Calculations were done on H 2 inside of C 60, mostly at the level of Hartree−Fock with a basis set 6-31G(d,p). They show a negligible distortion of the fullerene cage. To a high degree of accuracy, one can treat the cage as being spherically symmetric. There is a small torque on the H 2 when it is off center, because of its anisotropy.
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R. J. Cross (2001) studied this question.
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