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3 bonds in 1 and 2 are fixed to be 1.44, 1.35, 1.09, 1.39, and 1.45 Å, respectively. Also, the ∠NCC, ∠CNC, ∠NCN, ∠HCN, ∠HCH, and ∠CCC bond angles are fixed to be 106°, 106°, 110°, 120°, 109°, and 120°, respectively.
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