$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  g

 Overall System Contents :

 Number of Atoms                                8
 Number of Molecules                            2
 Total System Mass                        34.0620

 Force Field Name :                   AMOEBA-2009

 VDW Function                       BUFFERED-14-7
 Size Descriptor                            R-MIN
 Size Unit Type                          DIAMETER
 Size Combining Rule                   CUBIC-MEAN
 Well Depth Rule                              HHG

 Electrostatics                  ATOMIC MULTIPOLE
 Electrostatics                    INDUCED DIPOLE

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  p

 List Atoms for which Output is Desired [ALL] :
    >  ALL

 Interactions and Sites :

 Atomic Sites                                   8
 Bond Stretches                                 6
 Angle Bends                                    6
 Van der Waals Sites                            8
 Atomic Multipoles                              8
 Polarizable Sites                              8

 Atom Type Definition Parameters :

   Atom  Symbol  Type  Class  Atomic   Mass  Valence  Description

     1     N       61     45     7    14.007    3     Ammonia N
     2     H       62     46     1     1.008    1     Ammonia H3N
     3     H       62     46     1     1.008    1     Ammonia H3N
     4     H       62     46     1     1.008    1     Ammonia H3N
     5     N       61     45     7    14.007    3     Ammonia N
     6     H       62     46     1     1.008    1     Ammonia H3N
     7     H       62     46     1     1.008    1     Ammonia H3N
     8     H       62     46     1     1.008    1     Ammonia H3N

 Van der Waals Parameters :

          Atom Number       Size   Epsilon   Size 1-4   Eps 1-4   Reduction

     1        1           3.7100    0.1050
     2        2           2.7000    0.0200                          0.9100
     3        3           2.7000    0.0200                          0.9100
     4        4           2.7000    0.0200                          0.9100
     5        5           3.7100    0.1050
     6        6           2.7000    0.0200                          0.9100
     7        7           2.7000    0.0200                          0.9100
     8        8           2.7000    0.0200                          0.9100

 Bond Stretching Parameters :

          Atom Numbers                         KS       Bond

     1        1     2                      516.500    1.0120
     2        1     3                      516.500    1.0120
     3        1     4                      516.500    1.0120
     4        5     6                      516.500    1.0120
     5        5     7                      516.500    1.0120
     6        5     8                      516.500    1.0120

 Angle Bending Parameters :

             Atom Numbers                      KB      Angle   Fold    Type

     1        2     1     3                 43.520   106.800
     2        2     1     4                 43.520   106.800
     3        3     1     4                 43.520   106.800
     4        6     5     7                 43.520   106.800
     5        6     5     8                 43.520   106.800
     6        7     5     8                 43.520   106.800

 Atomic Multipole Parameters :

           Atom   Z-Axis X-Axis Y-Axis  Frame           Multipole Moments

     1        1       2      3      4   3-Fold     -0.22011
                                                    0.00075  0.00130  0.25195
                                                    0.35844
                                                    0.00000  0.35844
                                                    0.00000  0.00000 -0.71688
     2        2       1      3      4   Z-Bisect    0.07337
                                                   -0.01475 -0.00127 -0.16197
                                                   -0.05100
                                                    0.00000  0.04892
                                                    0.02991  0.00000  0.00208
     3        3       1      2      4   Z-Bisect    0.07337
                                                   -0.01475  0.00126 -0.16197
                                                   -0.05100
                                                    0.00000  0.04892
                                                    0.02991  0.00000  0.00208
     4        4       1      2      3   Z-Bisect    0.07337
                                                   -0.01033  0.00000 -0.15554
                                                   -0.05100
                                                    0.00000  0.04892
                                                    0.02991  0.00000  0.00208
     5        5       6      7      8   3-Fold     -0.22011
                                                   -0.03087  0.00000  0.27461
                                                    0.35844
                                                    0.00000  0.35844
                                                    0.00000  0.00000 -0.71688
     6        6       5      7      8   Z-Bisect    0.07337
                                                   -0.01913  0.00657 -0.18447
                                                   -0.05100
                                                    0.00000  0.04892
                                                    0.02991  0.00000  0.00208
     7        7       5      6      8   Z-Bisect    0.07337
                                                   -0.00773  0.00000 -0.08459
                                                   -0.05100
                                                    0.00000  0.04892
                                                    0.02991  0.00000  0.00208
     8        8       5      6      7   Z-Bisect    0.07337
                                                   -0.01913 -0.00657 -0.18447
                                                   -0.05100
                                                    0.00000  0.04892
                                                    0.02991  0.00000  0.00208

