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PO_1046901128058276301659627 | 10469011280582763016596275821099130936981135470487452889367565664294860054994108426390441750316307930103309765423677208635000791349095552823477936351624227 | 2025-04-16T18:09:42 | DS_iavvqpb14zqv_0 | 1 | Psi4 | CCSD(T) | -4,210.178732 | [
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PO_1046129293863880789358350 | 10461292938638807893583508741298617294181017293772515686561118138324079270988131695965547971217434892821104234639434514467324475360254453487309053398266897 | 2025-04-17T18:37:27 | DS_iavvqpb14zqv_0 | 1 | Psi4 | CCSD(T) | -4,210.302322 | [
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1,
1
] | 9 | 3 | 0 | [
0,
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0
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"ethanol_ccsd_t-test_917"
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PO_5768411288584850547526199 | 5768411288584850547526199358721841228159350587839650146460824246149883960798103698639941077368049435491302596450791153886643642424823918278724456608631182 | 2025-04-16T17:05:19 | DS_iavvqpb14zqv_0 | 1 | Psi4 | CCSD(T) | -4,210.302129 | [
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1.1651904779007... | [] | null | null | null | null | null | null | 2.110097 | 1.386677 | null | CO_1133570795440606865321132 | 11335707954406068653211323390335547559288624819625060203972435469125499628179080530008940611069573420607368118902656274770932060433377062215114128084914771 | 11439257072831385717358674003196027235755010974112634074679609691982133817001826997161919510373459814048814138134344974978641111459891481023439578843919432 | [
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false,
false
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8,
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PO_5776694791659144528169140 | 5776694791659144528169140592817625043722220680056465585244719844502077078302382374892446651390590500330414838151769531557690419484802611233838320012746116 | 2025-04-16T21:52:07 | DS_iavvqpb14zqv_0 | 1 | Psi4 | CCSD(T) | -4,210.309906 | [
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-0.321486959864649... | [] | null | null | null | null | null | null | 3.599208 | 1.755574 | null | CO_4270171503445596274177202 | 4270171503445596274177202524734700387712397634390127788804697076756959512876476786411364284562223643566884889531041639990792763700568312573075326135317217 | 12069151668795441540412851526421207824634047442353049146059105585924449497407087037958986100083167543078680313038020276430784227417935814644267262521172095 | [
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1.134450313567,... | [
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false,
false
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