Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_21__CS_mp6cpuncp8hf_0




Name ANI-2x-B973c-def2mTZVP_num_atoms_21
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_21__CS_mp6cpuncp8hf_0
Description Configurations with 21 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (27.82%)
Cl (0.16%)
F (0.15%)
H (54.15%)
N (6.37%)
O (10.49%)
S (0.86%)
Number of Configurations 152,685
Number of Atoms 3,206,385
Configurations