Configuration

CO_7391377300226148569677945




Chemical Formula Hill C12H10N2
Configuration Sets CS_k3k3tmavdrdc_0
CS_ytpahucbezma_0
Calculated Properties PO_1120703763237187115440477
PO_2296285134044904730255669
PO_2800888057487299445000460
ColabFit ID CO_7391377300226148569677945
Names xxMD-CASSCF_azobenzene_test_state2_1983
xxMD-CASSCF_azobenzene_test_state1_1983
xxMD-CASSCF_azobenzene_test_state0_1983
xxMD-DFT_azobenzene_test_1948
Files colabfitspec.json

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