 Dipole Polarizability Parameters :

          Atom Number     Alpha     Damp      Polarization Group

     1        1          1.0730    0.390        1     2     3     4
     2        2          0.4960    0.390        1     2     3     4
     3        3          0.4960    0.390        1     2     3     4
     4        4          0.4960    0.390        1     2     3     4
     5        5          1.0730    0.390        5     6     7     8
     6        6          0.4960    0.390        5     6     7     8
     7        7          0.4960    0.390        5     6     7     8
     8        8          0.4960    0.390        5     6     7     8

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  e

 Intermolecular Energy :                  -1.3726 Kcal/mole

 Total Potential Energy :                 -1.3648 Kcal/mole

 Energy Component Breakdown :           Kcal/mole        Interactions

 Bond Stretching                           0.0022                6
 Angle Bending                             0.0056                6
 Van der Waals                             1.1538               16
 Atomic Multipoles                        -1.8043               16
 Polarization                             -0.7222               16

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  a

 List Atoms for which Output is Desired [ALL] :
    >  ALL

 Intermolecular Energy :                  -1.3726 Kcal/mole

 Total Potential Energy :                 -1.3648 Kcal/mole

 Potential Energy Breakdown over Atoms :

  Atom        EB          EA          EBA         EUB         EAA         EOPB
              EOPD        EID         EIT         ET          EPT         EBT
              EAT         ETT         EV          EC          ECD         ED
              EM          EP          ER          ES          ELF         EG
              EX

     1      0.0000      0.0004      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.6563      0.0000      0.0000      0.0000
           -0.8564     -0.4099      0.0000      0.0000      0.0000      0.0000
            0.0000

     2      0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000     -0.0244      0.0000      0.0000      0.0000
            0.0337      0.0165      0.0000      0.0000      0.0000      0.0000
            0.0000

     3      0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000     -0.0244      0.0000      0.0000      0.0000
            0.0337      0.0165      0.0000      0.0000      0.0000      0.0000
            0.0000

     4      0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000     -0.0307      0.0000      0.0000      0.0000
           -0.1132      0.0157      0.0000      0.0000      0.0000      0.0000
            0.0000

     5      0.0011      0.0052      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000     -0.0328      0.0000      0.0000      0.0000
            1.0202     -0.0094      0.0000      0.0000      0.0000      0.0000
            0.0000

     6      0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000     -0.0190      0.0000      0.0000      0.0000
           -0.1575     -0.0182      0.0000      0.0000      0.0000      0.0000
            0.0000

     7      0.0011      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.6476      0.0000      0.0000      0.0000
           -1.6073     -0.3152      0.0000      0.0000      0.0000      0.0000
            0.0000

     8      0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000      0.0000      0.0000      0.0000      0.0000
            0.0000      0.0000     -0.0190      0.0000      0.0000      0.0000
           -0.1575     -0.0182      0.0000      0.0000      0.0000      0.0000
            0.0000

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  l

 Intermolecular Energy :                  -1.3726 Kcal/mole

 Total Potential Energy :                 -1.3648 Kcal/mole

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  d

 Individual Bond Stretching Interactions :

 Type              Atom Names                      Ideal    Actual      Energy

 Bond            1-N        2-H                   1.0120    1.0121      0.0000
 Bond            1-N        3-H                   1.0120    1.0121      0.0000
 Bond            1-N        4-H                   1.0120    1.0122      0.0000
 Bond            5-N        6-H                   1.0120    1.0117      0.0000
 Bond            5-N        7-H                   1.0120    1.0140      0.0021
 Bond            5-N        8-H                   1.0120    1.0117      0.0000

 Individual Angle Bending Interactions :

 Type                  Atom Names                  Ideal    Actual      Energy

 Angle           2-H        1-N        3-H      106.8000  106.6425      0.0003
 Angle           2-H        1-N        4-H      106.8000  106.8382      0.0000
 Angle           3-H        1-N        4-H      106.8000  106.8383      0.0000
 Angle           6-H        5-N        7-H      106.8000  106.3586      0.0026
 Angle           6-H        5-N        8-H      106.8000  106.8349      0.0000
 Angle           7-H        5-N        8-H      106.8000  106.3587      0.0026

