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Gaussian 98

Free It provides state-of-the-art capabilities for electronic structure modeling
4.2 
Latest version:
Developer:
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Gaussian is the latest in the series of programs. It provides state-of-the-art capabilities for electronic structure modeling. Gaussian is licensed for a wide variety of computer systems. All versions of Gaussian contain every scientific/modeling feature, and none imposes any artificial limitations on calculations other than your computing resources and patience.

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