Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_27__CS_ep02qmjr5lvm_0



Name ANI-2x-B973c-def2mTZVP_num_atoms_27
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_27__CS_ep02qmjr5lvm_0
Description Configurations with 27 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (22.57%)
Cl (0.06%)
F (0.09%)
H (56.04%)
N (5.12%)
O (15.56%)
S (0.55%)
Number of Configurations 78,953
Number of Atoms 2,131,731
Configurations