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| 2025-04-16T16:56:16
|
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_1358549969789084834849246
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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/9210/MD_1345972488298244436649210.json
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{"dipole-moment": 0.3507, "electronic-spatial-extent": 1071.2111, "enthalpy": -422.56824, "heat-capacity": 29.95, "homo-energy": -0.24755, "homo-lumo-gap": 0.24942, "internal-energy-298K": -422.569184, "lumo-energy": 0.00187, "polarizability": 75.07, "zpve": 0.159518, "hash": "1345972488298244436649210668878853617582629992871442363290569202033746271619685123625550308469249773089979552791129711032355878472470577304597568198454253", "id": "MD_1345972488298244436649210"}
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PO_2201110701683082341191392
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| 2025-04-16T19:02:27
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,498.800809
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1139437167212342471393313
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C7H10O2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7687/MD_4538227851271473563557687.json
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