1698 Gaussian Input Data File Text (Structured) Gaussian Input Data files are created by the Gaussian computer program for computational chemistry. 1 Digital Preservation Department / The National Archives 16 Jun 2016 16 Jun 2016 fmt/894 PUID gjf File extension 1241 Gaussian Input Data File #*(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. 1 Absolute from BOF 1 128 (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] 1 Absolute from BOF 0 128 23