Configuration

CO_9536353760321764429452606




Chemical Formula Hill C12H10N2
Configuration Sets CS_k3k3tmavdrdc_0
CS_ytpahucbezma_0
Calculated Properties PO_5402094760506447477540299
PO_8174770148211188228690801
PO_8959539837529198943583315
PO_9775264600067470771855781
ColabFit ID CO_9536353760321764429452606
Names xxMD-CASSCF_azobenzene_test_state2_406
xxMD-CASSCF_azobenzene_test_state1_406
xxMD-CASSCF_azobenzene_test_state0_406
xxMD-DFT_azobenzene_test_406
Files colabfitspec.json

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