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(a) Optimized geometry of the lowest lying triplet state starting from the snapshots of region A of the LVC/SH dynamics. (b) Natural transition orbitals characterizing the T1 state at this geometry, labeled T1SSshort state. (c) Wave function analysis of the T1SSshort state showing its predominant 3MLCT character, so that this state will be also referred to as the 3MLCT state.
