2 INPUT
2.1 IntroductionRunning the program
Structure of the input
Keywords
Minimal input
2.2 Main Options
Parallel Execution
Run Types
Atomic Coordinates
Geometry Optimization
Transition State
Linear Transit
Intrinsic Reaction Coordinate
Optimization: Special Features
Frequencies
Smoothing of Gradients
Fragments
QM/MM
Density Functional
Relativistic effects
Solvent effects: COSMO
Electric Field: Homogeneous and Point Charges
Time-dependent DFT: Excitation Energies, (Hyper) Polarizabilities
ESR
Electronic Configuration
Multiplet States
Precision and Self-Consistency
Interpretation of Input
Restarts
Printed Output
ASCII Output Files with Atomic Coordinates
2.3 More Options
General
Geometry
Hamiltonian
Properties and Analysis
Precision
Control of Program Flow
Technical Settings
