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C6H6
|
CH
|
AB
|
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data/MD/9219/MD_5605487545401078223069219.json
| null | null | null |
{"basis": "cc-pVDZ", "hash": "560548754540107822306921989865802393302902581250252015496917295595848851082319609699629924000473979556928196341954744070227390271521897163898343226706613", "id": "MD_5605487545401078223069219"}
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PO_4844331079115617068214162
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| 2025-04-17T17:35:57
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DS_jol8dvjej92n_0
| 1
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Psi4
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CCSD(T)
| -6,297.405702
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C6H6
|
CH
|
AB
|
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[
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[
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data/MD/9219/MD_5605487545401078223069219.json
| null | null | null |
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PO_4867188605696819593416319
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| 2025-04-16T17:35:49
|
DS_jol8dvjej92n_0
| 1
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Psi4
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CCSD(T)
| -6,297.405491
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CO_7414703331741089235906779
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C6H6
|
CH
|
AB
|
[
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[
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| 2
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[
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data/MD/9219/MD_5605487545401078223069219.json
| null | null | null |
{"basis": "cc-pVDZ", "hash": "560548754540107822306921989865802393302902581250252015496917295595848851082319609699629924000473979556928196341954744070227390271521897163898343226706613", "id": "MD_5605487545401078223069219"}
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PO_4885294036091355696296820
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| 2025-04-16T16:55:24
|
DS_jol8dvjej92n_0
| 1
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Psi4
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CCSD(T)
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CO_9117926572949982717104039
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C6H6
|
CH
|
AB
|
[
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[
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[
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| 2
| 0
|
[
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[
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] | null |
data/MD/9219/MD_5605487545401078223069219.json
| null | null | null |
{"basis": "cc-pVDZ", "hash": "560548754540107822306921989865802393302902581250252015496917295595848851082319609699629924000473979556928196341954744070227390271521897163898343226706613", "id": "MD_5605487545401078223069219"}
|
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