pm3 excited
excited state(S1) optimization of anthraquinone
                                                                                
  C    0.000000  0    0.000000  0    0.000000  0    0   0   0
  C    1.399963  1    0.000000  0    0.000000  0    1   0   0
  C    1.392242  1  119.971771  1    0.000000  0    2   1   0
  C    1.399796  1  119.891342  1    0.000000  1    3   2   1
  C    1.399338  1  120.531311  1    0.000000  1    4   3   2
  C    1.399597  1  120.473602  1    0.000000  1    1   2   3
  C    1.484711  1  119.256622  1  180.000000  1    6   1   2
  C    1.484863  1  117.613007  1  180.000000  1    7   6   1
  C    1.408081  1  121.174759  1    0.000000  1    8   7   6
  C    1.484787  1  119.204178  1  180.000000  1    5   4   3
  C    1.399490  1  119.246140  1  180.000000  1    8   7   6
  C    1.400055  1  120.461365  1  180.000000  1   11   8   7
  C    1.392288  1  119.982269  1    0.000000  1   12  11   8
  C    1.399475  1  119.564362  1  180.000000  1    9   8   7
  O    1.228683  1  121.197495  1    0.000000  1   10   5   4
  O    1.228897  1  121.197495  1  360.000000  1    7   6   1
  H    1.102005  1  118.466293  1  180.000000  1    1   2   3
  H    1.102325  1  120.066193  1  180.000000  1    2   1   6
  H    1.102432  1  120.004990  1  180.000000  1    3   2   1
  H    1.101486  1  118.422577  1  180.000000  1    4   3   2
  H    1.102295  1  121.064606  1    0.000000  1   11   8   7
  H    1.101898  1  120.052200  1  180.000000  1   12  11   8
  H    1.102386  1  120.008500  1  180.000000  1   13  12  11
  H    1.101807  1  121.041870  1  180.000000  1   14   9   8