Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_38__CS_j4vj0ox1lfoa_0




Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_38
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_38__CS_j4vj0ox1lfoa_0
Description Configurations with 38 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (31.19%)
Cl (0.0%)
H (52.07%)
N (6.36%)
O (10.11%)
S (0.27%)
Number of Configurations 22,098
Number of Atoms 839,724
Configurations