Configuration

CO_7139521074173627168459688




Chemical Formula Hill C12H10N2
Configuration Sets CS_k3k3tmavdrdc_0
CS_ytpahucbezma_0
Calculated Properties PO_3893311650822484946853445
PO_5961501828216065328367095
PO_7559411249780787186686052
PO_9770404862698738912427080
ColabFit ID CO_7139521074173627168459688
Names xxMD-CASSCF_azobenzene_test_state2_1971
xxMD-CASSCF_azobenzene_test_state1_1971
xxMD-CASSCF_azobenzene_test_state0_1971
xxMD-DFT_azobenzene_test_1936
Files colabfitspec.json

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