Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_33__CS_srxpqwubsvey_0



Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_33
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_33__CS_srxpqwubsvey_0
Description Configurations with 33 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (16.45%)
Cl (0.01%)
F (0.0%)
H (58.33%)
N (4.21%)
O (20.7%)
S (0.3%)
Number of Configurations 58,401
Number of Atoms 1,927,233
Configurations