Job Name
Calculation
Theory
Excited State Method
Charge
Multiplicity
Unrestricted
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Symmetry Number
Solvent
AIMD num steps
AIMD step size (fs)
AIMD ensemble
AIMD initial velocities
AIMD vib mode # / energy (kcal/mol) / direction
Excited State
CIS states
Second Geometry (job number)
Precise Optimization
Cartesian Coordinates
External Parameters
Additional Keywords

   
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