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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/3555/MD_1249271600770676835313555.json
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{"dipole-moment": 3.0287, "electronic-spatial-extent": 1044.3093, "enthalpy": -422.489859, "heat-capacity": 32.358, "homo-energy": -0.23759, "homo-lumo-gap": 0.30164, "internal-energy-298K": -422.490803, "lumo-energy": 0.06405, "polarizability": 74.89, "zpve": 0.155172, "hash": "12492716007706768353135553993311441602719582464607742660222250142587934365125068240778000622450037002010116879497258021623983063519227146205826440820713571", "id": "MD_1249271600770676835313555"}
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PO_6557900144316197687050519
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DS_olmzgsz9hmxy_0
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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_4061017127622475802774642
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data/MD/5173/MD_1021896694530161651995173.json
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