Signatures
|
| External signatures |
File extension: gjf
|
| Internal signatures |
| Name |
Gaussian Input Data File |
| Description |
#*(AM1|PM3|STO-3G|3-21G|3-21g|6-31G|6-31g|augcc-pvtz){0-128}.{0-128}.(-1|2|0)( |,)[0:9]{0-128}[0:9].[0:9]{0-24}[0:9].[0:9]{0-24}[0:9].[0:9]
This signature has been developed with reference to the basic structure of Gaussian input files as described: http://www.gaussian.com/g_tech/g_ur/m_input.htm and http://chemistry.umeche.maine.edu/Modeling/GGGauss.html.
The 'Route Section' describes the 'Basis Set' used, as listed here: http://www.gaussian.com/g_tech/g_ur/m_basis_sets.htm. The current signature includes the basis sets AM1,PM3,STO-3G,3-21G,3-21g,6-31G,6-31g and augcc-pvtz. It is likely that additional basis sets have been used in this format, if this has been perceived then please feed this back to PRONOM so the signature can be improved. |
| Byte sequences |
| Position type |
Absolute from BOF |
| Offset |
1 |
| Maximum Offset |
128 |
| Byte order |
|
| Value |
(414D31|504D33|53544F2D3347|332D323147|332D323167|362D333147|362D333167|6175672D63632D7076747A){0-128}0A(2D31|30|31)(20|2C)[31:39]{1-128}[30:39]2E[30:39]{0-24}[30:39]2E[30:39]{0-24}[30:39]2E[30:39] |
| Position type |
Absolute from BOF |
| Offset |
0 |
| Maximum Offset |
128 |
| Byte order |
|
| Value |
23 |
|
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Details: File format summary
: detailed report on file format 
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