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PO_1130484482456765526019904 | 11304844824567655260199041777558708109052385952113560697938279258309024229011604163073751580110980752986472793246433064524038270555472993621707725139883600 | 2025-04-16T16:43:28 | DS_yw3sqtaq40ll_0 | 1 | Psi4 | CCSD(T) | -7,246.060202 | [
[
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[
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0.485753553545... | [] | null | null | null | null | null | null | 4.009585 | 1.629936 | null | CO_1157210277494112076417838 | 11572102774941120764178388507456335497796345505192852181708863987676583738057680173403718623542735898568707113274927611546240050823872224096613316452465741 | 1773250397871189600357876393921978290244832431127894852399348662741388803011760258764075330158676854153344353096307353296329487753808321357568196876811359 | [
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[
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-1.7492842520... | [
false,
false,
false
] | C3H4O2 | C3H4O2 | A4B3C2 | [
"C",
"H",
"O"
] | [
0.3333333333333333,
0.4444444444444444,
0.2222222222222222
] | [
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"malonaldehyde_ccsd_t-test_412"
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PO_1132713736697814332285778 | 1132713736697814332285778314579635159529436645813525933092120577356649577943942375232816367826853277562215114540046764386723717692879851958204354311946215 | 2025-04-16T19:56:50 | DS_yw3sqtaq40ll_0 | 1 | Psi4 | CCSD(T) | -7,245.989926 | [
[
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[
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[
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... | [] | null | null | null | null | null | null | 2.986256 | 1.807812 | null | CO_6282297881368089499849423 | 628229788136808949984942340927693136591268981114939452952621757670745353560486556242466508823670123086812593096005375350497636163023304013413566393235486 | 2449095234957584833355405966773512983018583508623960731993111605722326465881880677849179814788170647746942030740487289264068287256974860668548445889138121 | [
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[
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-1.056286371... | [
false,
false,
false
] | C3H4O2 | C3H4O2 | A4B3C2 | [
"C",
"H",
"O"
] | [
0.3333333333333333,
0.4444444444444444,
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] | [
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8,
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"malonaldehyde_ccsd_t-test_147"
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PO_5856404915719765616323582 | 5856404915719765616323582597249187530222349974010281559517181358732024814295965579728865220463873468609371274841575694033204641986005882588812811611912762 | 2025-04-16T18:43:26 | DS_yw3sqtaq40ll_0 | 1 | Psi4 | CCSD(T) | -7,245.521814 | [
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[
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... | [] | null | null | null | null | null | null | 5.484369 | 2.43026 | null | CO_7497581921739645884401588 | 7497581921739645884401588260581861516104457678397802469916382561743057120675311985491819015784602434004328005606573317029099058372764134457736617579795484 | 7399069746592115347073378364463020654394235140775576920073653340871712051525268879660056146082290753027961523614567484182754032267098158036655532940437507 | [
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[
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[
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1.072113562086,
... | [
false,
false,
false
] | C3H4O2 | C3H4O2 | A4B3C2 | [
"C",
"H",
"O"
] | [
0.3333333333333333,
0.4444444444444444,
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] | [
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8,
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"malonaldehyde_ccsd_t-test_341"
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PO_1135750672961678963164058 | 11357506729616789631640589011146212052256115926212150318330055960227281545214127983889621036121022104638093220878042802781248505586192053485330514489982029 | 2025-04-16T21:52:07 | DS_yw3sqtaq40ll_0 | 1 | Psi4 | CCSD(T) | -7,245.952378 | [
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[
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... | [] | null | null | null | null | null | null | 2.779785 | 1.710136 | null | CO_8302353761727272676289467 | 8302353761727272676289467076596738205593081260219912419052727884849992448974920613121280383574754385024895111711141790127027832534844435073377552501640625 | 10350010648308799425216323758096150020940988307348579601871318007096372153779780841082770533869619310249916898208773040603990830750936019836217160950353031 | [
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[
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[
0.88186678053,
1.105264551... | [
false,
false,
false
] | C3H4O2 | C3H4O2 | A4B3C2 | [
"C",
"H",
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] | [
0.3333333333333333,
0.4444444444444444,
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