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A Comparison of Gaussian 09 Revision D.01 and Other Electronic Structure Programs


Gaussian 09 D 01 Torrent: What You Need to Know




Gaussian 09 is a series of electronic structure programs that can predict the properties and behavior of molecules and reactions. It is widely used by chemists, physicists, and biochemists for various applications, such as drug design, catalysis, spectroscopy, and materials science. Gaussian 09 can perform calculations using different levels of theory, ranging from classical mechanics to quantum mechanics, and different methods, such as density functional theory (DFT), Hartree-Fock (HF), and coupled cluster (CC).




Gaussian 09 D 01 Torrent



Gaussian 09 Revision D.01 is the latest version of Gaussian 09, released in April 2013. It offers new features and capabilities that allow users to study larger molecular systems and additional areas of chemistry. It also provides improved performance and accuracy for many types of calculations. Some of the highlights of Gaussian 09 Revision D.01 are:



  • Support for NVIDIA K40 and K80 GPUs on Linux systems for HF and DFT calculations.



  • Improved parallel performance on larger number of processors and faster execution of critical parts of several calculation types.



  • New methods and property predictions, such as CM5 atomic charges, Raman and ROA intensities, Truhlar's "calendar" basis set variations, and more.



  • Tools for interfacing Gaussian with external programs in compiled or interpreted languages.



  • A new, larger pruned grid for integration, specified by Int=SuperFineGrid.



Gaussian 09 Revision D.01 is available for download from the official website of Gaussian Inc., the company that develops and distributes Gaussian. However, Gaussian is not a free software; it requires a license agreement and a fee to use it. Moreover, Gaussian is not compatible with all operating systems and hardware platforms; it has specific requirements for installation and execution.


Therefore, some users may resort to downloading Gaussian 09 Revision D.01 from torrent sites, which are online platforms that facilitate peer-to-peer file sharing using the BitTorrent protocol. Torrent sites allow users to upload and download files, such as software, movies, music, books, etc., without any central authority or regulation. However, torrenting has many risks and drawbacks, such as:



  • Legal issues: Torrenting may violate the intellectual property rights of the software developers or owners. Users who download or distribute Gaussian without a valid license may face legal actions or penalties from Gaussian Inc. or other authorities.



  • Security issues: Torrenting may expose users to malware, viruses, spyware, ransomware, or other malicious programs that can harm their computers or data. Users who download Gaussian from torrent sites may not get the original or authentic version of the software; they may get a corrupted or modified version that contains harmful code or bugs.



  • Quality issues: Torrenting may compromise the quality or functionality of the software. Users who download Gaussian from torrent sites may not get the latest or complete version of the software; they may get an outdated or incomplete version that lacks some features or capabilities.



How to Install Gaussian 09 Revision D.01




If you have a valid license and meet the system requirements for Gaussian 09 Revision D.01, you can install it on your computer by following these steps:



  • Download the installation file from the official website of Gaussian Inc. The file name is gaussian-09-d-01.tar.gz.



  • Extract the file to a temporary directory using a program like WinZip or WinRAR.



  • Open a terminal window and navigate to the temporary directory.



  • Type ./install to start the installation process.



  • Follow the instructions on the screen to complete the installation process.



  • Delete the temporary directory after the installation is finished.



You can also refer to the installation guide provided by Gaussian Inc. for more details and troubleshooting tips.


How to Use Gaussian 09 Revision D.01




To use Gaussian 09 Revision D.01, you need to create an input file that specifies the type of calculation you want to perform and the parameters you want to use. The input file is a plain text file that contains keywords, options, commands, data, etc., that control the behavior of Gaussian. You can create an input file using any text editor or using Gauss View, a graphical user interface (GUI) for Gaussian that allows you to create and edit input files, run calculations, and visualize results. You can launch GaussView from the Start menu or from the terminal window by typing gv.


Once you have an input file, you can run a calculation using Gaussian by typing g09 in the terminal window. You can also run a calculation using GaussView by clicking on the Submit button. Gaussian will generate an output file that contains the results and information of the calculation. You can view the output file using any text editor or using GaussView.


You can also perform various post-processing tasks using Gaussian utilities, such as:



  • GaussSum: A program that extracts and analyzes data from Gaussian output files, such as energies, geometries, frequencies, charges, orbitals, etc.



  • Cubegen: A program that generates cube files that contain volumetric data, such as electron density, electrostatic potential, molecular orbitals, etc.



  • Formchk: A program that converts checkpoint files to formatted checkpoint files that can be used by other programs or utilities.



  • Test: A program that performs various tests and checks on Gaussian output files, such as symmetry analysis, basis set consistency, convergence criteria, etc.



You can also refer to the user manual and the online help provided by Gaussian Inc. for more details and examples on how to use Gaussian 09 Revision D.01.


Advantages and Disadvantages of Gaussian 09 Revision D.01




Gaussian 09 Revision D.01 is a powerful and versatile software that can help you study and understand various aspects of molecular systems and reactions. However, it also has some advantages and disadvantages that you should be aware of before using it. Here are some of them:


Advantages





  • Gaussian 09 Revision D.01 offers a wide range of methods and models that can handle different types of problems and systems, from small molecules to macromolecules, from gas phase to condensed phase, from ground state to excited state, etc.



  • Gaussian 09 Revision D.01 provides high accuracy and reliability for many types of calculations, especially for those involving DFT and CC methods. It also incorporates the latest developments and improvements in computational chemistry theory and practice.



