  input .wfn file 
  14 molecular orbitals
 256 primitive functions
   8 atomic centres
  Closed shell SCF wave function 
  alpha MOs           14  beta MOs           14
     32896 non zero density matrix elements among     32896
  indicative origin of the grid 
       -7.150750   -7.150750   -7.150750
  indicative edges along x,y,z 
       14.301500   14.301500   14.301500
  input the origin of the grid x,y,z 
  input edges along x,y,z 
  input the number of intervals along x,y,z 
  73 grid points along x axis
  73 grid points along y axis
 146 grid points along z axis
   elapsed time     70.96sec

   778034 elf values have been written on file: tetrahedrane_elf.sbf                    
   778034 values of the density have been written on file: tetrahedrane_rho.sbf                    
   778034 values of the laplacian have been written on file: tetrahedrane_lap.sbf                    
  function: elf/rho 
  input .wfn file 
  14 molecular orbitals
 256 primitive functions
   8 atomic centres
  Closed shell SCF wave function 
  alpha MOs           14  beta MOs           14
     32896 non zero density matrix elements among     32896


  origin            0.0500      0.0500     -7.2500
  edge              7.2000      7.2000     14.5000
  step              0.1000      0.1000      0.1000
  grid points           72          72         145

  total number of grid points:    778034


  elapsed time in sort procedure     0.41 sec.
  accuracy: 0 very high, 1 high, 2 medium 
  find external core shell attractors?

 Core basins

atom                 attractor position     ELF       eigenvalues        radius

C1                 0.985   0.985   0.985   1.000  -0.007  -0.007  -0.007
                   1.305   1.305   1.305   0.084                         0.553
C2                -0.985  -0.985   0.985   1.000  -0.007  -0.007  -0.007 0.553
C3                -0.985   0.985  -0.985   1.000  -0.007  -0.007  -0.007 0.553
C4                 0.985  -0.985  -0.985   1.000  -0.007  -0.007  -0.007 0.553


 search mode: 0 automatic, >0 number of attractors in input, <0 fast

  elapsed time in attractor search     1.18 sec.


          14  attractors found
 assign grid points? 
  elapsed time in init step       1.41 sec.
  considered grid points       323482
   10% done        0.53 s. spent         5.30 s. expected 
   20% done       12.15 s. spent        60.75 s. expected 
   30% done       17.61 s. spent        58.70 s. expected 
   40% done       22.03 s. spent        55.08 s. expected 
   50% done       25.83 s. spent        51.66 s. expected 
   60% done       29.55 s. spent        49.25 s. expected 
   70% done       32.97 s. spent        47.10 s. expected 
   80% done       36.09 s. spent        45.11 s. expected 
   90% done       38.93 s. spent        43.26 s. expected 
  100% done       41.77 s. spent        41.77 s. expected 


  elapsed time in search step      43.18 sec.
  number of attractors:            14
  border points:                14928       197



  elapsed time in attractor assignment     0.22 sec.



   1   0.985   0.985   0.985   1.000  C(C1)               799    799    0.80  5
   2  -0.985  -0.985   0.985   1.000  C(C2)                 0      0    0.00  5
   3  -0.985   0.985  -0.985   1.000  C(C3)                 0      0    0.00  5
   4   0.985  -0.985  -0.985   1.000  C(C4)                 0      0    0.00  5
   5   2.173   2.173   2.173   1.000  V(H1,C1)         178703  89638   89.64  2
   6  -2.173  -2.173   2.173   1.000  V(H2,C2)              0      0    0.00  2
   7  -2.173   2.173  -2.173   1.000  V(H3,C3)          16070   4201    4.20  2
   8   2.173  -2.173  -2.173   1.000  V(H4,C4)          16070   4201    4.20  2
   9   1.729   0.000   0.000   0.928  V(C1,C4)          37287  19611   19.61  3
  10   0.000   1.729   0.000   0.928  V(C1,C3)          37513  19776   19.78  3
  11   0.000   0.000   1.729   0.928  V(C1,C2)           8142   5627    5.63  3
  12   0.000  -1.729   0.000   0.928  V(C2,C4)              4      4    0.00  3
  13  -1.729   0.000   0.000   0.928  V(C2,C3)              4      4    0.00  3
  14   0.000   0.000  -1.729   0.928  V(C3,C4)          28890  13791   13.79  3


  unassigned grid points    454552         0

 distances from nuclei (A)

