Q-Chem 5.1 User’s Manual
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3
Q-Chem
Inputs
3.1
IQmol
3.2 General Form
3.3 Molecular Coordinate Input (
$molecule
)
3.4 Job Specification: The
$rem
Input Section
3.5 Additional Input Sections
3.6 Multiple Jobs in a Single File:
Q-Chem
Batch Jobs
3.7
Q-Chem
Output File