%0 Journal Article
%A Crespo-Otero, Rachel
%A Suardíaz Delrío, Reynier
%A Montero, Luis Alberto
%A García de la Vega, José 
%T Potential energy surfaces and Jahn-Teller effect on CH4⋯NO complexes
%D 2007
%@ 0021-9606
%U https://hdl.handle.net/20.500.14352/92256
%X The potential energy surface of the CH4¯NO van der Waals complexes was explored at the RCCSD T/aug-cc-pVTZ level including the full counterpoise correction to the basis set superposition error. The Jahn-Teller distortion of the C3v configurations for the CH bonded and CH3 face complexes was analyzed. From this distortion, two A  and A adiabatic surfaces were considered. The estimated zero point energy of Cs configurations is above the barrier of the C3v ones. Therefore, the CH3 face complexes are dynamic Jahn-Teller systems. The D0  140 cm−1 for A state and 100 cm−1 for A  values obtained are in good agreement with the experimental values
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