Gaussian log

Gaussian log


Overview

This file is output file of jobs made by Gaussian.. Supported Gaussian's version is 92,94,98,98w.

File Extension

The data file extension is ".log".

Note:Gaussian98w writes its output to "*.out". Micro AVS can read ".log" only. Please file's extension changes to ".log".


Outline


Make from "Standard Orientation" to molecular structure. If there are some "Standard Orientation" part, reads last part. Multibond is drawn by one stick, too. Your data may can't create model.

Example for "Standard Orientation"
Micro AVS uses "Center Number"A"AtomicNumber"A"Coordinates". "Center Number" is number of Atoms, "Atomic Number" is Atomic number, "Coordinates"is coordinates.

                   Standard orientation:
 ----------------------------------------------------------
 Center     Atomic              Coordinates (Angstroms)
 Number     Number             X           Y           Z
 ----------------------------------------------------------
    1          6          -1.951670    0.122172   -0.003940
    2          6          -0.559832   -0.523425    0.004319
    3          6           0.561371    0.527456    0.004461
    4          6           1.950128   -0.124977   -0.003687
    5          1          -2.093244    0.761263   -0.905583
    6          1          -2.103807    0.758630    0.897969
    7          1          -2.751721   -0.654139   -0.010109
    8          1          -0.454249   -1.180960   -0.891451
    9          1          -0.461543   -1.172960    0.906978
   10          1           0.463873    1.178129    0.906262
   11          1           0.458277    1.184514   -0.891823
   12          1           2.088022   -0.764713   -0.905938
   13          1           2.100180   -0.764253    0.896824
   14          1           2.754232    0.647134   -0.010046
 ----------------------------------------------------------

Occasionally followed case. Micro AVS can display this data. "Atomic Type" is ignoreing.
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic     Atomic              Coordinates (Angstroms)
 Number     Number      Type              X           Y           Z
 ---------------------------------------------------------------------
    1          8             0        0.050283    0.692222    0.000000
    2          1             0       -0.854814    1.012222    0.000000
    3          9             0        0.050283   -0.727778    0.000000
 ---------------------------------------------------------------------


MicroAVS Library
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