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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_4431980129126823360622306
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2437/MD_3228804114409355880172437.json
| null |
{"dipole-moment": 2.257, "electronic-spatial-extent": 1003.0213, "enthalpy": -422.496794, "heat-capacity": 29.617, "homo-energy": -0.238, "homo-lumo-gap": 0.32821, "internal-energy-298K": -422.497738, "lumo-energy": 0.09021, "polarizability": 74.52, "zpve": 0.157815, "hash": "3228804114409355880172437640461472238820379120035359092969442448424143599174326434063107246103215397983440117204696896474060338370646083852251228750469594", "id": "MD_3228804114409355880172437"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_3932788460795109394852775
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| 2025-04-17T18:16:17
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,498.633813
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2380828722528228056059441
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C7H10O2
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7664/MD_6568889509825681957567664.json
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