Ab initio MO study on direct production of H 2 O, N 2 O and CO 3 from the respective CH 2 OO "Bee-sting-like" attack at H 2 , N 2 and CO 2 .

All calculations were performed using Gaussian 16 software. Geometry, frequency, and IRC analysis calculations were conducted at the M06-2X/aug-cc-pVTZ level of theory. The heats of reaction have been evaluated at the highest level, CCSD(T)/CBS(T,Q,5)//M06-2x/aug-cc-pvTz.