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PO_1061104093189175022512716 | 10611040931891750225127166569371236612861362063519730982746700113481741782022815878148815944686279920234011321242130713101452832838874082086401125646230986 | 2025-04-16T20:58:52 | DS_1y25o4zvyfm0_0 | 1 | ORCA | DFT-revPBE+D3 | -3,155.163215 | [
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[
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false,
false
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0.5,
0.5
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6
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PO_1061339058937190887395850 | 10613390589371908873958502965733094839446281398282597303843823236099267028558528494710222319201879468155263034151989048980554118054248454497852168298330919 | 2025-04-16T21:37:17 | DS_1y25o4zvyfm0_0 | 1 | ORCA | DFT-revPBE+D3 | -5,168.644463 | [
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false,
false
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0.6,
0.2,
0.2
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6,
1,
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8
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PO_1061271730353377360232546 | 10612717303533773602325465442594189605608137684917748180472393576702549488685866122540516586058028363154968162498560698842634264122238941408372374724342806 | 2025-04-16T17:47:40 | DS_1y25o4zvyfm0_0 | 1 | ORCA | DFT-revPBE+D3 | -4,147.793363 | [
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[
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false,
false,
false
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"C",
"H",
"O"
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0.4,
0.4,
0.2
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1,
1
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