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GAUSSIAN Message Board

run Gaussian G09W in gaussview 3.09

by G. Devi Mon Sep 02 15:10:34 UTC 2013

Input File for Dimer

by Safiya Amer Fri Mar 14 19:12:15 UTC 2014

Extracting the coulomb and exchange energies

by guest Thu May 01 21:39:16 UTC 2014

Two different structure usingGAUSSIAN at two different methods( HF and B3LYP)

by guest Tue May 13 08:54:12 UTC 2014

Read isotope

by Sudip Mon Aug 25 16:31:00 UTC 2014

Parallel Performance

by Leo Tue Sep 02 10:56:26 UTC 2014

How can we retrieve CISD coefficients in Gaussian software?

by mga Fri Sep 26 12:28:28 UTC 2014

Wilson B matrix

by guest Fri Oct 31 06:27:36 UTC 2014

how to consider temperature effect in structure optimization

by Arif Ahmed Thu Dec 04 02:07:10 UTC 2014

How to change temperature in gaussian09 input file(com)?

by redtiger620 Thu Dec 04 02:25:42 UTC 2014

how to move a set of atoms without affecting other atoms in the same gauss view window

by arun Tue Jan 13 06:46:27 UTC 2015

Optimization of cobalt complex

by tamer Thu Mar 26 21:29:38 UTC 2015

Restart terminated Frequency Calc: Walltime 90hr

by new guy Fri Jul 17 23:51:27 UTC 2015

negative sign in freq calculations

by guest Thu Nov 12 20:48:23 UTC 2015

Number of steps exceeded error

by guest Fri Jan 08 15:02:56 UTC 2016

Two electron integrals

by Lena Mon Feb 08 04:43:14 UTC 2016

PCM calculations of surface and volume

by Martin Thu Mar 03 16:19:26 UTC 2016

Changing numbers of atoms

by guest Sat Jun 04 07:32:27 UTC 2016

Changing numbers of atoms

by guest Sat Jun 04 07:32:27 UTC 2016

Gaussian

by guest Sun Jun 05 11:38:41 UTC 2016

Tuning the attenuation parameter in LC functionals

by guest Wed Jul 13 08:40:51 UTC 2016

Why does gaussian forget the set parameters in the middle of the simulation ?

by barryschizzel Thu Jul 14 16:29:11 UTC 2016

Partial Optimizatio

by Sandile Mamba Mon Aug 15 02:44:55 UTC 2016

TD-DFT Excited State Optimization, Orbital Population

by AMC Mon Sep 12 21:59:53 UTC 2016

Fixing bond causing coordinate error

by Kyle Tue Feb 14 20:06:49 UTC 2017

cartesian optimization with frozen atoms

by erica Fri Feb 24 00:51:15 UTC 2017

How can I optimize a lead(Pb) complex with help of gaussian?

by Krunal Wed Mar 22 03:45:44 UTC 2017

GAUSSIAN

by guest Mon May 01 07:15:19 UTC 2017

Partial Optimization of Crystal Structure Coordinates

by Greg Wed May 03 14:51:11 UTC 2017

Convergence Problems

by Electron17 Mon May 08 21:14:09 UTC 2017

l123 error message in IRC calculation in gaussian

by guest Thu May 18 05:49:04 UTC 2017

Orbitals Colors

by Gamessino Sun May 21 19:20:27 UTC 2017

Interaction LJ potential parameters between argon argon

by zeeshan.ahmed@iitgn.ac.in Sat Jul 08 08:53:11 UTC 2017

ideal gas state contribution

by Akbar Thu Oct 12 18:54:16 UTC 2017

How open xyz-file with GaussView 5

by AMB Tue Nov 07 16:12:21 UTC 2017

☘

by ☘ Sun Dec 31 14:39:34 UTC 2017

gaussian installation

by guest Wed Apr 04 06:46:26 UTC 2018

Charge density plot of Molecular orbitals (MOs)

by guest Thu Oct 04 07:24:59 UTC 2018

electronic and ionic contribution in total dipole

by sabike Tue Dec 04 07:42:59 UTC 2018

Large MO coefficient warning

by George Thu Feb 21 22:39:21 UTC 2019

question

by yibain Thu Jun 13 09:18:20 UTC 2019

question

by yibain Thu Jun 13 09:18:25 UTC 2019

Can we give a maximum number for geometry optimization steps in Gaussian 09

by Quinny Wed Sep 11 11:02:50 UTC 2019

How can I calculate energy barrier between transition states using Gaussian 09?

by Alison Wed Dec 11 18:30:23 UTC 2019

ESP on conformers

by Marion Boucherand Wed Oct 07 22:22:09 UTC 2020

Gaussian error

by guest Thu Oct 22 07:06:22 UTC 2020

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