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Q Chem 5.1 User's Manual. User Manual: Open the PDF directly: View PDF PDF . Page Count: 1091 [warning: Documents this large are best viewed by clicking theQ-Chem 5.1 User's Manual · 3.1 IQmol · 3.2 General Form · 3.3 Molecular Coordinate Input ($molecule) · 3.4 Job Specification: The $rem Input Section · 3.5 Additional Q-Chem 5.1 User's Manual Using the Q-CHEM command line shell script (qchem) is straightforward provided qchem -save -nt nthreads infile outfile save. Q-Chem 5.1 User's Manual Version 5.1 May, 2018 Q-C HEM User's Manual Version An encrypted license file, qchem.license.dat, must be obtained from your Contents · 5.1 Introduction · 5.2 Kohn-Sham Density Functional Theory · 5.3 Overview of Available Functionals · 5.3. · 5.4 Basic DFT Job Control · 5.5 DFT Numerical