# Saddle/wB97XD/def2svpp -1 1 C -2.907625428901 -2.810984087684 10.960418401636 H -1.971001064596 -3.395508341089 10.910754437326 H -3.145905871974 -2.624471572683 12.024267137571 H -2.739914322879 -1.834832695200 10.468596509930 C -4.049028339189 -3.551434572731 10.269040312860 H -4.950697458532 -2.911093108422 10.264728045834 H -4.312724006989 -4.474251998630 10.825034720455 C -3.730218560729 -3.958724263106 8.832591288997 H -4.595242899570 -4.501184213520 8.402708545550 H -2.850627968859 -4.624532867887 8.809996972196 C -2.198748237977 -2.629362291790 7.564918354373 C -0.879284030509 -1.206985191521 5.972579125368 H -0.023163678877 -1.761191172629 6.400040860911 H -0.585995526013 -0.134312554265 5.959532505084 C -1.088861701038 -1.680372908909 4.526646136441 H -1.927761692012 -1.115174232929 4.075720283496 H -1.417972169147 -2.735028933037 4.552948388519 C 0.150995968023 -1.581689902062 3.629241880340 H -0.104966595132 -1.947501207539 2.614243599737 H 0.925355787383 -2.270132002805 4.018228939642 C 0.769012191436 -0.183560655312 3.504172163212 H 1.635803546314 -0.239409635040 2.817962257479 H 1.174749017593 0.128596730215 4.483164405415 C -0.201003307171 0.884330831966 3.002279452558 H -1.017154136117 1.055095154089 3.725132808393 H 0.312073597702 1.849999205548 2.844553631341 H -0.661838180553 0.584616104580 2.042448347641 O -1.303851419021 -3.427978604137 7.845113640807 C -2.067839837596 -1.396354961834 6.874086863966 H -3.012381348258 -0.937968367802 6.559978559062 O -3.489279319945 -2.845664824090 8.012491250315 C 0.145646173143 1.605923579886 10.377293326862 H -0.800204203181 2.100993355081 10.096517873950 H 0.912488720330 1.892942288572 9.632905320054 H 0.459866345640 2.008400333384 11.358351800884 C -0.039648876758 0.089623103257 10.424102585197 H 0.890822947674 -0.384649829363 10.792014590431 H -0.833509972706 -0.154550163494 11.151664593995 C -0.422944292393 -0.531761375192 9.077403527326 H -0.480638553466 -1.629207341391 9.186491487205 H 0.364917951822 -0.328124977951 8.328211230535 C -1.768639396897 0.004826863395 8.572174619746 O -2.748186305143 0.043350019041 9.327975550552 H -1.663235325486 0.788688602829 7.773646517569 Options END MinFC=-1 DownDC=999 MaxIRCSTEP=30 Saddle+IRC SaddleFC=99999 Gauproc=20 GauMem=4000 MaxStepSize=0.3 DownFC=9999999 Opt=Cartesian