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| 2025-04-16T20:22:06
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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 |
CO_5622584054601220083000673
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C7H10O2
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1748/MD_2009615964634081233581748.json
| null |
{"dipole-moment": 4.0875, "electronic-spatial-extent": 1326.4872, "enthalpy": -422.567561, "heat-capacity": 35.434, "homo-energy": -0.25249, "homo-lumo-gap": 0.20978, "internal-energy-298K": -422.568505, "lumo-energy": -0.04271, "polarizability": 78.69, "zpve": 0.153597, "hash": "2009615964634081233581748016490991346549214116837366062126494194539902068636641173047768170420387637797947152914731167569357148574892624148100577802557970", "id": "MD_2009615964634081233581748"}
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PO_8319549580851188843808838
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| 2025-04-16T18:04:10
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,499.531244
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4240852563690785141701075
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C7H10O2
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2713/MD_1009984843942563855432713.json
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