Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_30__CS_s0c3gkxthnmh_0



Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_30
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_30__CS_s0c3gkxthnmh_0
Description Configurations with 30 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (17.66%)
Cl (0.01%)
F (0.05%)
H (58.47%)
N (3.82%)
O (19.51%)
S (0.48%)
Number of Configurations 61,234
Number of Atoms 1,837,020
Configurations