V(H1,C1)            C1  
                   1.089
V(H2,C2)            C2  
                   1.089
V(H3,C3)            C3  
                   1.089
V(H4,C4)            C4  
                   1.089
V(C1,C4)            C1      C4  
                   0.836   0.836
V(C1,C3)            C1      C3  
                   0.836   0.836
V(C1,C2)            C1      C2  
                   0.836   0.836
V(C2,C4)            C2      C4  
                   0.836   0.836
V(C2,C3)            C2      C3  
                   0.836   0.836
V(C3,C4)            C3      C4  
                   0.836   0.836

 angles around core attractors 

V(H1,C1)        C(C1)           V(C1,C4)             116.648
V(H1,C1)        C(C1)           V(C1,C3)             116.648
V(H1,C1)        C(C1)           V(C1,C2)             116.648
V(C1,C4)        C(C1)           V(C1,C3)             101.435
V(C1,C4)        C(C1)           V(C1,C2)             101.435
V(C1,C3)        C(C1)           V(C1,C2)             101.435
V(H2,C2)        C(C2)           V(C1,C2)             116.657
V(H2,C2)        C(C2)           V(C2,C4)             116.657
V(H2,C2)        C(C2)           V(C2,C3)             116.657
V(C1,C2)        C(C2)           V(C2,C4)             101.425
V(C1,C2)        C(C2)           V(C2,C3)             101.425
V(C2,C4)        C(C2)           V(C2,C3)             101.425
V(H3,C3)        C(C3)           V(C1,C3)             116.657
V(H3,C3)        C(C3)           V(C2,C3)             116.657
V(H3,C3)        C(C3)           V(C3,C4)             116.657
V(C1,C3)        C(C3)           V(C2,C3)             101.425
V(C1,C3)        C(C3)           V(C3,C4)             101.425
V(C2,C3)        C(C3)           V(C3,C4)             101.425
V(H4,C4)        C(C4)           V(C1,C4)             116.657
V(H4,C4)        C(C4)           V(C2,C4)             116.657
V(H4,C4)        C(C4)           V(C3,C4)             116.657
V(C1,C4)        C(C4)           V(C2,C4)             101.425
V(C1,C4)        C(C4)           V(C3,C4)             101.425
V(C2,C4)        C(C4)           V(C3,C4)             101.425

 angles around polysynaptic attractors 

C1  V(C1,C4)        C4       123.833
C1  V(C1,C3)        C3       123.833
C1  V(C1,C2)        C2       123.833
C2  V(C2,C4)        C4       123.842
C2  V(C2,C3)        C3       123.842
C3  V(C3,C4)        C4       123.842
  function: elf/rho 
  input .wfn file 
  14 molecular orbitals
 256 primitive functions
   8 atomic centres
  Closed shell SCF wave function 
  alpha MOs           14  beta MOs           14
     32896 non zero density matrix elements among     32896


  origin            0.0500      0.0500     -7.2500
  edge              7.2000      7.2000     14.5000
  step              0.1000      0.1000      0.1000
  grid points           72          72         145

  total number of grid points:    778034


  elapsed time in sort procedure     0.32 sec.
  accuracy: 0 very high, 1 high, 2 medium 
Atom(C1  )         0.985   0.985   0.985
Atom(C2  )        -0.985  -0.985   0.985
Atom(C3  )        -0.985   0.985  -0.985
Atom(C4  )         0.985  -0.985  -0.985
Atom(H1  )         2.151   2.151   2.151
Atom(H2  )        -2.151  -2.151   2.151
Atom(H3  )        -2.151   2.151  -2.151
Atom(H4  )         2.151  -2.151  -2.151


 assign grid points? 
  elapsed time in init step       0.53 sec.
  considered grid points       251270
   10% done        2.31 s. spent        23.10 s. expected 
   20% done        4.61 s. spent        23.05 s. expected 
   30% done        7.03 s. spent        23.43 s. expected 
   40% done        9.52 s. spent        23.80 s. expected 
   50% done       11.90 s. spent        23.80 s. expected 
   60% done       14.20 s. spent        23.67 s. expected 
   70% done       16.27 s. spent        23.24 s. expected 
   80% done       18.25 s. spent        22.81 s. expected 
   90% done       20.09 s. spent        22.32 s. expected 
  100% done       21.91 s. spent        21.91 s. expected 


  elapsed time in search step      22.44 sec.
  number of attractors:             8
  border points:                12089       232




