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CASSCF calculated spin density for 1 (left: saddle point, A″ right: minimum, A′); green: positive spin density, red: negative spin density. Hydrogen atoms omitted for clarity. The nitrido tilt (within the Cs plane) connects the two states by bending toward (A′), or away (A″) the carbene on the left of the figure. The axis superimposed on the upper figures show the principle axes of the 14N hyperfine tensor.
