PM3 Precise Force thermo rot=1
malonaldehyde 
                                                                                
  C    0.000000  0    0.000000  0    0.000000  0    0   0   0
  O    1.222748  1    0.000000  0    0.000000  0    1   0   0
  C    1.477585  1  125.657990  1    0.000000  0    1   2   0
  C    1.348053  1  121.926636  1    0.000000  1    3   1   2
  O    1.359070  1  126.221008  1    0.000000  1    4   3   1
  H    1.113174  1  120.550537  1    0.000000  1    5   4   3
  H    1.103271  1  118.599182  1  180.000000  1    3   1   2
  H    1.104675  1  118.600922  1  180.000366  1    4   3   1
  H    0.969788  1  109.860031  1  180.000000  1    1   3   4