   1   0.985   0.985   0.985   0.000  Atom(C1  )        90906  90906   90.91  5
   2  -0.985  -0.985   0.985   0.000  Atom(C2  )           95     95    0.10  5
   3  -0.985   0.985  -0.985   0.000  Atom(C3  )        33333  33333   33.33  5
   4   0.985  -0.985  -0.985   0.000  Atom(C4  )        33736  33736   33.74  5
   5   2.151   2.151   2.151   0.000  Atom(H1  )        93197  93197   93.20  5
   6  -2.151  -2.151   2.151   0.000  Atom(H2  )            3      3    0.00  5
   7  -2.151   2.151  -2.151   0.000  Atom(H3  )            0      0    0.00  5
   8   2.151  -2.151  -2.151   0.000  Atom(H4  )            0      0    0.00  5


  unassigned grid points    526764         0
  input sbf file 
  old limits      0.050     7.250     0.050     7.250    -7.250     7.250
  number of symmetry operations 
  symmetry operations symbol 
  symmetry operations coordinates 
  symmetry operations symbol 
  symmetry operations coordinates 



    1    0    0         0.000000
    0   -1    0         0.000000
    0    0   -1         0.000000



   -1    0    0         0.000000
    0    1    0         0.000000
    0    0   -1         0.000000
  new limits     -7.250     7.250    -7.250     7.250    -7.250     7.250
   73   73  146
  146  146  146
  input sbf file 
  old limits      0.050     7.250     0.050     7.250    -7.250     7.250
  number of symmetry operations 
  symmetry operations symbol 
  symmetry operations coordinates 
  symmetry operations symbol 
  symmetry operations coordinates 



    1    0    0         0.000000
    0   -1    0         0.000000
    0    0   -1         0.000000



   -1    0    0         0.000000
    0    1    0         0.000000
    0    0   -1         0.000000
  new limits     -7.250     7.250    -7.250     7.250    -7.250     7.250
   73   73  146
  146  146  146
  function: elf/rho 
  input .wfn file 
  requested file does not exist: 9                                      
  input sbf file name 
  input sbf file name 
  input .wfn file 
  14 molecular orbitals
 256 primitive functions
   8 atomic centres
  Closed shell SCF wave function 
  alpha MOs           14  beta MOs           14
     32896 non zero density matrix elements among     32896
  threshold for integration tol ==> 10-tol 
  number of ELF and AIM basins considered 
  tetrahedrane_ebas.sbf                   
    number of localization basins   14
  tetrahedrane_rbas.sbf                   
    number of atomic basins    8
    total integrated density    27.997841
    total variance     0.002158


  basin               vol.    pop.    pab     paa    pbb     sigma2  std. dev.


  1 C(C1)             0.80    2.09    2.19    0.18    0.18    0.27    0.52
  2 C(C2)             0.80    2.09    2.19    0.18    0.18    0.27    0.52
  3 C(C3)             0.80    2.09    2.19    0.18    0.18    0.27    0.52
  4 C(C4)             0.80    2.09    2.19    0.18    0.18    0.27    0.52
  5 V(C1,H1)        210.84    2.20    2.41    0.46    0.46    0.71    0.84
  6 V(C2,H2)        210.84    2.20    2.41    0.46    0.46    0.71    0.84
  7 V(C3,H3)        210.84    2.20    2.41    0.46    0.46    0.71    0.84
  8 V(C4,H4)        210.84    2.20    2.41    0.46    0.46    0.71    0.84
  9 V(C1,C4)         74.58    1.80    1.63    0.41    0.41    1.00    1.00
 10 V(C1,C3)         75.03    1.84    1.69    0.43    0.43    1.01    1.01
 11 V(C1,C2)         74.06    1.77    1.57    0.39    0.39    0.98    0.99
 12 V(C2,C4)         75.03    1.84    1.69    0.43    0.43    1.01    1.01
 13 V(C2,C3)         74.58    1.80    1.63    0.41    0.41    1.00    1.00
 14 V(C3,C4)         74.06    1.77    1.57    0.39    0.39    0.98    0.99


 sum of populations    27.987127



  basin               pa      paa.    sigma2  pb     pbb     sigma2


  1 C(C1)             1.05    0.18    0.13    1.05    0.18    0.13
  2 C(C2)             1.05    0.18    0.13    1.05    0.18    0.13
  3 C(C3)             1.05    0.18    0.13    1.05    0.18    0.13
  4 C(C4)             1.05    0.18    0.13    1.05    0.18    0.13
  5 V(C1,H1)          1.10    0.46    0.35    1.10    0.46    0.35
  6 V(C2,H2)          1.10    0.46    0.35    1.10    0.46    0.35
  7 V(C3,H3)          1.10    0.46    0.35    1.10    0.46    0.35
  8 V(C4,H4)          1.10    0.46    0.35    1.10    0.46    0.35
  9 V(C1,C4)          0.90    0.41    0.50    0.90    0.41    0.50
 10 V(C1,C3)          0.92    0.43    0.51    0.92    0.43    0.51
 11 V(C1,C2)          0.89    0.39    0.49    0.89    0.39    0.49
 12 V(C2,C4)          0.92    0.43    0.51    0.92    0.43    0.51
 13 V(C2,C3)          0.90    0.41    0.50    0.90    0.41    0.50
 14 V(C3,C4)          0.89    0.39    0.49    0.89    0.39    0.49


