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| 2025-04-16T15:41:03
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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_4243794552334530981135724
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C7H10O2
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5326/MD_4921363768832586092545326.json
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{"dipole-moment": 3.696, "electronic-spatial-extent": 1381.5654, "enthalpy": -422.573343, "heat-capacity": 32.355, "homo-energy": -0.24916, "homo-lumo-gap": 0.19369, "internal-energy-298K": -422.574287, "lumo-energy": -0.05547, "polarizability": 81.25, "zpve": 0.156521, "hash": "4921363768832586092545326149213256837874294247456403860210594427797427494270837957927200726023873909992073861142523016119669197126681035497250316095413603", "id": "MD_4921363768832586092545326"}
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PO_5990128437389635621803769
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| 2025-04-16T15:09:29
|
DS_olmzgsz9hmxy_0
| 1
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Gaussian 09
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G4MP2
| -11,496.99947
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5045287972264065928135410
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C7H10O2
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/1853/MD_7611522561548028092411853.json
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