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| 2025-04-16T21:57:13
|
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_1019314500116338558556628
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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/1946/MD_3163602235580964730301946.json
| null |
{"dipole-moment": 2.715, "electronic-spatial-extent": 1171.2022, "enthalpy": -422.509956, "heat-capacity": 32.862, "homo-energy": -0.2434, "homo-lumo-gap": 0.22254000000000002, "internal-energy-298K": -422.5109, "lumo-energy": -0.02086, "polarizability": 76.57, "zpve": 0.155092, "hash": "3163602235580964730301946576344231996433174569936041543638653210358197024816586551712331319230200311403758006013957555303554275252523609920570372086631093", "id": "MD_3163602235580964730301946"}
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PO_3163911003064245637840087
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| 2025-04-16T16:33:14
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
|
G4MP2
| -11,500.123854
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1853269470357504391183080
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C7H10O2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5498/MD_2171950314311576530235498.json
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