0.000000000000471  0.042925453168192  0.038457980017402 -0.000000000000102  0.005960329327714 -0.000000000000200 -0.007615832810606  0.002626019020439  0.000000000000050
    5  (  5)  0.020530100116820 -0.000000000004116 -0.000000000002912 -0.002822319044052 -0.000000000000448  0.007301352921530  0.000000000000116 -0.000000000000084  0.000638657732781
    6  (  6)  0.000000000003677 -0.555955455895650 -0.396077979525973  0.000000000001315 -0.049944221758157  0.000000000000556  0.032409213039979 -0.022493001504017 -0.000000000000601

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

    0  (  0)  0.000000000000011 -0.000134219053654  0.000000000000005 -0.000000000000001 -0.000409448015583 -0.001597951806550 -0.000000000000006 -0.000529552347449  0.000000000000003
    1  (  1)  0.000686369479512 -0.000000000000010  0.000735023774618  0.001665295528057 -0.000000000000026  0.000000000000008 -0.000574334141412  0.000000000000007  0.000448080698180
    2  (  2) -0.000000000000062 -0.002909971767143  0.000000000000022 -0.000000000000135 -0.005031281339619 -0.000504148938619 -0.000000000000001  0.001705683697012 -0.000000000000003
    3  (  3) -0.001806808471357 -0.000000000000115  0.002111208860696 -0.004468022274667  0.000000000000136  0.000000000000039 -0.008702972600137 -0.000000000000050 -0.004034710433226
    4  (  4) -0.000000000000065 -0.004581837933416  0.000000000000008  0.000000000000001 -0.000305132296118 -0.002236363029249 -0.000000000000079 -0.001508830232944 -0.000000000000066
    5  (  5)  0.001360996310659  0.000000000000202  0.001418221372535 -0.001826394197951  0.000000000000021 -0.000000000000054  0.005548732381941  0.000000000000101  0.003102138714429
    6  (  6)  0.000000000000328  0.031082241254615 -0.000000000000070 -0.000000000000112 -0.002765735011014 -0.004962016831502 -0.000000000000112  0.018056016430292 -0.000000000000168

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

    0  (  0) -0.000067158828921  0.003647315521676  0.000000000000002  0.000000000000006  0.000000000000005 -0.000141298018489 -0.000000000000008 -0.000215074356949 -0.000092774147663
    1  (  1) -0.000000000000005 -0.000000000000026 -0.000014943780484  0.000424126014798  0.000581292524232  0.000000000000018 -0.001137590561616 -0.000000000000003  0.000000000000003
    2  (  2)  0.000239164982251  0.003366710048881 -0.000000000000014  0.000000000000006 -0.000000000000169  0.004116458064213 -0.000000000000006  0.000294888184030 -0.001615120762984
    3  (  3)  0.000000000000099 -0.000000000000039 -0.003385832300469  0.000218894429365 -0.004118081011373 -0.000000000000134  0.000256550129243 -0.000000000000015  0.000000000000052
    4  (  4) -0.001823879059314  0.007812741606767  0.000000000000002  0.000000000000004  0.000000000000055 -0.001416766354523 -0.000000000000002  0.000197551853238  0.001132946179451
    5  (  5) -0.000000000000098  0.000000000000036  0.000189350926615  0.000762245513662 -0.002543018134732 -0.000000000000123 -0.000377709468921  0.000000000000021 -0.000000000000052
    6  (  6) -0.003735141710216 -0.001984665764055 -0.000000000000220 -0.000000000000050  0.000000000000070 -0.002253175398617  0.000000000000000  0.002277547335087 -0.004146471505716

                        27                 28     
                      ( 27)              ( 28)    

    0  (  0)  0.000000000000002 -0.000073874794143
    1  (  1)  0.000244348517313  0.000000000000001
    2  (  2)  0.000000000000013 -0.000207602360798
    3  (  3)  0.001847695502033 -0.000000000000019
    4  (  4)  0.000000000000022 -0.000014458776773
    5  (  5) -0.003082455916618  0.000000000000023
    6  (  6)  0.000000000000091  0.001750262140696

Final Energetic Summary for Converged Roots of Irrep A  
                     Excitation Energy              Total Energy
                (eV)     (cm^-1)     (au)             (au)
EOM State 1      6.783    54711.7   0.2492849526  -150.9131887422

