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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Comparisons > Energy > Similar molecules > Isomers OR FAQ Help > List > Similar molecules > Isomers |
index | Species | CAS number | Name | Relative experimental enthalpy (kJ mol-1) | sketch |
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a | H2CONH2+ | 9000770 | protonated formamide | ![]() |
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b | NH3CHO+ | 9000924 | Formamide, N-Protonated | ![]() |
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c | NH2CHOH+ | 50785803 | Formamide, O-protonated | ![]() |
semi-empirical | AM1 | 662.7 a 662.7 c |
---|---|---|
PM3 | 704.6 a 704.6 c |
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PM6 | 674.1 a 674.1 c |
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composite | G1 | NC NC |
G2MP2 | NC NC |
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G2 | NC NC |
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G3 | NC NC |
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G3B3 | NC NC |
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G4 | NC NC |
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CBS-Q | NC NC |