Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_32__CS_ppa8oftlw8bh_0



Name ANI-2x-B973c-def2mTZVP_num_atoms_32
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_32__CS_ppa8oftlw8bh_0
Description Configurations with 32 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (30.8%)
Cl (0.02%)
F (0.01%)
H (55.69%)
N (5.22%)
O (7.62%)
S (0.63%)
Number of Configurations 19,198
Number of Atoms 614,336
Configurations