Largest components of excited wave function #1:
	          6   0        -0.6769453385
	          6   3        -0.0594980551
	          4   0         0.0329480632
	          5   1         0.0296947543
	          3   1        -0.0289963168
	  3   4   0   2        -0.0443371863
	  4   3   2   0        -0.0443371863
	  2   6   0   0         0.0340052838
	  6   2   0   0         0.0340052838
	  2   3   2   0        -0.0280576124

EOM State 2      6.897    55628.0   0.2534596915  -150.9090140033

Largest components of excited wave function #2:
	          6   1        -0.5559554559
	          6   2        -0.3960779795
	          6   4        -0.0499442218
	          4   1         0.0429254532
	          4   2         0.0384579800
	  3   4   1   2        -0.0371377857
	  4   3   2   1        -0.0371377857
	  3   4   2   2        -0.0245536368
	  4   3   2   2        -0.0245536368
	  2   3   2   1        -0.0232126364


	Total # of sigma evaluations: 34
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:29 2008

user time   =       2.42 seconds =       0.04 minutes
system time =       1.20 seconds =       0.02 minutes
total time  =          4 seconds =       0.07 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:29 2008


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


	Nuclear Rep. energy (chkpt)   =   38.253971301900009
	Reference           (chkpt)   = 0
	SCF energy          (chkpt)   = -150.779183867918135
	Reference energy    (CC_INFO) = -150.779183867918334
	CC2 energy          (CC_INFO) =   -0.383289826852621
	Total CC2 energy    (CC_INFO) = -151.162473694770966

	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       0.2492849526  -0.0022223579
	  3   0     2         No       0.2534596915   0.0000000000
	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        -0.383295383465926    0.000e+00
	   1        -0.383120163326262    1.714e-03
	   2        -0.383118916772932    4.319e-04
	   3        -0.383116135434603    2.039e-04
	   4        -0.383115579151126    5.916e-05
	   5        -0.383115076139859    2.757e-05
	   6        -0.383114948317894    8.718e-06
	   7        -0.383114947449601    3.398e-06
	   8        -0.383114956501825    1.052e-06
	   9        -0.383114959211594    3.874e-07
	  10        -0.383114959385497    1.182e-07
	  11        -0.383114958975013    2.527e-08

	Largest LIA Amplitudes:
	          3   1        -0.0106325290
	          5   1        -0.0091021185
	          4  15         0.0085623554
	          4  20         0.0085246829
	          4   9         0.0077474257
	          3   6         0.0076075555
	          2  17         0.0069597305
	          2   8         0.0064431889
	          2   0         0.0061242881
	          4   8         0.0058807057

	Largest LIjAb Amplitudes:
	  4   4   2   2        -0.0557451643
	  2   2   2   2        -0.0278670105
	  2   4   2   2        -0.0272995568
	  4   2   2   2        -0.0272995568
	  4   4   1   2        -0.0269849979
	  4   4   2   1        -0.0269849979
	  6   6   6   6        -0.0218489154
	  4   6   2   6         0.0214821720
	  6   4   6   2         0.0214821720
	  4   5   2   5        -0.0208269379

	Iterations converged.

	Overlap <L|e^T> =        0.89784270681
	Symmetry of left-hand state: A  
	Symmetry of left-hand eigenvector: A  
	Initial overlap of initial guess <L|R> =    0.9999893897
	Checking overlap of initial guess <L|R> =    1.0000000000

	          Solving Lambda Equations
	          ------------------------
	Iter     PseudoEnergy or Norm         RMS  
	----     ---------------------     --------
	   0         0.000184830935039    2.527e-08
	   1        -0.000389152824487    5.320e-03
	   2        -0.000416115499741    1.119e-03
	   3        -0.000421790727265    6.109e-04
	   4        -0.000421845405936    2.759e-04
	   5        -0.000420828909045    9.383e-05
	   6        -0.000420299404203    6.740e-05
	   7        -0.000420662950374    4.490e-05
	   8        -0.000421070109306    2.718e-05
	   9        -0.000421163343686    1.584e-05
	  10        -0.000421262453037    8.604e-06
	  11        -0.000421440553933    3.827e-06
	  12        -0.000421527712149    1.686e-06
	  13        -0.000421546331229    6.831e-07
	  14        -0.000421548957597    2.729e-07
	  15        -0.000421549268269    8.289e-08