 Individual van der Waals Interactions :

 Type              Atom Names                    Minimum    Actual      Energy

 VDW-Hal         1-N        5-N                   3.7100    3.2697      0.0242
 VDW-Hal         1-N        6-H                   3.3603    3.6866     -0.0306
 VDW-Hal         1-N        7-H                   3.3603    2.3557      1.3496
 VDW-Hal         1-N        8-H                   3.3603    3.6866     -0.0306
 VDW-Hal         2-H        5-N                   3.3603    3.7946     -0.0270
 VDW-Hal         2-H        6-H                   2.7000    4.2856     -0.0018
 VDW-Hal         2-H        7-H                   2.7000    2.8955     -0.0172
 VDW-Hal         2-H        8-H                   2.7000    4.0226     -0.0028
 VDW-Hal         3-H        5-N                   3.3603    3.7947     -0.0270
 VDW-Hal         3-H        6-H                   2.7000    4.0227     -0.0028
 VDW-Hal         3-H        7-H                   2.7000    2.8956     -0.0172
 VDW-Hal         3-H        8-H                   2.7000    4.2855     -0.0018
 VDW-Hal         4-H        5-N                   3.3603    3.5231     -0.0358
 VDW-Hal         4-H        6-H                   2.7000    4.0269     -0.0027
 VDW-Hal         4-H        7-H                   2.7000    2.6873     -0.0200
 VDW-Hal         4-H        8-H                   2.7000    4.0270     -0.0027

 Individual Atomic Multipole Interactions :

 Type              Atom Names               Distance        Energy

 M-Pole          1-N        5-N               3.2697        5.5447
 M-Pole          1-N        6-H               3.7377       -1.2629
 M-Pole          1-N        7-H               2.2657       -4.7317
 M-Pole          1-N        8-H               3.7377       -1.2629
 M-Pole          2-H        5-N               3.8546       -1.0599
 M-Pole          2-H        6-H               4.4074        0.2708
 M-Pole          2-H        7-H               2.8715        0.4830
 M-Pole          2-H        8-H               4.0972        0.3735
 M-Pole          3-H        5-N               3.8547       -1.0598
 M-Pole          3-H        6-H               4.0973        0.3735
 M-Pole          3-H        7-H               2.8716        0.4829
 M-Pole          3-H        8-H               4.4074        0.2708
 M-Pole          4-H        5-N               3.5601       -1.3846
 M-Pole          4-H        6-H               4.1286        0.3036
 M-Pole          4-H        7-H               2.6567        0.5512
 M-Pole          4-H        8-H               4.1287        0.3035

 Determination of SCF Induced Dipole Moments :

    Iter       RMS Residual (Debyes)

       1           0.0073778351
       2           0.0006561895
       3           0.0000354640
       4           0.0000059357
       5           0.0000002656

 Induced Dipoles :    Iterations    5      RMS Residual   0.0000002656

 Induced Dipole Moments (Debyes) :

    Atom              X           Y           Z         Total

       1           0.1035     -0.0000      0.0263      0.1068
       2           0.0025      0.0081     -0.0005      0.0085
       3           0.0025     -0.0081     -0.0005      0.0085
       4          -0.0077     -0.0000      0.0258      0.0270
       5           0.0883      0.0000     -0.0280      0.0926
       6           0.0358      0.0347      0.0185      0.0531
       7           0.2051      0.0000     -0.0105      0.2053
       8           0.0358     -0.0347      0.0185      0.0531

 Individual Dipole Polarization Interactions :

 Type              Atom Names               Distance        Energy

 Polar           1-N        5-N               3.2697       -0.0445
 Polar           1-N        6-H               3.7377       -0.0468
 Polar           1-N        7-H               2.2657       -0.6816
 Polar           1-N        8-H               3.7377       -0.0468
 Polar           2-H        5-N               3.8546        0.0104
 Polar           2-H        6-H               4.4074        0.0033
 Polar           2-H        7-H               2.8715        0.0169
 Polar           2-H        8-H               4.0972        0.0025
 Polar           3-H        5-N               3.8547        0.0104
 Polar           3-H        6-H               4.0973        0.0025
 Polar           3-H        7-H               2.8716        0.0169
 Polar           3-H        8-H               4.4074        0.0033
 Polar           4-H        5-N               3.5601        0.0048
 Polar           4-H        6-H               4.1286        0.0046
 Polar           4-H        7-H               2.6567        0.0174
 Polar           4-H        8-H               4.1287        0.0046

