[Bug]: Error parsing GaussianOutput from frequency job with g09

[martin-weichselbaumer97]

Email (Optional)

No response

What happened?

Error when parsing the Hessian from a frequency job. Finding number of coordinates / atoms by using wrong structure list (input_structures instead of std_structures). Error can be circumvented by a simple check:

if len(input_structures):
    ndf = 3 * len(input_structures[0])
else:
    ndf = 3 * len(std_structures[0])

Version

v2023.9.2

What OS(es) are you seeing the problem on?

No response

Relevant log output

File ~\micromambaenv\envs\protein_ir_spectroscopy\lib\site-packages\pymatgen\io\gaussian.py:696, in GaussianOutput.__init__(self, filename)
    691 """
    692 Args:
    693     filename: Filename of Gaussian output file.
    694 """
    695 self.filename = filename
--> 696 self._parse(filename)

File ~\micromambaenv\envs\protein_ir_spectroscopy\lib\site-packages\pymatgen\io\gaussian.py:993, in GaussianOutput._parse(self, filename)
    988 elif parse_hessian:
    989     # read Hessian matrix under "Force constants in Cartesian coordinates"
    990     # Hessian matrix is in the input  orientation framework
    991     # WARNING : need #P in the route line
    992     parse_hessian = False
--> 993     ndf = 3 * len(input_structures[0])
    994     self.hessian = np.zeros((ndf, ndf))
    995     j_indices = range(5)

IndexError: list index out of range

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