Help in Z matrix
Clicked A Few Times
11:33:35 AM PST - Tue, Nov 12th 2013
I got the following bonds angles and dihed from the log file

internuclear distances

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

      center one      |      center two      | atomic units |  angstroms

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

   2 F                |   1 C                |     2.60005  |     1.37589

   3 F                |   1 C                |     2.60185  |     1.37684

   4 F                |   1 C                |     2.60185  |     1.37684

   5 C                |   1 C                |     2.91438  |     1.54222

   6 F                |   5 C                |     2.63257  |     1.39310

   7 F                |   5 C                |     2.63257  |     1.39310

   8 C                |   5 C                |     2.91109  |     1.54048

   9 F                |   8 C                |     2.63257  |     1.39310

  10 F                |   8 C                |     2.63257  |     1.39310

  11 C                |   8 C                |     2.91438  |     1.54222

  12 F                |  11 C                |     2.60185  |     1.37684

  13 F                |  11 C                |     2.60005  |     1.37589

  14 F                |  11 C                |     2.60185  |     1.37684

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

                        number of included internuclear distances:         13

==============================================================================




==============================================================================
                                internuclear angles

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

       center 1       |       center 2       |       center 3       |  degrees

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

   2 F                |   1 C                |   3 F                |   108.68

   2 F                |   1 C                |   4 F                |   108.68

   2 F                |   1 C                |   5 C                |   109.12

   3 F                |   1 C                |   4 F                |   108.89

   3 F                |   1 C                |   5 C                |   110.71

   4 F                |   1 C                |   5 C                |   110.71

   1 C                |   5 C                |   6 F                |   107.42

   1 C                |   5 C                |   7 F                |   107.42

   1 C                |   5 C                |   8 C                |   116.31

   6 F                |   5 C                |   7 F                |   108.76

   6 F                |   5 C                |   8 C                |   108.37

   7 F                |   5 C                |   8 C                |   108.37

   5 C                |   8 C                |   9 F                |   108.37

   5 C                |   8 C                |  10 F                |   108.37

   5 C                |   8 C                |  11 C                |   116.31

   9 F                |   8 C                |  10 F                |   108.76

   9 F                |   8 C                |  11 C                |   107.42

  10 F                |   8 C                |  11 C                |   107.42

   8 C                |  11 C                |  12 F                |   110.71

   8 C                |  11 C                |  13 F                |   109.12

   8 C                |  11 C                |  14 F                |   110.71

  12 F                |  11 C                |  13 F                |   108.68

  12 F                |  11 C                |  14 F                |   108.89

  13 F                |  11 C                |  14 F                |   108.68

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

                           number of included internuclear angles:         24

==============================================================================
and

27 dihed
 38 Torsion                  1     5     8     9          58.93137    0.00000

  39 Torsion                  1     5     8    10         -58.93137    0.00000

  40 Torsion                  1     5     8    11         180.00000    0.00000

  41 Torsion                  2     1     5     6         -58.42449    0.00000

  42 Torsion                  2     1     5     7          58.42449    0.00000

  43 Torsion                  2     1     5     8         180.00000    0.00000

  44 Torsion                  3     1     5     6        -177.99602    0.00001

  45 Torsion                  3     1     5     7         -61.14704    0.00000

  46 Torsion                  3     1     5     8          60.42847    0.00000

  47 Torsion                  4     1     5     6          61.14704    0.00000

  48 Torsion                  4     1     5     7         177.99602   -0.00001

  49 Torsion                  4     1     5     8         -60.42847    0.00000

  50 Torsion                  5     8    11    12          60.42847    0.00000

  51 Torsion                  5     8    11    13         180.00000    0.00000

  52 Torsion                  5     8    11    14         -60.42847    0.00000

  53 Torsion                  6     5     8     9         -62.13725    0.00000

  54 Torsion                  6     5     8    10         180.00000    0.00000

  55 Torsion                  6     5     8    11          58.93137    0.00000

  56 Torsion                  7     5     8     9         180.00000    0.00000

  57 Torsion                  7     5     8    10          62.13725    0.00000

  58 Torsion                  7     5     8    11         -58.93137    0.00000

  59 Torsion                  9     8    11    12        -177.99602    0.00001

  60 Torsion                  9     8    11    13         -58.42449    0.00000

  61 Torsion                  9     8    11    14          61.14704    0.00000

  62 Torsion                 10     8    11    12         -61.14704    0.00000

  63 Torsion                 10     8    11    13          58.42449    0.00000

  64 Torsion                 10     8    11    14         177.99602   -0.00001

Clicked A Few Times
11:47:04 AM PST - Tue, Nov 12th 2013
I need now to build z matrix having the aforementioned data
I built a weird z matrix

   1 C

   2 F                  1                

   3 F                  1            2

   4 F                  1            2

   5 C                 1            3

   6 F                  5            1         4

   7 F                  5            1         4

   8 C                  5           1         3

   9 F                   8           5         7

  10 F                  8           5         6

 11 C                  8           5         1

  12 F                11           8         5

 13 F                 11          8         10                

  14 F                11          8         19

Clicked A Few Times
11:48:07 AM PST - Tue, Nov 12th 2013
the problem for atom 4
I could not find dihed for it
and also for atom 5

Clicked A Few Times
3:35:13 AM PST - Fri, Nov 15th 2013
building a zmatrix
Hello,

you can use GABEDIT to build a zmatrix from the output file.out or fille.xyz
1) click on the icon "draw geometry" ---> right click on READ - file.xyz 
                                                                                              -NWCHEM output :file.out
2) click on "EDIT"-->OPEN GZMATRIXEDITOR---> ALL-->TO ZMATRIX
3) click on icon NWCHEM: you will have an input in zmatrix-format

Alternatively, use dummy-atoms, like X, to make things more easy.
For example planar NH3:

geometry
 zmatrix units angstrom  

   X

   N  1  1.0

   H  2  r  1  w

   H  2  r  1  w  3  d

   H  2  r  1  w  4  d

   variables

   r   1.2

   w   90.0

   d   60

  end
end

Using dummy-atoms helps greatly to recognise dihedral angles and the zmatrix is much easier to set up!


Greetings
Alfred

Clicked A Few Times

finally someone reply.

9:53:31 AM PST - Fri, Nov 15th 2013

Just Got Here
4:30:42 AM PST - Tue, Dec 10th 2013
quetion???
Hi every body


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