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-0.4657258772038689
]
] |
[] | null | null | null | null | null | null | 2.706708
| 1.711231
| null |
CO_1128762985736806931214605
|
11287629857368069312146056544514520611544231138734682015839451294776567404674451095270357505906957908125409272857449996757483042647503619211628444275826256
|
13406437000531682630169872516742054842671669376327605544977815569352232449954968699404202293491111406849508002165185647962427043530589908775871463252979340
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
-0.551451114237,
-0.892121964103,
0.797080617299
],
[
-0.705738116922,
0.484337059851,
0.155570606135
],
[
0.550993904948,
0.696757063547,
-0.807126410618
],
[
0.603458905862,
0.58767306165,
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],
[
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1.889135636303
],
[
-1.195468125444,
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0.35239260956
],
[
-1.566064131894,
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],
[
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1.327891074531,
0.905626619188
],
[
1.387385919503,
1.10948207073,
-0.17515039962
]
] |
[
false,
false,
false
] |
C3H4O2
|
C3H4O2
|
A4B3C2
|
[
"C",
"H",
"O"
] |
[
0.3333333333333333,
0.4444444444444444,
0.2222222222222222
] |
[
6,
6,
6,
8,
8,
1,
1,
1,
1
] | 9
| 3
| 0
|
[
0,
0,
0
] |
[
"malonaldehyde_ccsd_t-test_239"
] | null |
data/MD/9219/MD_5605487545401078223069219.json
| null | null | null |
{"basis": "cc-pVDZ", "hash": "560548754540107822306921989865802393302902581250252015496917295595848851082319609699629924000473979556928196341954744070227390271521897163898343226706613", "id": "MD_5605487545401078223069219"}
|
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