%chk=\\icnas2.cc.ic.ac.uk\kl1111\downloads\Year 3\Labs\Computational\Physical\Diels-Alder\3\iii_endo_am1_opt+freq.chk
# opt=noeigen freq am1 geom=connectivity integral=grid=ultrafine

Title Card Required

0 1
 C                  0.34716895   -0.94564559    0.21021883
 C                  1.68496318   -0.28328881   -0.10755038
 C                 -0.02374988    1.49393675    0.58429109
 C                 -0.66887714    0.11128149    0.62243950
 H                 -0.01673860   -1.50286689   -0.69037869
 H                 -1.55054774    0.09151463   -0.06767478
 C                  1.48849812    0.71741225   -1.24306400
 H                  2.46898144    1.19850590   -1.49045437
 C                  0.47166953    1.77398378   -0.83187201
 H                  0.93410986    2.79310433   -0.87094026
 H                 -0.77178872    2.27198909    0.88720052
 H                  2.43299939   -1.06134631   -0.41042401
 C                  1.16459132    1.51618939    1.54174690
 H                  1.63552410    2.53209416    1.52867866
 H                  0.80672008    1.32501424    2.58547558
 C                  2.18054489    0.45873062    1.13065566
 H                  3.16900359    0.93610031    0.90912709
 H                  2.33933756   -0.27134876    1.96478191
 C                  1.00648585   -0.02445705   -2.50357744
 C                 -0.72300761    1.77091554   -1.80364209
 O                 -0.38433629    0.57793691   -2.76840497
 O                  1.76548271   -0.84112323   -3.08714464
 O                 -1.66775593    2.58762737   -1.64871317

 1 2 1.0 4 2.0 5 1.0
 2 7 1.0 12 1.0 16 1.0
 3 4 1.0 9 1.0 11 1.0 13 1.0
 4 6 1.0
 5
 6
 7 8 1.0 9 1.0 19 1.0
 8
 9 10 1.0 20 1.0
 10
 11
 12
 13 14 1.0 15 1.0 16 1.0
 14
 15
 16 17 1.0 18 1.0
 17
 18
 19 22 2.0
 20 23 2.0
 21
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 23

