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[
0.336811439,
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]
] |
[
false,
false,
false
] |
C7H10O2
|
C7H10O2
|
A10B7C2
|
[
"C",
"H",
"O"
] |
[
0.3684210526315789,
0.5263157894736842,
0.10526315789473684
] |
[
6,
6,
6,
6,
6,
8,
6,
8,
6,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19
| 3
| 0
|
[
0,
0,
0
] |
[
"dsC7O2H10nsd_2545"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1321/MD_1258325556875924933851321.json
| null |
{"dipole-moment": 1.6408, "electronic-spatial-extent": 1212.011, "enthalpy": -422.532879, "heat-capacity": 31.926, "homo-energy": -0.23803, "homo-lumo-gap": 0.24631999999999998, "internal-energy-298K": -422.533823, "lumo-energy": 0.00829, "polarizability": 79.87, "zpve": 0.156789, "hash": "12583255568759249338513211221900046572657991287982544614322093639064873821590560836742732564024504692917779988997207837222584288807283836865772936752438549", "id": "MD_1258325556875924933851321"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
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