	Initial  <L|R>  =        1.0013601695
	Normalizing L...
	L0 * R0 =       -0.0000000000
	L1 * R1 =        0.9357011501
	L2 * R2 =        0.0642988499
	 <L|R>  =        1.0000000000
	Pseudoenergy or Norm of normalized L =   -0.000420976668658

	Largest LIA Amplitudes:
	          6   0        -0.6775248457
	          6   3        -0.0573921394
	          4   0         0.0336698867
	          5   1         0.0289931697
	          3   1        -0.0288432517
	          3   2         0.0285715911
	          5   2        -0.0248302174
	          6   5        -0.0195048075
	          2   0        -0.0156599932
	          6  11         0.0152601159

	Largest LIjAb Amplitudes:
	  3   4   0   2        -0.0437019355
	  4   3   2   0        -0.0437019355
	  2   6   0   0         0.0336627968
	  6   2   0   0         0.0336627968
	  2   3   2   0        -0.0281235558
	  3   2   0   2        -0.0281235558
	  3   6   0   6         0.0264656965
	  6   3   6   0         0.0264656965
	  4   5   2   0         0.0258715197
	  5   4   0   2         0.0258715197

	Iterations converged.

	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    8.289e-08
	   1         1.001651962425206    7.389e-03
	   2         1.001727234547839    1.784e-03
	   3         1.002028606430403    1.438e-03
	   4         1.002342042837004    9.516e-04
	   5         1.002627484049713    6.876e-04
	   6         1.002890492569812    3.610e-04
	   7         1.002938887774968    1.144e-04
	   8         1.002949799189529    6.262e-05
	   9         1.002951918107605    4.595e-05
	  10         1.002953296148266    2.980e-05
	  11         1.002953085992015    1.080e-05
	  12         1.002952249055688    5.619e-06
	  13         1.002952407028423    2.948e-06
	  14         1.002952116118238    1.363e-06
	  15         1.002952138053425    3.210e-07
	  16         1.002952118285699    1.368e-07
	  17         1.002952122776872    4.765e-08

	Initial  <L|R>  =        1.0028455548
	Normalizing L...
	L0 * R0 =        0.0000000000
	L1 * R1 =        0.9523852607
	L2 * R2 =        0.0476147393
	 <L|R>  =        1.0000000000
	Pseudoenergy or Norm of normalized L =    1.000106265627768

	Largest LIA Amplitudes:
	          6   1        -0.5608353561
	          6   2        -0.3902698079
	          6   4        -0.0482140320
	          4   1         0.0436505589
	          4   2         0.0382626267
	          6   6         0.0295091307
	          6  10         0.0277558706
	          5   0         0.0215367870
	          6   7        -0.0206172243
	          6  16         0.0170269534

	Largest LIjAb Amplitudes:
	  3   4   1   2        -0.0367762511
	  4   3   2   1        -0.0367762511
	  3   4   2   2        -0.0238122240
	  4   3   2   2        -0.0238122240
	  2   3   2   1        -0.0234575959
	  3   2   1   2        -0.0234575959
	  4   5   2   1         0.0216098194
	  5   4   1   2         0.0216098194
	  3   4   1   1        -0.0200672997
	  4   3   1   1        -0.0200672997

	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>  =    0.0000054950
	<0|Le^(-T)|S><S|Re^T|0>  =    0.9365751812
	<0|Le^(-T)|D><D|Re^T|0>  =    0.0634193237
	Sum of above             =    1.0000000000
	Approx. excitation level =    1.0634138287

	Projections for excited state, irrep A  , root 1:
	<0|Le^(-T)|0><0|Re^T|0>  =    0.0000000000
	<0|Le^(-T)|S><S|Re^T|0>  =    0.9520821452
	<0|Le^(-T)|D><D|Re^T|0>  =    0.0479178548
	Sum of above             =    1.0000000000
	Approx. excitation level =    1.0479178548
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:31 2008

user time   =       1.41 seconds =       0.02 minutes
system time =       0.72 seconds =       0.01 minutes
total time  =          2 seconds =       0.03 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:32 2008


