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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8941/MD_9749565303645113518938941.json
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{"dipole-moment": 3.4806, "electronic-spatial-extent": 1390.9183, "enthalpy": -422.577676, "heat-capacity": 33.868, "homo-energy": -0.24993, "homo-lumo-gap": 0.19115000000000001, "internal-energy-298K": -422.57862, "lumo-energy": -0.05878, "polarizability": 80.75, "zpve": 0.155788, "hash": "9749565303645113518938941096149463252522021467631864126463320058561867929508177998342057370667708491536920121323434810856629068132535460483759330538617300", "id": "MD_9749565303645113518938941"}
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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_1154985555888734431383775
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data/MD/4476/MD_8509555399736122030294476.json
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