# Saddle/wB97XD/def2svpp 0 1 C 5.920078796621 -0.138663025401 -0.365852141214 H 7.817917385816 -1.085484378773 -0.093593265836 C 7.228345652160 -0.389502919345 -0.698569605217 C 5.702403822483 1.367233448812 -2.305471946289 C 5.176265939934 0.776875366609 -1.168750684972 C 3.579215714757 1.672833197541 -3.512854753127 C 4.794824724056 2.215666479008 -3.130387636865 C 2.897567643626 3.708201949687 -4.602026177202 C 2.595304552906 2.421593261377 -4.225101301551 H 2.163366754067 4.297877359218 -5.160105291812 O 3.274211752287 0.399019791728 -3.153388434693 O 3.882396122476 1.021249954375 -0.825579348993 P 2.701014798307 0.150955914098 -1.607791954616 O 1.408633036760 0.850195586142 -1.387542702863 O 2.914953418370 -1.317091891849 -1.362590542395 H 0.122452413022 -3.924479470549 1.570380970573 H -0.562193046847 -3.298544747399 -4.119650058941 C -0.623742686183 -3.432909515758 -3.036507848140 C -0.766259974521 -3.794068025174 -0.263882523199 C 0.442008991001 -3.036616583668 -2.229290403321 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-2.473959893972 H -1.718918870088 -1.204826324052 -1.783813867197 H -0.433544327607 0.064208781901 -1.498944293213 H -2.187311441522 0.482366884443 -1.295274899853 C 5.193559706262 -0.883477081890 0.695530558589 C 5.078768915361 -2.275429329459 0.589123599259 C 4.223302368629 -2.985479126303 1.421103584546 C 3.508612843596 -2.285708926577 2.387376523305 C 3.653376452865 -0.912365495648 2.566735826679 C 4.493284641368 -0.215245581823 1.708638118440 H 5.598914783545 -2.794636112913 -0.219136279460 H 4.066187691187 -4.056985978632 1.297030673459 N 2.528148037189 -2.998744031010 3.200656957730 H 3.081252087628 -0.401931856139 3.342083633091 H 4.570739706679 0.870400269896 1.793754252857 C 0.125239293361 2.533938877786 -3.939838208303 C -1.133793696977 1.949067710388 -3.931378272992 C -1.265360986605 0.644208962599 -4.398618284022 C -0.183184433057 -0.063069260887 -4.918010584086 C 1.067591506109 0.538138419877 -4.920983780126 H 0.258089013986 3.531597934566 -3.514684749466 H -2.001052984349 2.476195826536 -3.532934425483 N -2.558992863337 -0.025644003623 -4.278849926964 H -0.325269202043 -1.078427999109 -5.288262192934 H 1.929565363214 -0.018934214423 -5.290797574783 O 2.090525238120 -2.445791950972 4.188542982065 O 2.185994278637 -4.109195503817 2.837353729287 O -2.664669788958 -1.154355492117 -4.709358339819 O -3.462316790148 0.573488200747 -3.721618455692 C 7.825884249684 0.200008993802 -1.844589040916 C 7.049868545233 1.053640863154 -2.683512041285 C 9.169847155460 -0.096972855927 -2.202010333927 C 9.720439401925 0.399270412283 -3.357798220913 H 9.756394718577 -0.742831568682 -1.541204549584 H 10.753769254497 0.160138029290 -3.624266308522 C 7.639716767531 1.521056773371 -3.891755743610 C 8.937351310209 1.206106917756 -4.217365105961 H 7.045684333476 2.133587434153 -4.572888938064 H 9.365827081009 1.576954929346 -5.152879934037 C 5.076436846827 3.579973685582 -3.468284408541 C 4.132541036639 4.312259886407 -4.247763354766 C 6.245977171874 4.257591262399 -3.021857597882 C 6.488284670183 5.563432031568 -3.374949655703 H 6.955973184870 3.729018991157 -2.382622731139 H 7.393896850596 6.061649106532 -3.017328793055 C 4.418362920766 5.658021875524 -4.608618970765 C 5.572935721117 6.271724059713 -4.190135597533 H 3.690877671278 6.202299659700 -5.218909682044 H 5.780050666566 7.308406455771 -4.470042485923 C -0.550419735289 -1.314026893103 2.666016194124 H -0.342254836021 -1.781755783639 3.641488136100 H 0.231208587606 -1.611205792970 1.947470046758 H -0.481570576604 -0.218959549072 2.794594093104 C -3.056065478367 -1.417513769146 3.151464076500 H -3.203094234238 -0.325943222888 3.253862610421 H -4.011154025183 -1.867673806081 2.835503422753 H -2.807709909164 -1.818575220677 4.146306488190 Options END MinFC=-1 DownDC=999 MaxIRCSTEP=30 Saddle+IRC SaddleFC=99999 Gauproc=20 GauMem=4000 MaxStepSize=0.3 DownFC=9999999 Opt=Cartesian