Gaussian 09 Rev D 01 Em64t 43 REPACK

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Gaussian 09 Rev D 01 Em64t 43: A Powerful Computational Chemistry Software for EM64T Systems

Gaussian 09 is a popular software package for performing electronic structure calculations and molecular modeling. It can handle a wide range of chemical systems, from small molecules to macromolecules, with various levels of theory and methods. Gaussian 09 can also perform various types of spectroscopic and thermodynamic analyses, as well as reaction path and potential energy surface studies.

Gaussian 09 Rev D 01 is the latest revision of Gaussian 09, released on April 29, 2013. It includes several new features, bug fixes, and performance improvements. Some of the notable additions are:

A new keyword Opt=IRCMax to optimize the maximum point along an intrinsic reaction coordinate (IRC).

A new keyword Opt=IRCRecalcFC to recalculate the force constants along an IRC.

A new keyword Opt=IRCStepSize to specify the step size along an IRC.

A new keyword Opt=IRCPoint to specify the starting point for an IRC calculation.

A new keyword Opt=IRCDir to specify the direction of an IRC calculation.

A new keyword Opt=IRCTight to use tighter convergence criteria for an IRC calculation.

A new keyword Opt=IRCReverse to reverse the direction of an IRC calculation.

A new keyword Opt=IRCSave to save the IRC points in a separate file.

A new keyword Opt=IRCConnect to connect two IRC calculations.

A new option Density=MP2 to compute the MP2 density matrix.

A new option Density=CISD to compute the CISD density matrix.

A new option Density=CCSD to compute the CCSD density matrix.

A new option Density=CCSD(T) to compute the CCSD(T) density matrix.

A new option Density=EOMCCSD to compute the EOM-CCSD density matrix.

A new option Density=EOMCCSD(T) to compute the EOM-CCSD(T) density matrix.

A new option Density=Mk-MRPT2 to compute the Mk-MRPT2 density matrix.

A new option Density=Mk-MRCCSD(T) to compute the Mk-MRCCSD(T) density matrix.

A new option Density=Mk-MRCCSD-F12(T) to compute the Mk-MRCCSD-F12(T) density matrix.

A new option Density=Mk-MRCCSD-F12*(T) to compute the Mk-MRCCSD-F12*(T) density matrix.

A new option Density=Mk-MRCCSD-F12**/F12*(T) to compute the Mk-MRCCSD-F12**/F12*(T) density matrix.

A new option Density=Mk-MRACPF2 to compute the Mk-MRACPF2 density matrix.

A new option Density=Mk-MRAQCC to compute the Mk-MRAQCC density matrix.

A new option Density=Mk-MRAQCC-F12(T) to compute the Mk-MRAQCC-F12(T) density matrix.

A new option Density=Mk-MRAQCC-F12*(T) to compute the Mk-MRAQCC-F12*(T) density matrix.

A new option Density=Mk-MRAQCC-F12**/F12*(T) to compute the Mk-MRAQCC-F12**/F12*( aa16f39245