 orbital contributions 



                     1     2     3     4     5     6     7     8     9    10


 C(C1)             0.47  0.47  0.47  0.47  0.02  0.02  0.02  0.02  0.02  0.02
 C(C2)             0.47  0.47  0.47  0.47  0.02  0.02  0.02  0.02  0.02  0.02
 C(C3)             0.47  0.47  0.47  0.47  0.02  0.02  0.02  0.02  0.02  0.02
 C(C4)             0.47  0.47  0.47  0.47  0.02  0.02  0.02  0.02  0.02  0.02
 V(C1,H1)          0.01  0.01  0.01  0.01  0.02  0.28  0.28  0.28  0.39  0.22
 V(C2,H2)          0.01  0.01  0.01  0.01  0.02  0.28  0.28  0.28  0.39  0.22
 V(C3,H3)          0.01  0.01  0.01  0.01  0.02  0.28  0.28  0.28  0.39  0.22
 V(C4,H4)          0.01  0.01  0.01  0.01  0.02  0.28  0.28  0.28  0.39  0.22
 V(C1,C4)          0.01  0.01  0.01  0.01  0.30  0.05  0.32  0.05  0.07  0.10
 V(C1,C3)          0.01  0.01  0.01  0.01  0.32  0.05  0.05  0.32  0.07  0.10
 V(C1,C2)          0.01  0.01  0.01  0.01  0.29  0.32  0.05  0.05  0.06  0.31
 V(C2,C4)          0.01  0.01  0.01  0.01  0.32  0.05  0.05  0.32  0.07  0.10
 V(C2,C3)          0.01  0.01  0.01  0.01  0.30  0.05  0.32  0.05  0.07  0.10
 V(C3,C4)          0.01  0.01  0.01  0.01  0.29  0.32  0.05  0.05  0.06  0.31


                    11    12    13    14


 C(C1)             0.02  0.02  0.03  0.03
 C(C2)             0.02  0.02  0.03  0.03
 C(C3)             0.02  0.02  0.03  0.03
 C(C4)             0.02  0.02  0.03  0.03
 V(C1,H1)          0.22  0.22  0.13  0.13
 V(C2,H2)          0.22  0.22  0.13  0.13
 V(C3,H3)          0.22  0.22  0.13  0.13
 V(C4,H4)          0.22  0.22  0.13  0.13
 V(C1,C4)          0.32  0.10  0.17  0.29
 V(C1,C3)          0.10  0.32  0.40  0.06
 V(C1,C2)          0.09  0.09  0.11  0.35
 V(C2,C4)          0.10  0.32  0.40  0.06
 V(C2,C3)          0.32  0.10  0.17  0.29
 V(C3,C4)          0.09  0.09  0.11  0.35


 atomic contributions 



                   C1    C2    C3    C4    H1    H2    H3    H4  


 C(C1)             2.09  0.00  0.00  0.00  0.00  0.00  0.00  0.00
 C(C2)             0.00  2.09  0.00  0.00  0.00  0.00  0.00  0.00
 C(C3)             0.00  0.00  2.09  0.00  0.00  0.00  0.00  0.00
 C(C4)             0.00  0.00  0.00  2.09  0.00  0.00  0.00  0.00
 V(C1,H1)          1.34  0.00  0.00  0.00  0.86  0.00  0.00  0.00
 V(C2,H2)          0.00  1.34  0.00  0.00  0.00  0.86  0.00  0.00
 V(C3,H3)          0.00  0.00  1.34  0.00  0.00  0.00  0.86  0.00
 V(C4,H4)          0.00  0.00  0.00  1.34  0.00  0.00  0.00  0.86
 V(C1,C4)          0.90  0.00  0.00  0.90  0.00  0.00  0.00  0.00
 V(C1,C3)          0.92  0.00  0.92  0.00  0.00  0.00  0.00  0.00
 V(C1,C2)          0.89  0.89  0.00  0.00  0.00  0.00  0.00  0.00
 V(C2,C4)          0.00  0.92  0.00  0.92  0.00  0.00  0.00  0.00
 V(C2,C3)          0.00  0.90  0.90  0.00  0.00  0.00  0.00  0.00
 V(C3,C4)          0.00  0.00  0.89  0.89  0.00  0.00  0.00  0.00


