%nprocshared=1 %chk=\\icnas2.cc.ic.ac.uk\fp1615\Desktop\TRANSITION STATES LAB 3RD YEAR\ex1\fp1615_ex2_finalfinal_ircPM6_reversedorder_3.chk # irc=(maxpoints=300,recorrect=never,calcall,phase=(7,9)) pm6 geom=connectivity integral=grid=ultrafine Title Card Required 0 1 C -2.04334364 -0.04643963 0.00000000 C -1.65315864 -0.69930263 -1.16143800 C -1.65310864 2.01404737 -1.16185900 C -2.04332464 1.36150137 -0.00015800 H -2.50516564 -0.59174363 0.81780600 H -2.50514864 1.90703337 0.81748300 C -3.26612164 -0.04234563 -2.40846900 H -2.93867964 -0.75705563 -3.13907400 C -3.26607464 1.35698837 -2.40845400 H -2.93888764 2.07164137 -3.13925400 H -1.80757564 3.08739137 -1.26419100 H -1.80777364 -1.77264763 -1.26348300 C -0.56255164 1.42849437 -2.02685500 H -0.62489464 1.81414437 -3.06123200 H 0.41096536 1.79406237 -1.63494900 C -0.56267064 -0.11407163 -2.02673900 H -0.62534264 -0.49984863 -3.06105400 H 0.41088436 -0.47975363 -1.63504500 O -4.39282564 -0.50692763 -1.69650900 O -4.39279564 1.82157137 -1.69648300 C -5.04755564 0.65732837 -1.12446600 H -4.88119064 0.65731737 -0.03928700 H -6.09312364 0.65733837 -1.45693100 1 2 1.5 4 1.5 5 1.0 2 12 1.0 16 1.0 3 4 1.5 11 1.0 13 1.0 4 6 1.0 5 6 7 8 1.0 9 1.5 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 21 1.0 20 21 1.0 21 22 1.0 23 1.0 22 23