Gaussian 16 Free Download

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Posted on 2020-05-22, by predium.

Gaussian 16 C.01 AVX x64 | 4.43 GB
Gaussian - a popular program for calculations related to the electronic structure of matter.
Extras. Info: Instead of this program is better to use ORCA: orcaforum.kofo.mpg.de
Thanks: Thank you for giving minj12 files / 感谢 minj12 提供 文件 / Thanks to minj12 for providing files
Year / Date of Release: 2019
Version: ES64L-G16RevC.01
Developer: Gaussian, Inc.
Developer website: gaussian.com
Bit depth: 64bit
Language: English
License: Freeware
System requirements: GNU / Linux x86_64
AVX-compatible CPU like Intel Sandybridge and AMD Bulldozer or later
NVIDIA GPU of Kepler, Pascal or Volta generation - optionally
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Gaussian '16 is now available on Odyssey. To use it, add the following lines to ~/.bashrc:

source new-modules.sh
. /n/sw/g16_nehalem/setup.bash

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Two builds of Gaussian are available: nehalem (older processors) and broadwell (newer processors). The setup script above should auto-detect which version you need.

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NBO 6 has been installed as well. To use it, use the pop=nbo6read keyword in your Gaussian input file. Here is an example for water:

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Gaussian 16 free download. software

%mem=500MB
#p hf/3-21g pop=nbo6read
title
0 1
O 0.000 0.000 0.0
H 0.757 0.586 0.0
H -0.757 0.586 0.0
$NBO $END

Gaussian 16 software, free download

GaussView for PC and Mac can be obtained from the RC software download page. GMMX, a new addon that allows you to perform molecular mechanics calculations in GaussView, is also available.

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If you wish to use Gaussian '09 for some reason, use

module load gaussian/09_D.01-fasrc01

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Both Gaussian '09 Rev D and Gaussian '16 include dispersion-corrected density functionals. For more information, see this page and click on 'more' and 'EmpiricalDispersion.'