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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0228/MD_1048261385777602122250228.json
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{"dipole-moment": 0.7548, "electronic-spatial-extent": 892.6378, "enthalpy": -422.565083, "heat-capacity": 28.685, "homo-energy": -0.23909, "homo-lumo-gap": 0.31884999999999997, "internal-energy-298K": -422.566027, "lumo-energy": 0.07976, "polarizability": 72.68, "zpve": 0.160036, "hash": "10482613857776021222502285036963429486449814855392357583361751395291979035776060338655730356560107122618315841030468204318790257342063819849222444841386396", "id": "MD_1048261385777602122250228"}
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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_1261882844427247405149039
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