Configuration

CO_3989162207705430816842928




Chemical Formula Hill C12H10N2
Configuration Sets CS_k3k3tmavdrdc_0
CS_ytpahucbezma_0
Calculated Properties PO_1305208668840701258742995
PO_5401138290326684578789877
PO_7068035166127034413758400
PO_8348522983482916318539028
ColabFit ID CO_3989162207705430816842928
Names xxMD-CASSCF_azobenzene_test_state2_556
xxMD-CASSCF_azobenzene_test_state1_556
xxMD-CASSCF_azobenzene_test_state0_556
xxMD-DFT_azobenzene_test_556
Files colabfitspec.json

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