  • Gaussian 09 Revision D.01 supports parallel computing and GPU acceleration, which can significantly speed up the calculations and allow users to study larger and more complex systems.



  • Gaussian 09 Revision D.01 has a user-friendly interface and a comprehensive documentation that can help users to create input files, run calculations, and analyze results easily and efficiently.



Disadvantages





  • Gaussian 09 Revision D.01 is not a free software; it requires a license agreement and a fee to use it. Moreover, it is not compatible with all operating systems and hardware platforms; it has specific requirements for installation and execution.



  • Gaussian 09 Revision D.01 may not be able to handle some types of problems or systems that require more advanced or specialized methods or models, such as relativistic effects, spin-orbit coupling, non-adiabatic dynamics, etc.



  • Gaussian 09 Revision D.01 may not be able to provide accurate or reliable results for some types of calculations or systems that involve strong correlation effects, multi-reference character, dispersion interactions, etc.



  • Gaussian 09 Revision D.01 may have some limitations or errors in some features or capabilities that may affect the quality or functionality of the calculations or results.



Alternatives to Gaussian 09 Revision D.01




If you are looking for alternatives to Gaussian 09 Revision D.01, you may want to consider some of these software programs that can also perform electronic structure calculations:



NameDescriptionPrice


GAMESSA general ab initio quantum chemistry package that can perform HF, DFT, MP2, CC, MCSCF, CI, etc., calculations on atoms and molecules.Free for academic users; license required for commercial users.


NWChemA computational chemistry package that can perform HF, DFT, MP2, CCSD(T), TDDFT, QM/MM, etc., calculations on molecules and periodic systems.Free for all users; open source.


MOLPROA comprehensive quantum chemistry package that can perform HF, DFT, MP2, CCSD(T), MRCI+Q, CASSCF/CASPT2 , etc., calculations on atoms and molecules.Free for academic users; license required for commercial users.


ORCAA modern quantum chemistry package that can perform HF, DFT, MP2, CCSD(T), EOM-CCSD, DMRG, QM/MM, etc., calculations on molecules and solids.Free for academic users; license required for commercial users.


Q-ChemA comprehensive quantum chemistry package that can perform HF, DFT, MP2, CCSD(T), ADC(2), EOM-CCSD, TDDFT, QM/MM, etc., calculations on molecules and materials.License required for all users.


These are just some of the examples of the software programs that can perform electronic structure calculations. There are many other programs that have different features and capabilities that may suit your needs and preferences. You can compare and contrast them based on various criteria, such as:



  • The methods and models they support and how accurate and reliable they are for different types of systems and problems.



  • The performance and efficiency they offer and how fast and scalable they are for different sizes and complexities of systems and problems.



  • The interface and documentation they provide and how easy and convenient they are to use and learn.



  • The price and availability they have and how affordable and accessible they are for different types of users and purposes.



Conclusion




Gaussian 09 Revision D.01 is a powerful and versatile software that can predict the properties and behavior of molecules and reactions using various methods and models of computational chemistry. It offers new features and capabilities that allow users to study larger molecular systems and additional areas of chemistry. It also provides improved performance and accuracy for many types of calculations. However, Gaussian 09 Revision D.01 is not a free software; it requires a license agreement and a fee to use it. Moreover, it is not compatible with all operating systems and hardware platforms; it has specific requirements for installation and execution. Therefore, some users may resort to downloading Gaussian 09 Revision D.01 from torrent sites, which have many risks and drawbacks, such as legal issues, security issues, and quality issues. Alternatively, users may consider other software programs that can also perform electronic structure calculations, such as GAMESS, NWChem, MOLPRO, ORCA, Q-Chem, etc., which have different features and capabilities that may suit their needs and preferences.


FAQs




What is Gaussian?




Gaussian is a series of electronic structure programs that can predict the properties and behavior of molecules and reactions using various methods and models of computational chemistry.


What is Gaussian 09 Revision D.01?




Gaussian 09 Revision D.01 is the latest version of Gaussian 09, released in April 2013. It offers new features and capabilities that allow users to study larger molecular systems and additional areas of chemistry. It also provides improved performance and accuracy for many types of calculations.


How to download Gaussian 09 Revision D.01?




Gaussian 09 Revision D.01 is available for download from the official website of Gaussian Inc., the company that develops and distributes Gaussian. However, Gaussian is not a free software; it requires a license agreement and a fee to use it.


Is it safe to download Gaussian 09 Revision D.01 from torrent sites?




No, it is not safe to download Gaussian 09 Revision D.01 from torrent sites. Torrenting has many risks and drawbacks, such as legal issues, security issues, and quality issues. Users who download or distribute Gaussian without a valid license may face legal actions or penalties from Gaussian Inc. or other authorities. Users who download Gaussian from torrent sites may not get the original or authentic version of the software; they may get a corrupted or modified version that contains harmful code or bugs. Users who download Gaussian from torrent sites may not get the latest or complete version of the software; they may get an outdated or incomplete version that lacks some features or capabilities.


What are some alternatives to Gaussian 09 Revision D.01?




Some alternatives to Gaussian 09 Revision D.01 are GAMESS, NWChem, MOLPRO, ORCA, Q-Chem, etc., which are software programs that can also perform electronic structure calculations using various methods and models of computational chemistry. They have different features and capabilities that may suit different types of users and purposes. dcd2dc6462


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