%chk=\\icnas3.cc.ic.ac.uk\xl6813\Desktop\exercise 1\opt_mp6_butadiene.chk
# opt pm6 geom=connectivity integral=grid=ultrafine

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0 1
 C                 -0.81464701   -1.37085280    0.00002763
 C                  0.56661815    1.17360924   -0.00156583
 C                 -0.78811459    1.13802524   -0.00141033
 C                 -1.52283010   -0.21541201   -0.00056279
 H                 -1.32513117   -2.31122803    0.00061391
 H                  1.07710231    2.11398447   -0.00215549
 H                 -1.34726151    2.05030508   -0.00187542
 H                 -2.59246117   -0.24350741   -0.00043947
 H                  1.12576507    0.26132940   -0.00109860
 H                  0.25498406   -1.34275740   -0.00009299

 1 4 2.0 5 1.0 10 1.0
 2 3 2.0 6 1.0 9 1.0
 3 4 1.0 7 1.0
 4 8 1.0
 5
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 10