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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_4597935442387686125278371
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5510/MD_6808842661522696075205510.json
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{"dipole-moment": 0.9387, "electronic-spatial-extent": 1206.0712, "enthalpy": -422.402941, "heat-capacity": 31.51, "homo-energy": -0.22883, "homo-lumo-gap": 0.27881, "internal-energy-298K": -422.403885, "lumo-energy": 0.04998, "polarizability": 76.73, "zpve": 0.156197, "hash": "6808842661522696075205510232679962301933346069011713677576729750886061938166345062946555793419498219154160628698247809989385314847901622760012337550865095", "id": "MD_6808842661522696075205510"}
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PO_1538895209838893635502442
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| 2025-04-16T16:08:30
|
DS_olmzgsz9hmxy_0
| 1
|
Gaussian 09
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G4MP2
| -11,498.853545
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[] |
[] | null | null | null | null | null | null | null | null | null |
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A10B7C2
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/3158/MD_3509439343865219208893158.json
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