 alpha spin covariance matrix

                     1     2     3     4     5     6     7     8     9    10


 C(C1)             0.13  0.00  0.00  0.00 -0.04  0.00  0.00  0.00 -0.03 -0.03
 C(C2)             0.00  0.13  0.00  0.00  0.00 -0.04  0.00  0.00  0.00  0.00
 C(C3)             0.00  0.00  0.13  0.00  0.00  0.00 -0.04  0.00  0.00 -0.03
 C(C4)             0.00  0.00  0.00  0.13  0.00  0.00  0.00 -0.04 -0.03  0.00
 V(C1,H1)         -0.04  0.00  0.00  0.00  0.35 -0.01 -0.01 -0.01 -0.08 -0.08
 V(C2,H2)          0.00 -0.04  0.00  0.00 -0.01  0.35 -0.01 -0.01 -0.01 -0.01
 V(C3,H3)          0.00  0.00 -0.04  0.00 -0.01 -0.01  0.35 -0.01 -0.01 -0.08
 V(C4,H4)          0.00  0.00  0.00 -0.04 -0.01 -0.01 -0.01  0.35 -0.08 -0.01
 V(C1,C4)         -0.03  0.00  0.00 -0.03 -0.08 -0.01 -0.01 -0.08  0.50 -0.06
 V(C1,C3)         -0.03  0.00 -0.03  0.00 -0.08 -0.01 -0.08 -0.01 -0.06  0.51
 V(C1,C2)         -0.03 -0.03  0.00  0.00 -0.08 -0.08 -0.01 -0.01 -0.06 -0.06
 V(C2,C4)          0.00 -0.03  0.00 -0.03 -0.01 -0.08 -0.01 -0.08 -0.06 -0.01
 V(C2,C3)          0.00 -0.03 -0.03  0.00 -0.01 -0.08 -0.08 -0.01 -0.01 -0.06
 V(C3,C4)          0.00  0.00 -0.03 -0.03 -0.01 -0.01 -0.08 -0.08 -0.06 -0.06

                    11    12    13    14


 C(C1)            -0.03  0.00  0.00  0.00
 C(C2)            -0.03 -0.03 -0.03  0.00
 C(C3)             0.00  0.00 -0.03 -0.03
 C(C4)             0.00 -0.03  0.00 -0.03
 V(C1,H1)         -0.08 -0.01 -0.01 -0.01
 V(C2,H2)         -0.08 -0.08 -0.08 -0.01
 V(C3,H3)         -0.01 -0.01 -0.08 -0.08
 V(C4,H4)         -0.01 -0.08 -0.01 -0.08
 V(C1,C4)         -0.06 -0.06 -0.01 -0.06
 V(C1,C3)         -0.06 -0.01 -0.06 -0.06
 V(C1,C2)          0.49 -0.06 -0.06 -0.01
 V(C2,C4)         -0.06  0.51 -0.06 -0.06
 V(C2,C3)         -0.06 -0.06  0.50 -0.06
 V(C3,C4)         -0.01 -0.06 -0.06  0.49





 correlation coefficients

                     1     2     3     4     5     6     7     8     9    10


 C(C1)             1.00  0.00  0.00  0.00 -0.18 -0.01 -0.01 -0.01 -0.10 -0.10
 C(C2)             0.00  1.00  0.00  0.00 -0.01 -0.18 -0.01 -0.01 -0.01 -0.01
 C(C3)             0.00  0.00  1.00  0.00 -0.01 -0.01 -0.18 -0.01 -0.01 -0.10
 C(C4)             0.00  0.00  0.00  1.00 -0.01 -0.01 -0.01 -0.18 -0.10 -0.01
 V(C1,H1)         -0.18 -0.01 -0.01 -0.01  1.00 -0.03 -0.03 -0.03 -0.20 -0.20
 V(C2,H2)         -0.01 -0.18 -0.01 -0.01 -0.03  1.00 -0.03 -0.03 -0.02 -0.02
 V(C3,H3)         -0.01 -0.01 -0.18 -0.01 -0.03 -0.03  1.00 -0.03 -0.02 -0.20
 V(C4,H4)         -0.01 -0.01 -0.01 -0.18 -0.03 -0.03 -0.03  1.00 -0.20 -0.02
 V(C1,C4)         -0.10 -0.01 -0.01 -0.10 -0.20 -0.02 -0.02 -0.20  1.00 -0.13
 V(C1,C3)         -0.10 -0.01 -0.10 -0.01 -0.20 -0.02 -0.20 -0.02 -0.13  1.00
 V(C1,C2)         -0.10 -0.10 -0.01 -0.01 -0.20 -0.20 -0.02 -0.02 -0.12 -0.12
 V(C2,C4)         -0.01 -0.10 -0.01 -0.10 -0.02 -0.20 -0.02 -0.20 -0.13 -0.02
 V(C2,C3)         -0.01 -0.10 -0.10 -0.01 -0.02 -0.20 -0.20 -0.02 -0.02 -0.13
 V(C3,C4)         -0.01 -0.01 -0.10 -0.10 -0.02 -0.02 -0.20 -0.20 -0.12 -0.12

