Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_18__CS_ds3jgioz1opt_0




Name ANI-2x-wB97MV-def2TZVPP_num_atoms_18
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_18__CS_ds3jgioz1opt_0
Description Configurations with 18 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (30.07%)
Cl (0.25%)
F (0.27%)
H (53.58%)
N (7.81%)
O (6.44%)
S (1.58%)
Number of Configurations 404,326
Number of Atoms 7,277,868
Configurations