Sections under "Input sections"

• Overview: Provides an overview of the input file structure and sections
• QM: Specification of the Hamiltonian, wavefunction, and type of calculation
• Molecule: Specification of molecular information such as atoms, charge, and multiplicity
• Basis: Specification of the basis used for the calculation
• Ints: Options to control integral computation
• DFTInts: Options to control DFT grid evaluation
• SCF: Options to control SCF procedure
• RT: Options to control real time electron dynamics procedure
• Response: Options to control response theory procedures
• Misc: Options to specify computational model (parallelism, memory)
• CC: Options to control Coupled-cluster calculations
• MCSCF: Options to control Multi-Configurational Self-Consistent Field calculations