xref: /dports/science/nwchem-data/nwchem-7.0.2-release/src/rism/QA/solvent3.data

O        1     1  0.031E+00   0.0000E+00  0.0000E+01  0.0000E+01  3.1680E+00  0.6502E+00  -.8400E+00
H        1     2  0.031E+00   0.9584E+00  0.0000E+01  0.0000E+01  1.1657E+00  0.0650E+00  0.4200E+00
H        1     2  0.031E+00   -.2392E+00  0.9281E+00  0.0000E+01  1.1657E+00  0.0650E+00  0.4200E+00
Na       2     1  1.7913E-4   3.0000E+00  0.0000E+01  0.0000E+01  3.3284E+00  0.0116E+00  1.0000E+00
Cl       3     1  1.7913e-4   4.0000E+00  0.0000E+01  0.0000E+01  4.3136E+0   0.493E+00   -.1000E+01