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


	Nuclear Rep. energy (chkpt)   =   38.253971301900009
	SCF energy          (chkpt)   = -150.779183867918135
	Reference energy    (file100) = -150.779183867918334
	CC2 energy          (CC_INFO) =   -0.383289826852621
	Total CC2 energy    (CC_INFO) = -151.162473694770966

	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     = Yes
	Number of States = 3

	Ground?  State     EOM Energy       R0
	  Yes     0A      0.0000000000   1.00000000
	   No     1A      0.2492849526  -0.00222236
	   No     2A      0.2534596915   0.00000000

	Oscillator Strength for 1A  
	                              X    	       Y    	       Z
	<0|mu_e|n>              -0.00000000 	  0.00604238 	 -0.00000000
	<n|mu_e|0>              -0.00000000 	  0.00474005 	 -0.00000000
	Dipole Strength          0.00002864 
	Oscillator Strength      0.00000476 

	Length-Gauge Rotational Strength for 1A  
	                              X    	       Y    	       Z
	<0|mu_e|n>              -0.00000000 	  0.00604238 	 -0.00000000
	<n|mu_m|0>              -0.00000000 	 -0.32017701 	  0.00000000
	<0|mu_m|n>*             -0.00000000 	 -0.31183616 	  0.00000000
	<n|mu_e|0>*             -0.00000000 	  0.00474005 	 -0.00000000

	Rotational Strength (au)                 -0.00170637
	Rotational Strength (10^-40 esu^2 cm^2)  -0.80445899

	Velocity-Gauge Rotational Strength for 1A  
	                              X    	       Y    	       Z
	<0|mu_e|n>               0.00000000 	  0.01650057 	 -0.00000000
	<n|mu_m|0>              -0.00000000 	 -0.32017701 	  0.00000000
	<0|mu_m|n>*             -0.00000000 	 -0.31183616 	  0.00000000
	<n|mu_e|0>*              0.00000000 	  0.01645055 	 -0.00000000

	Rotational Strength (au)                 -0.02088569
	Rotational Strength (10^-40 esu^2 cm^2)  -9.84642512

	Oscillator Strength for 2A  
	                              X    	       Y    	       Z
	<0|mu_e|n>              -0.06130326 	 -0.00000000 	 -0.09974301
	<n|mu_e|0>              -0.06172509 	 -0.00000000 	 -0.10257504
	Dipole Strength          0.01401509 
	Oscillator Strength      0.00236817 

	Length-Gauge Rotational Strength for 2A  
	                              X    	       Y    	       Z
	<0|mu_e|n>              -0.06130326 	 -0.00000000 	 -0.09974301
	<n|mu_m|0>              -0.04415776 	 -0.00000000 	  0.08478332
	<0|mu_m|n>*             -0.04217438 	  0.00000000 	  0.08276209
	<n|mu_e|0>*             -0.06172509 	 -0.00000000 	 -0.10257504

	Rotational Strength (au)                 -0.00581782
	Rotational Strength (10^-40 esu^2 cm^2)  -2.74277258

	Velocity-Gauge Rotational Strength for 2A  
	                              X    	       Y    	       Z
	<0|mu_e|n>              -0.00650229 	 -0.00000000 	 -0.08776150
	<n|mu_m|0>              -0.04415776 	 -0.00000000 	  0.08478332
	<0|mu_m|n>*             -0.04217438 	  0.00000000 	  0.08276209
	<n|mu_e|0>*             -0.00604506 	 -0.00000000 	 -0.09180461

	Rotational Strength (au)                 -0.02859741
	Rotational Strength (10^-40 esu^2 cm^2)  -13.48206255

	                   Excitation Energy          OS       RS        RS
	State   (eV)    (cm^-1)    (nm)     (au)              (l,au)   (v,au)
	 1A     6.783   54711.7   182.8   0.249285   0.0000  -0.0017  -0.0209
	 2A     6.897   55628.0   179.8   0.253460   0.0024  -0.0058  -0.0286

