pm3 force thermo rot=2
nitrobenzene
                                                                                
  C    0.000000  0    0.000000  0    0.000000  0    0   0   0
  C    1.399216  1    0.000000  0    0.000000  0    1   0   0
  C    1.392822  1  120.337219  1    0.000000  0    2   1   0
  C    1.406128  1  119.707748  1    0.000000  1    3   2   1
  C    1.438309  1  119.936798  1    0.000000  1    4   3   2
  C    1.438065  1  120.882751  1    0.000000  1    1   2   3
  N    1.470047  1  120.118652  1  180.000000  1    6   1   2
  O    1.143738  1  121.393326  1  180.000000  1    7   6   1
  O    1.458313  1  120.879257  1    0.000000  1    7   6   1
  H    1.101624  1  118.847473  1  180.000000  1    1   2   3
  H    1.102295  1  119.896591  1  180.000000  1    2   1   6
  H    1.101929  1  120.227066  1  180.000000  1    3   2   1
  H    1.101852  1  120.078430  1  180.000000  1    4   3   2
  H    1.101608  1  118.607925  1  180.000000  1    5   4   3