# Saddle/wB97XD/def2svpp -1 1 C -2.591460880565 -4.080487557520 9.494044477270 H -2.201649288728 -4.839136832096 8.794762089124 H -2.817518868597 -4.567262976884 10.460569031010 H -1.779600678741 -3.353850714629 9.657705208419 C -3.829483674133 -3.394708138198 8.923596619008 H -4.186086436692 -2.620833916709 9.629614248202 H -4.651448249307 -4.130925695968 8.819851111484 C -3.611111120514 -2.745344478226 7.557277978543 H -4.575423588363 -2.345553856769 7.189121051515 H -3.238599587549 -3.496788172104 6.840010249877 C -1.405336012655 -1.882106270751 7.160842398975 C 0.730130245267 -0.626847308464 6.625950753828 H 1.088575171833 -1.645284138608 6.382906987605 H 1.454536454044 -0.217395134200 7.360198290335 C 0.781324299143 0.249567553095 5.358139774133 H 1.805648898665 0.656458834214 5.239676811430 H 0.121753969197 1.128205497753 5.503896040248 C 0.414070504509 -0.438674000937 4.038562376358 H 1.157551560007 -1.235670507765 3.835054308161 H 0.523914822291 0.296969308543 3.214139689583 C -0.983492135074 -1.054284898153 3.970576851104 H -1.731044088067 -0.307618619060 4.297867866237 H -1.048147386239 -1.888526627094 4.688289917870 C -1.336067539679 -1.559708135075 2.572845799490 H -2.340298495521 -2.020022590007 2.551558907240 H -1.323608242665 -0.741294284253 1.827333529859 H -0.612668805606 -2.325306566973 2.234993124405 O -1.088103745251 -3.008082731645 6.770749069249 C -0.604087515606 -0.735206297999 7.304555569223 H -1.148757795276 0.201151485720 7.475068341872 O -2.718759079340 -1.667030071698 7.609081624876 C -2.201465530720 1.477106681269 11.225281654268 H -3.170546498089 1.232806342465 10.752328471733 H -2.153889932772 2.575255599403 11.346732263674 H -2.206501136020 1.028662310745 12.236787935176 C -1.035642195189 0.950087191931 10.392224931394 H -1.039541891037 1.433698935242 9.399068446425 H -0.071935474453 1.223220494439 10.854965022391 C -1.069258500668 -0.560140010657 10.197415802541 H -1.993111947528 -0.874362594807 9.684202835952 H -1.068306632160 -1.053625281295 11.194871181990 C 0.153376112650 -1.091229396028 9.448455494861 O 1.245497226632 -0.527647506447 9.535568782352 H 0.108211908130 -2.188847603629 9.235629930895 Options END MinFC=-1 DownDC=999 MaxIRCSTEP=30 Saddle+IRC SaddleFC=99999 Gauproc=20 GauMem=4000 MaxStepSize=0.3 DownFC=9999999 Opt=Cartesian