                    11    12    13    14


 C(C1)            -0.10 -0.01 -0.01 -0.01
 C(C2)            -0.10 -0.10 -0.10 -0.01
 C(C3)            -0.01 -0.01 -0.10 -0.10
 C(C4)            -0.01 -0.10 -0.01 -0.10
 V(C1,H1)         -0.20 -0.02 -0.02 -0.02
 V(C2,H2)         -0.20 -0.20 -0.20 -0.02
 V(C3,H3)         -0.02 -0.02 -0.20 -0.20
 V(C4,H4)         -0.02 -0.20 -0.02 -0.20
 V(C1,C4)         -0.12 -0.13 -0.02 -0.12
 V(C1,C3)         -0.12 -0.02 -0.13 -0.12
 V(C1,C2)          1.00 -0.12 -0.12 -0.02
 V(C2,C4)         -0.12  1.00 -0.13 -0.12
 V(C2,C3)         -0.12 -0.13  1.00 -0.12
 V(C3,C4)         -0.02 -0.12 -0.12  1.00








 total covariance matrix

                     1     2     3     4     5     6     7     8     9    10


 C(C1)             0.27  0.00  0.00  0.00 -0.08  0.00  0.00  0.00 -0.05 -0.05
 C(C2)             0.00  0.27  0.00  0.00  0.00 -0.08  0.00  0.00 -0.01 -0.01
 C(C3)             0.00  0.00  0.27  0.00  0.00  0.00 -0.08  0.00 -0.01 -0.05
 C(C4)             0.00  0.00  0.00  0.27  0.00  0.00  0.00 -0.08 -0.05 -0.01
 V(C1,H1)         -0.08  0.00  0.00  0.00  0.71 -0.02 -0.02 -0.02 -0.17 -0.17
 V(C2,H2)          0.00 -0.08  0.00  0.00 -0.02  0.71 -0.02 -0.02 -0.02 -0.02
 V(C3,H3)          0.00  0.00 -0.08  0.00 -0.02 -0.02  0.71 -0.02 -0.02 -0.17
 V(C4,H4)          0.00  0.00  0.00 -0.08 -0.02 -0.02 -0.02  0.71 -0.17 -0.02
 V(C1,C4)         -0.05 -0.01 -0.01 -0.05 -0.17 -0.02 -0.02 -0.17  1.00 -0.13
 V(C1,C3)         -0.05 -0.01 -0.05 -0.01 -0.17 -0.02 -0.17 -0.02 -0.13  1.01
 V(C1,C2)         -0.05 -0.05  0.00  0.00 -0.16 -0.16 -0.02 -0.02 -0.12 -0.12
 V(C2,C4)         -0.01 -0.05 -0.01 -0.05 -0.02 -0.17 -0.02 -0.17 -0.13 -0.03
 V(C2,C3)         -0.01 -0.05 -0.05 -0.01 -0.02 -0.17 -0.17 -0.02 -0.02 -0.13
 V(C3,C4)          0.00  0.00 -0.05 -0.05 -0.02 -0.02 -0.16 -0.16 -0.12 -0.12

                    11    12    13    14


 C(C1)            -0.05 -0.01 -0.01  0.00
 C(C2)            -0.05 -0.05 -0.05  0.00
 C(C3)             0.00 -0.01 -0.05 -0.05
 C(C4)             0.00 -0.05 -0.01 -0.05
 V(C1,H1)         -0.16 -0.02 -0.02 -0.02
 V(C2,H2)         -0.16 -0.17 -0.17 -0.02
 V(C3,H3)         -0.02 -0.02 -0.17 -0.16
 V(C4,H4)         -0.02 -0.17 -0.02 -0.16
 V(C1,C4)         -0.12 -0.13 -0.02 -0.12
 V(C1,C3)         -0.12 -0.03 -0.13 -0.12
 V(C1,C2)          0.98 -0.12 -0.12 -0.02
 V(C2,C4)         -0.12  1.01 -0.13 -0.12
 V(C2,C3)         -0.12 -0.13  1.00 -0.12
 V(C3,C4)         -0.02 -0.12 -0.12  0.98