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

user time   =       0.61 seconds =       0.01 minutes
system time =       0.22 seconds =       0.00 minutes
total time  =          1 seconds =       0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:36:33 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 CC2 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        2.00102390
     1      2          0        1.85295161
     1      3          0       -0.10045405
     1      4          1        1.09959509
     1      5          1        1.57076545
     1      6          1        1.80466497
     1      7          1       -0.08530482
     1      8          1       -0.08335104
     1      9          1        0.05081314
     1     10          2        0.01724618
     1     11          2        0.00680753
     1     12          2        0.00710597
     1     13          2        0.00382101
     1     14          2        0.00640042
     1     15          2       -0.00069332
     2     16          0        2.00102390
     2     17          0        1.85295161
     2     18          0       -0.10045405
     2     19          1        1.09959509
     2     20          1        1.57076545
     2     21          1        1.80466497
     2     22          1       -0.08530482
     2     23          1       -0.08335104
     2     24          1        0.05081314
     2     25          2        0.01724618
     2     26          2        0.00680753
     2     27          2        0.00710597
     2     28          2        0.00382101
     2     29          2        0.00640042
     2     30          2       -0.00069332
     3     31          0        1.08632551
     3     32          0       -0.32355722
     3     33          1        0.01485124
     3     34          1        0.03997119
     3     35          1        0.03101726
     4     36          0        1.08632551
     4     37          0       -0.32355722
     4     38          1        0.01485124
     4     39          1        0.03997119
     4     40          1        0.03101726


 -Atomic bond populations :

           1           2           3           4

    1   8.0246217   0.0898108   0.3374558  -0.0280375
    2   0.0898108   8.0246217  -0.0280375   0.3374558
    3   0.3374558  -0.0280375   0.9888094  -0.0079306
    4  -0.0280375   0.3374558  -0.0079306   0.9888094


 -Gross atomic populations and net charges :

    Center    Atomic Population    Net Charge
    ------    -----------------    ----------
       1            8.151392        -0.151392
       2            8.151392        -0.151392
       3            0.848608        +0.151392
       4            0.848608        +0.151392


 --------------------------------------------------------------
                *** 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  =   1.89704592e-42 C*m  =   0.00000000 a.u.
    mu(Y)  =   2.89726 D  =   9.66420671e-30 C*m  =   1.13986774 a.u.
    mu(Z)  =   0.00000 D  =   4.79479003e-43 C*m  =   0.00000000 a.u.
    |mu|   =   2.89726 D  =   9.66420671e-30 C*m  =   1.13986774 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      -22.28454244    -0.08511134   -0.08350861   -0.03952697
       2      -22.28454244     0.08511134   -0.08350861    0.03952697
       3       -0.97030922    -0.02095780    0.04679548    0.02886388
       4       -0.97030922     0.02095780    0.04679548   -0.02886388


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

    Center           XX                    YY                    ZZ
    ------  --------------------  --------------------  --------------------
       1          -1248.94012385        -1246.26354332        -1244.36695619
       2          -1248.94012385        -1246.26354332        -1244.36695619
       3             -1.45086714           -1.99144156           -1.43313692
       4             -1.45086714           -1.99144156           -1.43313692

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.53880223            0.12400984           -0.84858084
       2             -0.53880223            0.12400984            0.85968916
       3              0.16526532            0.07850508            1.75906326
       4             -0.16526532            0.07850508           -0.74791097


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

    Center        XX - RR/3             YY - RR/3             ZZ - RR/3
    ------  --------------------  --------------------  --------------------
       1             -2.41658273            0.25999780            2.15658493
       2             -2.41658273            0.25999780            2.15658493
       3              0.17428140           -0.36629302            0.19201162
       4              0.17428140           -0.36629302            0.19201162

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.53880223            0.12400984           -0.84858084
       2             -0.53880223            0.12400984            0.85968916
       3              0.16526532            0.07850508            1.75906326
       4             -0.16526532            0.07850508           -0.74791097


 -Electron density (a.u.):

    Center           rho
    ------  --------------------
       1            297.58557487
       2            297.58557487
       3              0.38797564
       4              0.38797564


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

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

    Mass-velocity (p^4) term     :   -0.501707867114575
    One-electron Darwin term     :   0.398339363776962
    Total one-electron MVD terms :   -0.103368503337613

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

 -Gross orbital populations :

