%chk=\\icnas1.cc.ic.ac.uk\nu414\Desktop\TranStates Lab\task 1\ethylene JMol.chk
# opt freq b3lyp/6-31g(d,p) geom=connectivity gfprint
integral=grid=ultrafine pop=full

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0 1
 C                  0.66365800    0.00000000    0.00000300
 C                 -0.66365800    0.00000000   -0.00000300
 H                  1.26054500    0.90214600    0.00002400
 H                  1.26054500   -0.90214600   -0.00001200
 H                 -1.26054500   -0.90214600   -0.00002400
 H                 -1.26054500    0.90214600    0.00001200

 1 2 2.0 3 1.0 4 1.0
 2 5 1.0 6 1.0
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