# Calculations of the geometry and binding energy of the van der Waals complex of ethylene with oxygen C_{2}H_{4}–O_{2}

Quantum chemistry methods are used to analyze in detail the structure of the van der Waals complex of ethylene
with oxygen C_{2}H_{4}–O_{2}, and binding energies for stable configurations of the complex
are calculated. The calculations are carried out by the MP2 method using the 6-311++G(2*d*,2*p*)
and aug-cc-pV*n*Z (*n* = 2, 3, 4) basis sets. It is demonstrated that the most stable structure of the
van der Waals complex of ethylene with oxygen is a structure with *C*_{2v } symmetry,
where the oxygen and ethylene molecules are located parallel and lie in the same plane. The calculation of the
binding energy for this structure using the aug-cc-pV*n*Z (*n* = 2, 3, 4) basis sets with the extrapolation
of results to the infinite basis set limit (*n*→∞) gives a value of 206 cm^{–1}.