  Center   AO          L          Q(AO)
  ------  ----        ---      -----------
     1      1          0        2.00102075
     1      2          0        1.91247996
     1      3          0       -0.18867413
     1      4          1        1.11857006
     1      5          1        1.65044727
     1      6          1        1.43917701
     1      7          1       -0.09717004
     1      8          1       -0.12979659
     1      9          1       -0.01204919
     1     10          2        0.01694919
     1     11          2        0.00377468
     1     12          2        0.00406586
     1     13          2        0.00219246
     1     14          2        0.00287968
     1     15          2       -0.00305850
     2     16          0        2.00102075
     2     17          0        1.91247996
     2     18          0       -0.18867413
     2     19          1        1.11857006
     2     20          1        1.65044727
     2     21          1        1.43917701
     2     22          1       -0.09717004
     2     23          1       -0.12979659
     2     24          1       -0.01204919
     2     25          2        0.01694919
     2     26          2        0.00377468
     2     27          2        0.00406586
     2     28          2        0.00219246
     2     29          2        0.00287968
     2     30          2       -0.00305850
     3     31          0        1.09648027
     3     32          0        0.10421176
     3     33          1        0.01165012
     3     34          1        0.04478337
     3     35          1        0.02206601
     4     36          0        1.09648027
     4     37          0        0.10421176
     4     38          1        0.01165012
     4     39          1        0.04478337
     4     40          1        0.02206601


 -Atomic bond populations :

           1           2           3           4

    1   7.9754804   0.2613405  -0.1348295  -0.1774984
    2   0.2613405   7.9754804  -0.1774984  -0.1348295
    3  -0.1348295  -0.1774984   1.5587613   0.3141786
    4  -0.1774984  -0.1348295   0.3141786   1.5587613


 -Gross atomic populations and net charges :

    Center    Atomic Population    Net Charge
    ------    -----------------    ----------
       1            7.720808        +0.279192
       2            7.720808        +0.279192
       3            1.279192        -0.279192
       4            1.279192        -0.279192


 --------------------------------------------------------------
                *** 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  =   2.28765862e-41 C*m  =   0.00000000 a.u.
    mu(Y)  =  -1.41282 D  =  -4.71265281e-30 C*m  =  -0.55584499 a.u.
    mu(Z)  =  -0.00000 D  =  -1.29922914e-41 C*m  =  -0.00000000 a.u.
    |mu|   =   1.41282 D  =   4.71265281e-30 C*m  =   0.55584499 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      -22.04138428    -0.09135937   -0.05943745   -0.00821065
       2      -22.04138428     0.09135937   -0.05943745    0.00821065
       3       -0.92182609    -0.03266969    0.15687425    0.04184451
       4       -0.92182609     0.03266969    0.15687425   -0.04184451


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

    Center           XX                    YY                    ZZ
    ------  --------------------  --------------------  --------------------
       1          -1250.58379895        -1247.25081568        -1248.29401949
       2          -1250.58379895        -1247.25081568        -1248.29401949
       3             -1.35374159           -1.88718321           -1.35782749
       4             -1.35374159           -1.88718321           -1.35782749

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.49395859           -0.13378835           -0.13751565
       2             -0.49395859           -0.13378835            0.14862397
       3              0.18134269            0.07138819            1.79462418
       4             -0.18134269            0.07138819           -0.78347189


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

    Center        XX - RR/3             YY - RR/3             ZZ - RR/3
    ------  --------------------  --------------------  --------------------
       1             -1.87425424            1.45872903            0.41552522
       2             -1.87425424            1.45872903            0.41552522
       3              0.17917584           -0.35426578            0.17508994
       4              0.17917584           -0.35426578            0.17508994

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.49395859           -0.13378835           -0.13751565
       2             -0.49395859           -0.13378835            0.14862397
       3              0.18134269            0.07138819            1.79462418
       4             -0.18134269            0.07138819           -0.78347189


 -Electron density (a.u.):

    Center           rho
    ------  --------------------
       1            298.10744479
       2            298.10744479
       3              0.36595708
       4              0.36595708


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

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

    Mass-velocity (p^4) term     :   -0.502433380146625
    One-electron Darwin term     :   0.399034126211515
    Total one-electron MVD terms :   -0.103399253935110

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

 -Gross orbital populations :

