EXPREP:UNIT A au
EXPREP:UNIT B 1/angstrom
EXPREP:SCALE 1 0.0
EXPREP:SCALE 2 1.0
EXPREP:SCALE 3 1.0
EXPREP:MIX A GEOMETRIC
EXPREP:MIX B ARITHMETIC
EXPREP:PARS O 4.2117588157e+02 4.4654231357e+00
EXPREP:PARS N 4.9873214987e+00 4.4265465464e+00
EXPREP:PARS C 4.3843216584e+02 4.4132795167e+00
EXPREP:PARS H 2.9875648798e+00 4.4371927495e+00
