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PO_4911487050795438224771177 | 4911487050795438224771177855531865499498453734669872253134046082437441335328998203368486273996850885749985230076280244432077224408027112313564652490796036 | 2025-04-16T21:51:00 | DS_ktku4cml3al7_0 | 1 | ORCA 5.0.2 | DFT-wb97x | -8,232.950463 | [
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PO_4911929897084187755319701 | 4911929897084187755319701806131393809858896398820643162993038002241839056341980446515480681909238234784503569582258703421765188098612024821219056232390904 | 2025-04-16T17:31:20 | DS_ktku4cml3al7_0 | 1 | ORCA 5.0.2 | DFT-wb97x | -9,875.848401 | [
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PO_4910688836175054383914044 | 4910688836175054383914044084944116965022115581153558695985161243202545151385330329261443046865774093086377863371488885429901579945348679952273688115120743 | 2025-04-16T18:31:03 | DS_ktku4cml3al7_0 | 1 | ORCA 5.0.2 | DFT-wb97x | -9,875.909169 | [
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[
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PO_4901845409345669592743170 | 4901845409345669592743170808446153637158406205829669263117607774657040134939256768955808568276435903710893364678985961344688061988729126990264303625393240 | 2025-04-16T20:20:36 | DS_ktku4cml3al7_0 | 1 | ORCA 5.0.2 | DFT-wb97x | -9,874.227098 | [
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[
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0.76180627914662... | [
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PO_4901624183113609765242556 | 4901624183113609765242556941047729827043302712816755863210418056879453413515740548545542024609415144177422945359356835616043276940158875555229904260154642 | 2025-04-16T16:10:44 | DS_ktku4cml3al7_0 | 1 | ORCA 5.0.2 | DFT-wb97x | -9,877.087957 | [
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[
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0.762222501... | [
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PO_4910919016987911759981561 | 4910919016987911759981561556436956597254927234575978201513207390819065992178510621907859848581101574007473126369644395612174278019774043242710947969869057 | 2025-04-16T16:33:14 | DS_ktku4cml3al7_0 | 1 | ORCA 5.0.2 | DFT-wb97x | -9,875.002493 | [
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[
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... | [
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PO_4901484021177020104767175 | 4901484021177020104767175156975113335678133323952985858018494027576065468807583343377531935121518582982469241436506099051683108203827026214237424012151183 | 2025-04-16T17:18:25 | DS_ktku4cml3al7_0 | 1 | ORCA 5.0.2 | DFT-wb97x | -9,876.232821 | [
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[
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