# Example for calculating overlaps of primitive basis functions for almost
# coinciding nuclear coordinates, using the key CALCOVERLAPONLY. ADF will stop
# after the calculation of these overlaps. The overlap is printed in the output,
# but is also present on TAPE15 in binary format in Matrices%Smat.
# Could be useful for external programs like SHARC.
C 0.1662008 -0.0114225 0.0220295 region=one
S 1.7387976 0.003246 -0.0021948 region=one
H -0.3207087 0.9655128 -0.0963368 region=one
H -0.479404 -0.9324828 -0.0963367 region=one
C 0.167746 -0.0109425 0.0203042 region=two
S 1.7382268 0.002927 -0.0020154 region=two
H -0.329981 0.9728265 -0.0893183 region=two
H -0.4704213 -0.9353924 -0.088502 region=two
# Prevents AMS from stopping in case of almost-coinciding nuclei
Title CH2S overlap of near identical geometries