Cation

Theory: scf b3lyp mp2 m062x m06l hf
Basis set: 6-31g* 6-311g* 6-311pg* 6-311pg** 6-311ppg**
Method: single-point optimize Calculate

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Theory: scf b3lyp mp2 m062x m06l hf
Basis set: 6-31g* 6-311g* 6-311pg* 6-311pg** 6-311ppg**
Method: single-point optimize Calculate