glycoaldehyde (H2O)_2    C2H4O2 + 2 x H2O = C2 H8 O4
c
c  parent species
c
  1  -2
  3  -1
 3146.681950       0.001273
 1986.497450       0.000781
 1425.148725       0.000689
96.042258
c
c  O(1)
c
 3061.281550      0.001450
 1940.987250      0.001110
 1390.720600      0.001562
2.0042464
c
c  O(2)
c
 3100.275450        0.002797
 1915.817100        0.001733
 1382.115550        0.002183
2.0042464
end


H2O = 2 * 1.00782503207 + 15.9949146221 = 18.0105646