%chk=\\ic.ac.uk\homes\ptf11\Desktop\3RDYEARCOMPUPHYSICAL\TUTORIAL\anti2\PTFANTI2HIGHFREQ.chk
# freq b3lyp/6-31g(d) geom=connectivity int=ultrafine Freq=readIsotopes

ptfantihexopt

0 1
 C                 -1.88120400    0.44524600   -0.14873100
 C                 -2.99842100   -0.22518500    0.13509700
 H                 -1.89629600    1.53652600   -0.11607400
 H                 -3.03207500   -1.31303100    0.11706600
 H                 -3.92370800    0.28395100    0.39172500
 C                 -0.55951400   -0.17885500   -0.50415100
 C                  0.55951400    0.17885500    0.50415100
 H                 -0.24418800    0.16014700   -1.50165000
 H                 -0.66816200   -1.26987600   -0.56231900
 H                  0.66816200    1.26987600    0.56231900
 H                  0.24418800   -0.16014700    1.50165000
 C                  1.88120400   -0.44524600    0.14873100
 C                  2.99842100    0.22518500   -0.13509700
 H                  1.89629600   -1.53652600    0.11607400
 H                  3.92370800   -0.28395100   -0.39172500
 H                  3.03207500    1.31303100   -0.11706600

 1 2 2.0 3 1.0 6 1.0
 2 4 1.0 5 1.0
 3
 4
 5
 6 7 1.0 8 1.0 9 1.0
 7 10 1.0 11 1.0 12 1.0
 8
 9
 10
 11
 12 13 2.0 14 1.0
 13 15 1.0 16 1.0
 14
 15
 16

0.0001 1