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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8025/MD_1178832782333309285008025.json
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{"dipole-moment": 2.0523, "electronic-spatial-extent": 1017.1787, "enthalpy": -422.509798, "heat-capacity": 29.155, "homo-energy": -0.24084, "homo-lumo-gap": 0.31379999999999997, "internal-energy-298K": -422.510742, "lumo-energy": 0.07296, "polarizability": 74.71, "zpve": 0.159343, "hash": "11788327823333092850080258927466156836511190101709467931404726998463022766803004522584941689138228663342229948504568555141960510631601906195393424208730242", "id": "MD_1178832782333309285008025"}
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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 |
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