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Nuclear repulsion energies for C18H12 Tetracene

Energies in hartrees. ( What's a hartree?)
Click on an entry for additional computational results such as vibrational frequencies, optimized geometries, etc.
Energy in hartrees
Methods with predefined basis sets

Energy in hartrees
Methods with standard basis sets
6-31G* 6-311+G(3df,2p) cc-pVDZ cc-pVTZ aug-cc-pVTZ daug-cc-pVTZ
density functional M06-2X   1119.089652        
B97D3           1116.625665
Moller Plesset perturbation B2PLYP=FULLultrafine 1113.855648   1110.353272 1118.666119 1118.303240  
6-31G* 6-311+G(3df,2p) cc-pVDZ cc-pVTZ aug-cc-pVTZ daug-cc-pVTZ
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.
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