Gaussian: linear molecule with stars for rotational constant#223
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Gaussian: linear molecule with stars for rotational constant#223
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From cclib/cclib#1270 For a linear molecule, the principal moment of inertia corresponding to the axis containing all atoms should be zero, leading to a rotational constant that is TODO. Co-authored-by: Juanvi Alegre-Requena <juanvi89@hotmail.com>
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From cclib/cclib#1270
For a linear molecule, the principal moment of inertia corresponding to the axis containing all atoms should be zero, leading to a rotational constant that is TODO.