Configuration

CO_8844799182957060227522093




Chemical Formula Hill C12H10N2
Configuration Sets CS_k3k3tmavdrdc_0
CS_ytpahucbezma_0
Calculated Properties PO_2206713053572476673654429
PO_5146728313018206437469965
PO_7176165107073681912427181
PO_9197905829090345934332627
ColabFit ID CO_8844799182957060227522093
Names xxMD-CASSCF_azobenzene_test_state2_776
xxMD-CASSCF_azobenzene_test_state1_776
xxMD-CASSCF_azobenzene_test_state0_776
xxMD-DFT_azobenzene_test_776
Files colabfitspec.json

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