  Center   AO          L          Q(AO)
  ------  ----        ---      -----------
     1      1          0        2.00102413
     1      2          0        1.89773410
     1      3          0       -0.12532412
     1      4          1        1.37652202
     1      5          1        1.57708096
     1      6          1        1.39961290
     1      7          1       -0.03805459
     1      8          1       -0.09868634
     1      9          1        0.01712568
     1     10          2        0.01505258
     1     11          2        0.00409161
     1     12          2        0.00451588
     1     13          2        0.00480122
     1     14          2        0.00315556
     1     15          2       -0.00186129
     2     16          0        2.00102413
     2     17          0        1.89773410
     2     18          0       -0.12532412
     2     19          1        1.37652202
     2     20          1        1.57708096
     2     21          1        1.39961290
     2     22          1       -0.03805459
     2     23          1       -0.09868634
     2     24          1        0.01712568
     2     25          2        0.01505258
     2     26          2        0.00409161
     2     27          2        0.00451588
     2     28          2        0.00480122
     2     29          2        0.00315556
     2     30          2       -0.00186129
     3     31          0        1.07634729
     3     32          0       -0.19718906
     3     33          1        0.02164202
     3     34          1        0.03863987
     3     35          1        0.02376957
     4     36          0        1.07634729
     4     37          0       -0.19718906
     4     38          1        0.02164202
     4     39          1        0.03863987
     4     40          1        0.02376957


 -Atomic bond populations :

           1           2           3           4

    1   8.3247760  -0.5702485   0.1002175   0.1790539
    2  -0.5702485   8.3247760   0.1790539   0.1002175
    3   0.1002175   0.1790539   1.2107279  -0.1334467
    4   0.1790539   0.1002175  -0.1334467   1.2107279


 -Gross atomic populations and net charges :

    Center    Atomic Population    Net Charge
    ------    -----------------    ----------
       1            8.036790        -0.036790
       2            8.036790        -0.036790
       3            0.963210        +0.036790
       4            0.963210        +0.036790


 --------------------------------------------------------------
                *** 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  =  -1.38017577e-41 C*m  =  -0.00000000 a.u.
    mu(Y)  =   1.98285 D  =   6.61407438e-30 C*m  =   0.78011266 a.u.
    mu(Z)  =   0.00000 D  =   7.82341713e-42 C*m  =   0.00000000 a.u.
    |mu|   =   1.98285 D  =   6.61407438e-30 C*m  =   0.78011266 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      -22.26048145    -0.02859831   -0.06969163   -0.00500483
       2      -22.26048145     0.02859831   -0.06969163    0.00500483
       3       -0.95478649    -0.03344719    0.06345965    0.01270520
       4       -0.95478649     0.03344719    0.06345965   -0.01270520


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

    Center           XX                    YY                    ZZ
    ------  --------------------  --------------------  --------------------
       1          -1250.35576568        -1249.60911770        -1250.30534503
       2          -1250.35576568        -1249.60911770        -1250.30534503
       3             -1.34387228           -1.97457916           -1.41648678
       4             -1.34387228           -1.97457916           -1.41648678

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.98623434            0.29316224           -0.23599273
       2             -0.98623434            0.29316224            0.24710105
       3              0.14305957            0.06239640            1.79356124
       4             -0.14305957            0.06239640           -0.78240895


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

    Center        XX - RR/3             YY - RR/3             ZZ - RR/3
    ------  --------------------  --------------------  --------------------
       1             -0.26568954            0.48095844           -0.21526890
       2             -0.26568954            0.48095844           -0.21526890
       3              0.23444046           -0.39626642            0.16182596
       4              0.23444046           -0.39626642            0.16182596

    Center           XY                    XZ                    YZ
    ------  --------------------  --------------------  --------------------
       1              0.98623434            0.29316224           -0.23599273
       2             -0.98623434            0.29316224            0.24710105
       3              0.14305957            0.06239640            1.79356124
       4             -0.14305957            0.06239640           -0.78240895


 -Electron density (a.u.):

    Center           rho
    ------  --------------------
       1            298.43702239
       2            298.43702239
       3              0.37679441
       4              0.37679441


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

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

    Mass-velocity (p^4) term     :   -0.503328965909105
    One-electron Darwin term     :   0.399477030305759
    Total one-electron MVD terms :   -0.103851935603345

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

Total PSI3 wall time         13 seconds =       0.22 minutes
******************************************************************************