File:CH4 freq.log
CH4_freq.log (file size: 61 KB, MIME type: text/plain)
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Summary
Log of a Gaussian frequency calculation at HF/STO-3g level of theory for methane.
File history
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| Date/Time | Dimensions | User | Comment | |
|---|---|---|---|---|
| current | 18:24, 10 September 2025 | (61 KB) | Jbettenc (talk | contribs) | Repeat the computation for optimised geometry with this basis set. |
| 17:55, 10 September 2025 | (55 KB) | Jbettenc (talk | contribs) | Change to a smaller STO-3g basis set which has better symmetrised normal modes | |
| 14:50, 10 September 2025 | (35 KB) | Jbettenc (talk | contribs) | Log of a Gaussian frequency calculation at HF/3-21g level of theory for methane. |
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