%nprocshared=1
%chk=\\icnas2.cc.ic.ac.uk\fp1615\Desktop\TRANSITION STATES LAB 3RD YEAR\ex3\fp1615_ex3_da2_exo_ircPM6.chk
# irc=(maxpoints=300,calcall,phase=(13,11)) pm6 geom=connectivity
integral=grid=ultrafine

Title Card Required

0 1
 C                 -1.71171181    0.34534534    0.00000000
 C                 -1.76544281    1.72553234   -0.12895700
 C                 -0.59084581    0.23693434   -2.12166100
 C                 -1.09980381   -0.42741366   -1.00824900
 H                 -2.24165381   -0.15581066    0.81057200
 H                 -1.16315881   -1.50975066   -0.98508300
 C                 -0.71969481    2.42910534   -0.90358100
 C                 -0.07534081    1.62478634   -1.97548500
 H                 -0.29847081   -0.31239166   -3.01865100
 H                 -2.31645181    2.32702634    0.59467900
 O                 -2.28956081    0.81245434   -2.80049500
 O                 -3.37927481    3.13841234   -2.21790200
 S                 -3.11515481    1.75035334   -2.02326700
 C                 -0.38006681    3.69721034   -0.62816000
 C                  0.91064719    2.07502434   -2.76330300
 H                  1.33016819    3.06870334   -2.68343400
 H                  1.36703519    1.48409934   -3.54449600
 H                  0.38252819    4.24269234   -1.16335600
 H                 -0.85034381    4.28155934    0.14892100

 1 2 1.5 4 1.5 5 1.0
 2 7 1.0 10 1.0
 3 4 1.5 8 1.0 9 1.0
 4 6 1.0
 5
 6
 7 8 1.0 14 2.0
 8 15 2.0
 9
 10
 11 13 2.0
 12 13 2.0
 13
 14 18 1.0 19 1.0
 15 16 1.0 17 1.0
 16
 17
 18
 19