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III.A.2.f.

Calculated Second moments

The second moment Paais defined as:
Paa = sum over i of mi ai squared
Where mi is the mass of the ith atom, and ai is the distance of that atom from the a-axis. The second moments are related to the moments of inertia by
Paa = (Ibb + Icc - Iaa)/2

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Rules for chemical formula

Species in the CCCBDB