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*Details: File format summary

    
 

 

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Details for: Gaussian Input Data File

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Go to:  Summary  |  Documentation  |  Signatures |  Compression  |  Character encoding  |  Rights  |  Reference files   Properties  
 

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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