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| 2025-04-16T15:42:27
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DS_olmzgsz9hmxy_0
| 1
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Gaussian 09
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G4MP2
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1032850343540648405502565
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6581/MD_2078615641754749530636581.json
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{"dipole-moment": 1.6792, "electronic-spatial-extent": 1051.4555, "enthalpy": -422.490355, "heat-capacity": 30.546, "homo-energy": -0.2424, "homo-lumo-gap": 0.29351, "internal-energy-298K": -422.491299, "lumo-energy": 0.05111, "polarizability": 74.53, "zpve": 0.157455, "hash": "2078615641754749530636581394810327903854929320047255304341328691388130671033803768267359289613262217733921375498843023701392873329331316352727680025614590", "id": "MD_2078615641754749530636581"}
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PO_1245915245112879771213151
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| 2025-04-16T17:19:33
|
DS_olmzgsz9hmxy_0
| 1
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Gaussian 09
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G4MP2
| -11,497.727809
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9868190244012832687771788
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C7H10O2
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0852/MD_1074608810316379964770852.json
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