Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_22__CS_lbq5lwbjaivd_0



Name ANI-2x-wB97MV-def2TZVPP_num_atoms_22
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_22__CS_lbq5lwbjaivd_0
Description Configurations with 22 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (35.32%)
Cl (0.21%)
F (0.19%)
H (50.23%)
N (8.02%)
O (4.99%)
S (1.03%)
Number of Configurations 104,967
Number of Atoms 2,309,274
Configurations