Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_28__CS_5u8383amkkh6_0




Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_28
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_28__CS_5u8383amkkh6_0
Description Configurations with 28 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (33.06%)
Cl (0.13%)
F (0.09%)
H (53.4%)
N (6.48%)
O (5.99%)
S (0.85%)
Number of Configurations 40,125
Number of Atoms 1,123,500
Configurations