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Frequency calculations depend on molecule orientation #362

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t-young31 opened this issue Nov 5, 2024 · 0 comments
Open

Frequency calculations depend on molecule orientation #362

t-young31 opened this issue Nov 5, 2024 · 0 comments
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bug Something isn't working
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v1.4.5

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Frequency calculation is unstable if the principal axis lies along a cartesian axis. See #359 (comment)
@t-young31 t-young31 added the bug Something isn't working label Nov 5, 2024
@t-young31 t-young31 added this to the v1.4.5 milestone Nov 5, 2024
@t-young31 t-young31 mentioned this issue Nov 5, 2024
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@t-young31 t-young31 mentioned this issue Nov 29, 2024
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@t-young31 t-young31 self-assigned this Nov 29, 2024
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