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DS_olmzgsz9hmxy_0
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Gaussian 09
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0417/MD_9167157680341354913120417.json
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{"dipole-moment": 2.0086, "electronic-spatial-extent": 980.8149, "enthalpy": -422.592781, "heat-capacity": 28.835, "homo-energy": -0.2382, "homo-lumo-gap": 0.22494999999999998, "internal-energy-298K": -422.593725, "lumo-energy": -0.01325, "polarizability": 73.92, "zpve": 0.160076, "hash": "9167157680341354913120417155095424039594701814290082189142374468377486045896233023205195203531261658526501753241291438497840982306409038085805066004354670", "id": "MD_9167157680341354913120417"}
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PO_5010663515279339486778695
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| 2025-04-16T21:13:01
|
DS_olmzgsz9hmxy_0
| 1
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Gaussian 09
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G4MP2
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[] |
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data/MD/8282/MD_1028575474469561222028282.json
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