Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_6__CS_z5fgvvkuiqvv_0



Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_6
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_6__CS_z5fgvvkuiqvv_0
Description Configurations with 6 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (13.28%)
Cl (3.03%)
F (3.46%)
H (48.5%)
N (5.39%)
O (22.5%)
S (3.85%)
Number of Configurations 126,213
Number of Atoms 757,278
Configurations