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Describe the bug
When parsing frequencies from Molpro's output, if the output has imaginary frequencies (as in the example output), then the function returns them as non-negative.
example:
Describe the bug
When parsing frequencies from Molpro's output, if the output has imaginary frequencies (as in the example output), then the function returns them as non-negative.
example:
How to reproduce
download the output example, and run:
In the Downloads directory. The output should be:
While a correct output is:
Additional context
Output example
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