Configuration

CO_8025406813679313869750166




Chemical Formula Hill C12H10N2
Configuration Sets CS_k3k3tmavdrdc_0
CS_ytpahucbezma_0
Calculated Properties PO_1178254792239706858803817
PO_2103775990469285356479616
PO_3088862264222628263940617
PO_3183003736802446375854185
ColabFit ID CO_8025406813679313869750166
Names xxMD-CASSCF_azobenzene_test_state2_354
xxMD-CASSCF_azobenzene_test_state1_354
xxMD-CASSCF_azobenzene_test_state0_354
xxMD-DFT_azobenzene_test_354
Files colabfitspec.json

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