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| 2025-04-16T16:30:42
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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_1086497649794721213506403
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6095/MD_4329583191499599648656095.json
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{"dipole-moment": 2.7237, "electronic-spatial-extent": 1206.2895, "enthalpy": -422.564435, "heat-capacity": 31.909, "homo-energy": -0.24586, "homo-lumo-gap": 0.22435, "internal-energy-298K": -422.565379, "lumo-energy": -0.02151, "polarizability": 74.85, "zpve": 0.156371, "hash": "4329583191499599648656095576208746690842881020341195172148838398921066028601533548430180500487080968042118755633281649742127675350637276337085735144779735", "id": "MD_4329583191499599648656095"}
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PO_1300454030041736744603006
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| 2025-04-16T21:27:46
|
DS_olmzgsz9hmxy_0
| 1
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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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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/9340/MD_7460921888850416102869340.json
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