Configuration

CO_1195840743322826067646413




Chemical Formula Hill C12H10N2
Configuration Sets CS_k3k3tmavdrdc_0
CS_ytpahucbezma_0
Calculated Properties PO_1082803730633115054406226
PO_2581315208772647447570919
PO_3277080115550638169999787
PO_6170226065080735508287180
ColabFit ID CO_1195840743322826067646413
Names xxMD-CASSCF_azobenzene_test_state2_403
xxMD-CASSCF_azobenzene_test_state1_403
xxMD-CASSCF_azobenzene_test_state0_403
xxMD-DFT_azobenzene_test_403
Files colabfitspec.json

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