Configuration

CO_7095374366847147593311077




Chemical Formula Hill C12H10N2
Configuration Sets CS_k3k3tmavdrdc_0
CS_ytpahucbezma_0
Calculated Properties PO_1320571327029006836980887
PO_8116918608049438851408535
PO_8204954889063911603792290
PO_8888419265490784606155038
ColabFit ID CO_7095374366847147593311077
Names xxMD-CASSCF_azobenzene_test_state2_385
xxMD-CASSCF_azobenzene_test_state1_385
xxMD-CASSCF_azobenzene_test_state0_385
xxMD-DFT_azobenzene_test_385
Files colabfitspec.json

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