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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/4532/MD_4123623369508676632124532.json
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{"dipole-moment": 2.6513, "electronic-spatial-extent": 1199.3512, "enthalpy": -422.53186, "heat-capacity": 31.343, "homo-energy": -0.23787, "homo-lumo-gap": 0.24383, "internal-energy-298K": -422.532804, "lumo-energy": 0.00596, "polarizability": 77.82, "zpve": 0.156475, "hash": "4123623369508676632124532694177858045736528437145239520764535905247007346155310764287573286786205824801592232825388063006283803497277121259948426529435983", "id": "MD_4123623369508676632124532"}
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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_8265502411736181340557801
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data/MD/7096/MD_3914180887218068938657096.json
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