 Intermolecular Energy :                  -1.3726 Kcal/mole

 Total Potential Energy :                 -1.3648 Kcal/mole

 Energy Component Breakdown :           Kcal/mole        Interactions

 Bond Stretching                           0.0022                6
 Angle Bending                             0.0056                6
 Van der Waals                             1.1538               16
 Atomic Multipoles                        -1.8043               16
 Polarization                             -0.7222               16

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  m

 Total Electric Charge :                  0.00000 Electrons

 Dipole Moment Magnitude :                  2.192 Debyes

 Dipole X,Y,Z-Components :                  1.863       -0.000       -1.156

 Quadrupole Moment Tensor :                 2.279        0.000        4.582
      (Buckinghams)                         0.000        0.771       -0.000
                                            4.582       -0.000       -3.050

 Principal Axes Quadrupole :               -5.686        0.771        4.915

 Radius of Gyration :                       1.929 Angstroms

 Center of Mass Coordinates :            0.000000     0.000000     0.000000
 Euler Angles (Phi/Theta/Psi) :             0.000        0.000        0.000

 Moments of Inertia and Principal Axes :

             Moments (amu Ang^2)            X-, Y- and Z-Components of Axes

                      4.370              1.000000     0.000000     0.000000
                     97.102             -0.000000     1.000000    -0.000000
                     98.050             -0.000000     0.000000     1.000000

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  v

 Internal Virial Tensor :                  -5.797       0.000      -0.289
                                            0.000      -0.122      -0.000
                                           -0.289      -0.000       0.207

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../analyze.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 Enter Cartesian Coordinate File Name :  a.xyz

 Additional Atomic Multipoles for Specific Atoms :

      Atom         Coordinate Frame Definition        Multipole Moments

         1          2      3      4   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                  0.00000  0.00000  0.29395
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01503  0.00000 -0.16505
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         1          2      3      4   3-Fold     -0.22011
                                                  0.00075  0.00130  0.25195
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         2          1      3      4   Z-Bisect    0.07337
                                                 -0.01475 -0.00127 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         3          1      2      4   Z-Bisect    0.07337
                                                 -0.01475  0.00126 -0.16197
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         4          1      2      3   Z-Bisect    0.07337
                                                 -0.01033  0.00000 -0.15554
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         5          6      7      8   3-Fold     -0.22011
                                                 -0.03087  0.00000  0.27461
                                                  0.35844
                                                  0.00000  0.35844
                                                  0.00000  0.00000 -0.71688

         6          5      7      8   Z-Bisect    0.07337
                                                 -0.01913  0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         7          5      6      8   Z-Bisect    0.07337
                                                 -0.00773  0.00000 -0.08459
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

         8          5      6      7   Z-Bisect    0.07337
                                                 -0.01913 -0.00657 -0.18447
                                                 -0.05100
                                                  0.00000  0.04892
                                                  0.02991  0.00000  0.00208

 The Tinker Energy Analysis Utility Can :

 General System and Force Field Information [G]
 Force Field Parameters for Interactions [P]
 Total Potential Energy and its Components [E]
 Energy Breakdown over Each of the Atoms [A]
 List of the Large Individual Interactions [L]
 Details for All Individual Interactions [D]
 Electrostatic Moments and Principle Axes [M]
 Internal Virial, dE/dV Values & Pressure [V]
 Connectivity Lists for Each of the Atoms [C]

 Enter the Desired Analysis Types [G,P,E,A,L,D,M,V,C] :  c

 List Atoms for which Output is Desired [ALL] :
    >  ALL

 Total Number of Pairwise Atomic Interactions :

 Number of 1-2 Pairs                     6
 Number of 1-3 Pairs                     6

 List of 1-2 Connected Atomic Interactions :

       1       2
       1       3
       1       4
       5       6
       5       7
       5       8

 List of 1-3 Connected Atomic Interactions :

       2       3
       2       4
       3       4
       6       7
       6       8
       7       8