Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_5__CS_ppzzl7zsrz3g_0



Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_5
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_5__CS_ppzzl7zsrz3g_0
Description Configurations with 5 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (16.38%)
Cl (9.43%)
F (10.61%)
H (37.21%)
N (5.22%)
O (12.81%)
S (8.34%)
Number of Configurations 28,446
Number of Atoms 142,230
Configurations