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| 2025-04-16T16:32:54
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,498.898171
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7392864932709056396818109
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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/7997/MD_1157783683104981427527997.json
| null |
{"dipole-moment": 3.2252, "electronic-spatial-extent": 1705.922, "enthalpy": -422.527855, "heat-capacity": 37.405, "homo-energy": -0.25852, "homo-lumo-gap": 0.20175000000000004, "internal-energy-298K": -422.528799, "lumo-energy": -0.05677, "polarizability": 79.5, "zpve": 0.153006, "hash": "1157783683104981427527997129324934826006913489403005530625930125703633140009793733591347250061600910957157887394557618844983054562304014274941167778223780", "id": "MD_1157783683104981427527997"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_6871022926536679010232555
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| 2025-04-16T16:03:51
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,499.256083
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3495537942802073537638690
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C7H10O2
|
C7H10O2
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A10B7C2
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8541/MD_6396274707136518303088541.json
| null |
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