Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_24__CS_f97zf15p70wn_0




Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_24
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_24__CS_f97zf15p70wn_0
Description Configurations with 24 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (28.97%)
Cl (0.14%)
F (0.12%)
H (51.47%)
N (6.86%)
O (11.82%)
S (0.62%)
Number of Configurations 138,167
Number of Atoms 3,316,008
Configurations