# Saddle/wB97XD/def2svpp 0 1 C 5.478535871545 0.235408365018 -0.112830952506 H 7.429780773770 -0.502462023467 0.356044106635 C 6.824230993861 0.087657101905 -0.338924324010 C 5.257016535980 1.551477872154 -2.182848999726 C 4.714769400335 1.013555513384 -1.032467259941 C 3.239527393568 1.528693365084 -3.623300974766 C 4.349670242258 2.219837616418 -3.158692555130 C 2.757566498598 3.242511080595 -5.248035219344 C 2.447761238236 2.016534871789 -4.708108002774 H 2.165226710144 3.627426446642 -6.084041768890 O 2.922183115981 0.313706147016 -3.100259195177 O 3.386320079993 1.182529689048 -0.787606984839 P 2.317266988427 0.180487689245 -1.559262766449 O 0.973273160077 0.811458196828 -1.426640287543 O 2.591952635036 -1.244041231112 -1.164420367986 H -0.105258088382 -3.997689880031 1.668422552792 H -1.049241097820 -2.961443763670 -3.946515524009 C -1.055644970841 -3.173433354603 -2.873674740808 C -1.081781265325 -3.699066329438 -0.127632678641 C 0.078031250611 -2.917243776112 -2.108421015308 C 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-0.206291888338 -8.271609972751 N -1.644039928122 -1.312977570197 -6.957604956789 H -1.487278203280 -0.500212732844 -4.421959125837 H 0.281848329937 0.940206343158 -3.422273951863 O 1.437373163398 -2.184334722195 4.175858047542 O 1.899090610541 -3.920573845206 3.002694729129 O -2.411281181394 -1.853990317153 -6.186427139161 O -1.665730621185 -1.455083218329 -8.160339084802 C 7.444626263822 0.642701448252 -1.489641675054 C 6.653061936843 1.339981057791 -2.449914716790 C 8.833157120845 0.452675615462 -1.730047107880 C 9.417413812537 0.901093624966 -2.888582602366 H 9.427560450804 -0.072719572060 -0.976117751567 H 10.485346247530 0.745542214983 -3.065188738306 C 7.283386606808 1.756952979136 -3.656262871712 C 8.625258852748 1.546690552395 -3.867154362256 H 6.688515040043 2.245040244565 -4.429811821811 H 9.082705236314 1.876070196458 -4.804394972705 C 4.596615196493 3.542897611067 -3.653155607973 C 3.797564673322 4.049179443750 -4.717472844401 C 5.597270410963 4.390692846135 -3.100701496931 C 5.810372959150 5.653336184840 -3.599656106146 H 6.194877124562 4.030321653317 -2.260408254941 H 6.580547476685 6.289215978421 -3.153854675306 C 4.049215202754 5.354919634106 -5.221068402843 C 5.036393796019 6.141218559803 -4.680076015688 H 3.432304042255 5.726791135831 -6.045025234848 H 5.218514327188 7.145908425578 -5.071696530947 C -2.014257166839 -1.991020072108 4.307125411044 H -2.187436866853 -1.001969759451 4.773596230959 H -2.442016764873 -2.752661115935 4.979271377121 H -0.926588239140 -2.150005449443 4.253435006877 C -4.186427367472 -2.110325138341 2.956355679518 H -4.618250194542 -1.167709717743 3.345179567818 H -4.604990920606 -2.280189751758 1.950681325125 H -4.534931948800 -2.918381813217 3.621708706008 Options END MinFC=-1 DownDC=999 MaxIRCSTEP=30 Saddle+IRC SaddleFC=99999 Gauproc=20 GauMem=4000 MaxStepSize=0.3 DownFC=9999999 Opt=Cartesian