 correlation coefficients

                     1     2     3     4     5     6     7     8     9    10


 C(C1)             1.00  0.00  0.00  0.00 -0.18 -0.01 -0.01 -0.01 -0.10 -0.10
 C(C2)             0.00  1.00  0.00  0.00 -0.01 -0.18 -0.01 -0.01 -0.01 -0.01
 C(C3)             0.00  0.00  1.00  0.00 -0.01 -0.01 -0.18 -0.01 -0.01 -0.10
 C(C4)             0.00  0.00  0.00  1.00 -0.01 -0.01 -0.01 -0.18 -0.10 -0.01
 V(C1,H1)         -0.18 -0.01 -0.01 -0.01  1.00 -0.03 -0.03 -0.03 -0.20 -0.20
 V(C2,H2)         -0.01 -0.18 -0.01 -0.01 -0.03  1.00 -0.03 -0.03 -0.02 -0.02
 V(C3,H3)         -0.01 -0.01 -0.18 -0.01 -0.03 -0.03  1.00 -0.03 -0.02 -0.20
 V(C4,H4)         -0.01 -0.01 -0.01 -0.18 -0.03 -0.03 -0.03  1.00 -0.20 -0.02
 V(C1,C4)         -0.10 -0.01 -0.01 -0.10 -0.20 -0.02 -0.02 -0.20  1.00 -0.13
 V(C1,C3)         -0.10 -0.01 -0.10 -0.01 -0.20 -0.02 -0.20 -0.02 -0.13  1.00
 V(C1,C2)         -0.10 -0.10 -0.01 -0.01 -0.20 -0.20 -0.02 -0.02 -0.12 -0.12
 V(C2,C4)         -0.01 -0.10 -0.01 -0.10 -0.02 -0.20 -0.02 -0.20 -0.13 -0.02
 V(C2,C3)         -0.01 -0.10 -0.10 -0.01 -0.02 -0.20 -0.20 -0.02 -0.02 -0.13
 V(C3,C4)         -0.01 -0.01 -0.10 -0.10 -0.02 -0.02 -0.20 -0.20 -0.12 -0.12

                    11    12    13    14


 C(C1)            -0.10 -0.01 -0.01 -0.01
 C(C2)            -0.10 -0.10 -0.10 -0.01
 C(C3)            -0.01 -0.01 -0.10 -0.10
 C(C4)            -0.01 -0.10 -0.01 -0.10
 V(C1,H1)         -0.20 -0.02 -0.02 -0.02
 V(C2,H2)         -0.20 -0.20 -0.20 -0.02
 V(C3,H3)         -0.02 -0.02 -0.20 -0.20
 V(C4,H4)         -0.02 -0.20 -0.02 -0.20
 V(C1,C4)         -0.12 -0.13 -0.02 -0.12
 V(C1,C3)         -0.12 -0.02 -0.13 -0.12
 V(C1,C2)          1.00 -0.12 -0.12 -0.02
 V(C2,C4)         -0.12  1.00 -0.13 -0.12
 V(C2,C3)         -0.12 -0.13  1.00 -0.12
 V(C3,C4)         -0.02 -0.12 -0.12  1.00




  elapsed time   407.11sec.


  AIM  ANALYSIS 


  basin               vol.    pop.    pab     paa    pbb     sigma2 std. dev.


  1 C1              158.07    6.14   18.82    7.38    7.38    2.07    1.44
  2 C2              158.07    6.14   18.82    7.38    7.38    2.07    1.44
  3 C3              158.07    6.14   18.82    7.38    7.38    2.07    1.44
  4 C4              158.07    6.14   18.82    7.38    7.38    2.07    1.44
  5 H1               93.20    0.86    0.37    0.02    0.02    0.53    0.73
  6 H2               93.20    0.86    0.37    0.02    0.02    0.53    0.73
  7 H3               93.20    0.86    0.37    0.02    0.02    0.53    0.73
  8 H4               93.20    0.86    0.37    0.02    0.02    0.53    0.73


 sum of atomic populations    27.969939



 orbital contributions 



                     1     2     3     4     5     6     7     8     9    10


 C1                0.50  0.50  0.50  0.50  0.50  0.39  0.39  0.39  0.32  0.39
 C2                0.50  0.50  0.50  0.50  0.50  0.39  0.39  0.39  0.32  0.39
 C3                0.50  0.50  0.50  0.50  0.50  0.39  0.39  0.39  0.32  0.39
 C4                0.50  0.50  0.50  0.50  0.50  0.39  0.39  0.39  0.32  0.39
 H1                0.00  0.00  0.00  0.00  0.00  0.11  0.11  0.11  0.18  0.11
 H2                0.00  0.00  0.00  0.00  0.00  0.11  0.11  0.11  0.18  0.11
 H3                0.00  0.00  0.00  0.00  0.00  0.11  0.11  0.11  0.18  0.11
 H4                0.00  0.00  0.00  0.00  0.00  0.11  0.11  0.11  0.18  0.11


