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| 2025-04-16T16:05:52
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DS_olmzgsz9hmxy_0
| 1
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Gaussian 09
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G4MP2
| -11,498.323031
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1155835531880465565593801
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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/8980/MD_1338177496711164858768980.json
| null |
{"dipole-moment": 2.6323, "electronic-spatial-extent": 1044.2446, "enthalpy": -422.515237, "heat-capacity": 29.805, "homo-energy": -0.24726, "homo-lumo-gap": 0.3198, "internal-energy-298K": -422.516181, "lumo-energy": 0.07254, "polarizability": 74.93, "zpve": 0.158532, "hash": "13381774967111648587689807959321153393443002167741941139031651705250477125102106178662900873330640531046833837235017072771490973650453631413963590687068820", "id": "MD_1338177496711164858768980"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_6148051198090589271179885
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| 2025-04-16T22:03:29
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,497.943133
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1309279215416686577088467
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C7H10O2
|
C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4072/MD_2178965500708529140264072.json
| null |
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