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| 2025-04-16T16:25:12
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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_7126828269954476994261678
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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/5147/MD_1211768220020002877695147.json
| null |
{"dipole-moment": 2.9273, "electronic-spatial-extent": 1018.3557, "enthalpy": -422.493533, "heat-capacity": 33.705, "homo-energy": -0.24957, "homo-lumo-gap": 0.31828, "internal-energy-298K": -422.494477, "lumo-energy": 0.06871, "polarizability": 75.16, "zpve": 0.154849, "hash": "12117682200200028776951475986866520115127409652792963849578135347933321982512270338761711476312481874634026740639693855487123841799602072542547480476626148", "id": "MD_1211768220020002877695147"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1829150265906458757745340
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| 2025-04-16T21:56:50
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,497.946616
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9560662388516609699110258
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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/6716/MD_5755794685556589409576716.json
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