# Saddle/wB97XD/def2svpp 0 1 C 4.299693401912 1.217741404044 0.425213475411 H 6.287308231334 0.789748572893 -0.241751570787 C 5.472330457207 1.519991132594 -0.228473464083 C 3.410668451057 3.444062904131 -0.172874145855 C 3.274272173797 2.213327266566 0.448809620894 C 1.015178722733 4.009360871451 -0.432797511825 C 2.285632823714 4.419449535735 -0.072290728199 C 0.042322551776 6.136374485883 0.125954437229 C -0.127828040077 4.853869341789 -0.331948763238 H -0.821092896216 6.804108705926 0.206095056215 O 0.815164778396 2.731917430863 -0.865367342666 O 2.121616724036 1.935742113984 1.110618603037 P 0.744783085595 1.541308510007 0.278070196450 O -0.379775851873 1.759933006188 1.247318248177 O 0.907776208222 0.249381302353 -0.463704816836 H 0.736369587554 -1.432828815100 0.299735862537 H -2.289969099321 -3.280726505922 4.914153949427 C -1.713560689980 -3.122877777433 3.998795824228 C -0.247729600916 -2.702174187225 1.636101072869 C -1.187640161115 -1.864491135292 3.713057588738 C 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H -4.350329358857 3.327094750485 0.911636131870 N -5.007693958095 2.081278227933 -1.356916694714 H -3.128259147621 2.643616915315 -3.154993441950 H -0.976233233270 3.833949985787 -2.710488259186 O 2.771622535737 -4.842472664014 1.408786987169 O 2.470263879416 -4.142698933681 3.416460605401 O -5.642208447612 1.731852638819 -0.379647253079 O -5.262180873737 1.739658610364 -2.492234313965 C 5.652791758701 2.747699453894 -0.916844896516 C 4.602513132576 3.711064264310 -0.923039262660 C 6.851188559420 3.016119971892 -1.634566194589 C 6.996858233781 4.173992680997 -2.357805647476 H 7.654728416852 2.273454918914 -1.608490179398 H 7.920856776760 4.367760676848 -2.909723823565 C 4.774091361074 4.887306634291 -1.705812016667 H 3.962689693427 5.616211670252 -1.757557105142 C 5.937585576291 5.112220274333 -2.401841930352 H 6.043778118943 6.022227332230 -2.999209556745 C 2.448578287241 5.741513409933 0.463801020124 C 1.319042471376 6.609971632145 0.531271811562 C 3.688083230173 6.214601306750 0.979249222281 C 3.808716474303 7.487796130050 1.482632743798 H 4.553304951938 5.549092664132 0.982030066989 H 4.772085301981 7.825006765143 1.875514357447 C 1.478646124680 7.926140565703 1.045250360542 C 2.696481988008 8.362425073187 1.505245031076 H 0.604997333549 8.584445597852 1.078334383685 H 2.806114908480 9.375330348672 1.902603742020 C -0.581609715002 -4.275720345730 -3.057157826659 H 0.290757004298 -3.910012539138 -3.620444262444 H -0.324524059198 -5.256559471109 -2.626202496844 H -1.404921301936 -4.436348572305 -3.779161896218 C -1.000361260031 -1.814891981730 -2.405500156054 H -1.972444603021 -1.519195509783 -2.843961170212 H -0.778444742071 -1.134005304912 -1.566923447313 H -0.232414558181 -1.633623490461 -3.173170000929 Options END MinFC=-1 DownDC=999 MaxIRCSTEP=30 Saddle+IRC SaddleFC=99999 Gauproc=20 GauMem=4000 MaxStepSize=0.3 DownFC=9999999 Opt=Cartesian