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{\bf {\Large The \PSIthree\ User's Manual}} \\
\vspace{0.5in}
C.~David Sherrill,$^a$ T.~Daniel Crawford,$^b$ Edward F.~Valeev,$^b$ \\
Micah L. Abrams,$^b$ Rollin A.~King,$^c$ and Ashley Ringer$^a$ \\
\ \\
{\em $^a$Center for Computational Molecular Science and Technology,
\mbox{Georgia Institute of Technology,} Atlanta, Georgia 30332-0400} \\
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{\em $^b$Department of Chemistry, Virginia Tech, Blacksburg, Virginia
24061-0001} \\
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{\em $^c$Department of Chemistry, Bethel College, St.\ Paul, Minnesota
55112-6999}
\ \\
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\PSIthree\ Version: \PSIversion \\
Created on: \today \\
Report bugs to: \PSIemail \\
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\appendix
\section{\PSIthree\ Reference}\label{PSI_Reference}
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