# Saddle/wB97XD/def2svpp 0 1 C 6.042115451242 -0.253841611754 -0.429703579676 H 7.925529875010 -1.235828519047 -0.181750963986 C 7.339637525948 -0.532469322654 -0.781808267670 C 5.820140619487 1.239022283190 -2.379541178758 C 5.302464868672 0.671362475622 -1.227497515538 C 3.677527515911 1.586866195840 -3.542134827438 C 4.915479308110 2.101422298195 -3.193080161076 C 3.019029398665 3.632236953519 -4.625740147791 C 2.693585725199 2.356839785902 -4.230942396686 H 2.284486967249 4.237483377960 -5.166373271970 O 3.349566888391 0.322124622595 -3.168759798327 O 4.021152379354 0.948878453505 -0.863642873628 P 2.802952181029 0.096972372044 -1.610981565554 O 1.523631284063 0.805619583604 -1.361102752721 O 3.002889464469 -1.375165714782 -1.358525467042 H 0.092022237123 -3.868875535295 1.581331027715 H -0.435432645110 -3.351156023313 -4.142346470079 C -0.528918327620 -3.446456366865 -3.057276297984 C -0.757144824691 -3.696443674335 -0.295433954255 C 0.517627203508 -3.030333277390 -2.240325603812 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-1.826470039176 H -2.104316435555 0.407380671851 -1.242356070257 H -1.717639081793 -1.322155014371 -1.598595645195 H -0.383532780707 -0.122833184271 -1.264473044418 C 5.307279623732 -0.986146597908 0.634082501927 C 5.177138162046 -2.377359345078 0.531376239736 C 4.272629254451 -3.068293701017 1.326391283575 C 3.523391554663 -2.349931633745 2.252433762964 C 3.695769922238 -0.981032208306 2.443462439400 C 4.589558345685 -0.304141551202 1.625864893834 H 5.716750812529 -2.908374068439 -0.256312178491 H 4.097833392016 -4.136264973930 1.195061970004 N 2.462350707805 -3.026869977849 2.987415950109 H 3.095437187811 -0.455549809156 3.186502738684 H 4.684560985564 0.779624643409 1.713955409058 C 1.087757781899 0.517633793026 -4.871173504876 C -0.180278595830 -0.044326978341 -4.825405025326 C -1.222463287636 0.697007652138 -4.273328006823 C -1.034334508810 1.994823471515 -3.807403060974 C 0.241903537973 2.539044722476 -3.855371520844 H 1.919090697116 -0.064302841155 -5.271901549301 H -0.367671111871 -1.053310636558 -5.192442842398 N -2.539703880318 0.077543444704 -4.134031703624 H -1.871078660691 2.548070013684 -3.380385172163 H 0.420689621029 3.529808564443 -3.431010338531 O 1.941073852764 -2.439948653852 3.914440097562 O 2.130114102134 -4.141103618514 2.624004672499 O -3.428141960192 0.736713998086 -3.625419581789 O -2.678695154424 -1.067456327671 -4.510207465456 C 7.928597699239 0.034967385778 -1.943298815504 C 7.153911353760 0.893843395982 -2.778184329078 C 9.260233821611 -0.291308863677 -2.320914750688 C 9.799048853973 0.181064792933 -3.492162659568 H 9.846450958148 -0.940507026893 -1.663071409075 H 10.822768061394 -0.080572237647 -3.774149488197 C 7.730417792426 1.335767838337 -4.002314185161 C 9.015774422195 0.992439012671 -4.347309522572 H 7.135572518072 1.951977659404 -4.679444067254 H 9.434162057102 1.344142240371 -5.294707365945 C 5.222475213949 3.456348368326 -3.547333062057 C 4.278230766252 4.206534157346 -4.309082119602 C 6.418027016774 4.108630487984 -3.133148183951 C 6.683786934335 5.405607337732 -3.501802084023 H 7.129496575195 3.568199847951 -2.505658983657 H 7.609126735667 5.884115550972 -3.168564103305 C 4.588402214223 5.542055523262 -4.687301309122 C 5.767333208785 6.130156416005 -4.301180378703 H 3.859780095866 6.099723627283 -5.283975286747 H 5.992967392228 7.159416270214 -4.593882872680 C -1.036225918861 -1.141304593323 2.996777586521 H -0.956646326862 -1.596109831676 3.997483601714 H -0.161693898054 -1.448786382706 2.398985604058 H -0.968727728183 -0.043823118084 3.118699228593 C -3.573785262381 -1.605853390939 3.167285924683 H -3.963086067619 -0.589057730770 3.371552488341 H -4.380657922861 -2.179267392765 2.681919019997 H -3.364554041924 -2.077127893591 4.141109636804 Options END MinFC=-1 DownDC=999 MaxIRCSTEP=30 Saddle+IRC SaddleFC=99999 Gauproc=20 GauMem=4000 MaxStepSize=0.3 DownFC=9999999 Opt=Cartesian