Fig. 4
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Comparison with the conformers proposed by Krasnokutski (2021). On the left, at B3LYP/6-311+G(d,p) level of calculation, and on the right at the CCSD(T)-F12/cc-pCVTZ-F12 level. These conformers are the product of the C + NH3 + CO barrierless reaction. The SP connecting 2 and 3 NH2CHCO conformers is reported in the grey box. For the isomer 4, the values were obtained employing UKS (spin-Unrestricted Kohn-Sham program) B3LYP/6-311+G(d,p) and UCCSD(T)-F12/cc-pCVTZ level of theory, for left and right plots, respectively.
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