                    11    12    13    14


 C1                0.39  0.39  0.48  0.48
 C2                0.39  0.39  0.48  0.48
 C3                0.39  0.39  0.48  0.48
 C4                0.39  0.39  0.48  0.48
 H1                0.11  0.11  0.02  0.02
 H2                0.11  0.11  0.02  0.02
 H3                0.11  0.11  0.02  0.02
 H4                0.11  0.11  0.02  0.02


 alpha spin covariance matrix

                     1     2     3     4     5     6     7     8


 C1                1.03 -0.25 -0.26 -0.26 -0.23 -0.01 -0.01 -0.01
 C2               -0.25  1.03 -0.26 -0.26 -0.01 -0.23 -0.01 -0.01
 C3               -0.26 -0.26  1.03 -0.25 -0.01 -0.01 -0.23 -0.01
 C4               -0.26 -0.26 -0.25  1.03 -0.01 -0.01 -0.01 -0.23
 H1               -0.23 -0.01 -0.01 -0.01  0.26  0.00  0.00  0.00
 H2               -0.01 -0.23 -0.01 -0.01  0.00  0.26  0.00  0.00
 H3               -0.01 -0.01 -0.23 -0.01  0.00  0.00  0.26  0.00
 H4               -0.01 -0.01 -0.01 -0.23  0.00  0.00  0.00  0.26





 correlation coefficients

                     1     2     3     4     5     6     7     8


 C1                1.00 -0.24 -0.25 -0.25 -0.45 -0.02 -0.02 -0.02
 C2               -0.24  1.00 -0.25 -0.25 -0.02 -0.45 -0.02 -0.02
 C3               -0.25 -0.25  1.00 -0.24 -0.02 -0.02 -0.45 -0.02
 C4               -0.25 -0.25 -0.24  1.00 -0.02 -0.02 -0.02 -0.45
 H1               -0.45 -0.02 -0.02 -0.02  1.00  0.00  0.00  0.00
 H2               -0.02 -0.45 -0.02 -0.02  0.00  1.00  0.00  0.00
 H3               -0.02 -0.02 -0.45 -0.02  0.00  0.00  1.00  0.00
 H4               -0.02 -0.02 -0.02 -0.45  0.00  0.00  0.00  1.00








 total covariance matrix

                     1     2     3     4     5     6     7     8


 C1                2.07 -0.50 -0.52 -0.52 -0.47 -0.02 -0.02 -0.02
 C2               -0.50  2.07 -0.52 -0.52 -0.02 -0.47 -0.02 -0.02
 C3               -0.52 -0.52  2.07 -0.50 -0.02 -0.02 -0.47 -0.02
 C4               -0.52 -0.52 -0.50  2.07 -0.02 -0.02 -0.02 -0.47
 H1               -0.47 -0.02 -0.02 -0.02  0.53  0.00  0.00  0.00
 H2               -0.02 -0.47 -0.02 -0.02  0.00  0.53  0.00  0.00
 H3               -0.02 -0.02 -0.47 -0.02  0.00  0.00  0.53  0.00
 H4               -0.02 -0.02 -0.02 -0.47  0.00  0.00  0.00  0.53





 correlation coefficients

                     1     2     3     4     5     6     7     8


 C1                1.00 -0.24 -0.25 -0.25 -0.45 -0.02 -0.02 -0.02
 C2               -0.24  1.00 -0.25 -0.25 -0.02 -0.45 -0.02 -0.02
 C3               -0.25 -0.25  1.00 -0.24 -0.02 -0.02 -0.45 -0.02
 C4               -0.25 -0.25 -0.24  1.00 -0.02 -0.02 -0.02 -0.45
 H1               -0.45 -0.02 -0.02 -0.02  1.00  0.00  0.00  0.00
 H2               -0.02 -0.45 -0.02 -0.02  0.00  1.00  0.00  0.00
 H3               -0.02 -0.02 -0.45 -0.02  0.00  0.00  1.00  0.00
 H4               -0.02 -0.02 -0.02 -0.45  0.00  0.00  0.00  1.00




  elapsed time   407.11sec.
