QMDFFREP:UNIT A au
QMDFFREP:UNIT B au
QMDFFREP:SCALE 1 0.0
QMDFFREP:SCALE 2 0.0
QMDFFREP:SCALE 3 0.5
QMDFFREP:SCALE 4 0.5
QMDFFREP:CPARS H H 5.5225000000e+00 6.34212100945e+00
QMDFFREP:CPARS H O 1.3395000000e+01 5.00924416592e+00
QMDFFREP:CPARS O O 3.2490000000e+01 4.08560961303e+00
