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| 2025-04-16T21:51:46
|
DS_olmzgsz9hmxy_0
| 1
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Gaussian 09
|
G4MP2
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|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9292025569144358359522207
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C7H10O2
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C7H10O2
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A10B7C2
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6162/MD_3572370882786582287376162.json
| null |
{"dipole-moment": 2.6109, "electronic-spatial-extent": 1062.1507, "enthalpy": -422.491124, "heat-capacity": 33.105, "homo-energy": -0.24549, "homo-lumo-gap": 0.31374, "internal-energy-298K": -422.492068, "lumo-energy": 0.06825, "polarizability": 75.52, "zpve": 0.156115, "hash": "3572370882786582287376162841997040530005013930120171206649182903642283647608942515696521933258185298374249306998087736108009178944817867246345668202090812", "id": "MD_3572370882786582287376162"}
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PO_5872240542848400145164055
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| 2025-04-16T18:55:10
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,497.692816
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5444317771567930208807151
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C7H10O2
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C7H10O2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9105/MD_1289242944168009919779105.json
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