# Saddle/wB97XD/def2svpp 0 1 C 5.039374784919 -0.982016977427 0.663368776065 H 7.023937318402 -1.769393157689 0.558000296445 C 6.364808576604 -0.933364793521 0.304544691600 C 4.677089289639 1.233895308227 -0.347241653794 C 4.208557890770 0.125624302550 0.333051771697 C 2.577853443568 1.976395487329 -1.411316019612 C 3.717290714559 2.316332127504 -0.705030996924 C 1.850827142869 4.260730251520 -1.536365376914 C 1.624023714715 2.940272593574 -1.848430743026 H 1.147200176470 5.025698252995 -1.878866451396 O 2.340893016401 0.666156158454 -1.701400456976 O 2.884834821604 0.055911510977 0.670426202946 P 1.810854000125 -0.346694132329 -0.512678201055 O 0.446946727644 -0.005274976299 -0.025656149002 O 2.111816548609 -1.732880581801 -1.039099060653 H 0.699736161094 -2.466802057700 -1.826599718486 H 0.535537528276 -1.447604421395 -7.592229847097 C 0.407233506460 -1.728596412170 -6.543330763272 C 0.103952856779 -2.413972762157 -3.829237895410 C 1.481681565215 -1.643052771064 -5.667004300851 C -0.827480510917 -2.173902063462 -6.074726568588 C -0.962270085834 -2.508158756153 -4.732287633647 C 1.370625787199 -1.989438280541 -4.311312975607 H 2.467553162224 -1.315751840719 -6.006595536390 H -1.693135078352 -2.238184442159 -6.737120157757 H -1.938117846874 -2.835370716677 -4.376631981674 N -0.051985183824 -2.767584989241 -2.467068830130 C -1.059271216760 -3.490923391311 -1.944208536355 H -1.639289052194 -4.060399736124 -2.676326999634 C -0.812137752512 -4.213471241169 -0.671763226629 C -0.381259562018 -5.656848909578 1.696697235499 C -1.311405112678 -5.515302701757 -0.528122824394 C -0.108428483231 -3.633057117008 0.392593874715 C 0.090582447022 -4.349297247520 1.569179552978 C -1.085866628750 -6.238050584332 0.642097554579 H -1.869585208686 -5.974335801773 -1.349922589385 H 0.265504817349 -2.611258970238 0.315932519110 H 0.618640487357 -3.876178937900 2.399881933476 H -1.459985461415 -7.261982190046 0.728544430463 H -0.190458233978 -6.216277396297 2.617141776821 O 2.499394634920 -1.937523673486 -3.600743289434 H 2.398116731401 -1.903834705958 -2.612267985537 C 0.408635481938 2.510139779839 -2.585690772972 C -2.775600679733 -2.240617960563 -1.581630420089 C -2.928639428947 -2.447916115434 -0.195961020925 O -2.337390610178 -1.761499805235 0.713374119864 Si -2.320120257373 -0.363512800769 1.753931904332 C -3.922199390095 -0.485968996318 2.728153537579 C -2.300231694980 1.202761014463 0.751319230995 C -0.830961395098 -0.646438409645 2.828779468958 O -3.638650706999 -3.487786911296 0.184320274410 C -3.643950218042 -3.902017438505 1.543862923953 H -4.800142613641 -0.582312113082 2.063807328683 H -4.062855740533 0.435525196059 3.322650331315 H -3.920387914014 -1.335505878863 3.432818973855 H -3.188567454766 1.293497194636 0.102755216365 H -1.383680802135 1.239283316154 0.139566314950 H -2.296809204028 2.064714833685 1.444827862731 H -0.795192253058 0.101497453812 3.641353019787 H -0.856620483671 -1.651423999914 3.285611973160 H 0.078900691473 -0.542759267023 2.214527480620 H -4.061720386922 -4.917099465934 1.540761532341 H -4.285728075074 -3.235688476116 2.141262667704 H -2.621952155459 -3.919083579932 1.951993102005 C 4.455841851858 -2.173257319149 1.331694262858 C 4.558729513439 -3.430907639657 0.725270009923 C 4.002727358821 -4.558117183763 1.320747036116 C 3.338942659146 -4.410887347773 2.533023849309 C 3.225268175641 -3.175227991613 3.166034195704 C 3.783342282653 -2.059291567612 2.556966588484 H 5.048980506612 -3.518317217097 -0.247379715827 H 4.055154458957 -5.539193484131 0.847802011523 N 2.695345359895 -5.582871385048 3.138828678808 H 2.697331554543 -3.099905101968 4.117401468950 H 3.692111374052 -1.080971796619 3.033802238771 C -0.845301777937 3.004044317461 -2.200577101141 C -2.004214897542 2.598919043374 -2.851456720998 C -1.897671570898 1.691398784373 -3.899150783273 C -0.667677854921 1.195689686767 -4.322604632374 C 0.481206893271 1.607824403709 -3.659336032010 H -0.917775366444 3.687412575472 -1.350526268186 H -2.986904738425 2.953638391130 -2.539624025732 N -3.128159919044 1.187388434791 -4.523128089355 H -0.617579355195 0.473670165012 -5.140497082381 H 1.446324816300 1.204818541382 -3.971546759602 O 1.978302527017 -5.395603908825 4.103251488998 O 2.894239751913 -6.664949671242 2.633992721658 O -3.018479173759 0.385486557493 -5.426315861166 O -4.187409462880 1.584566208467 -4.083312055504 C 6.899919038271 0.168969275646 -0.411745071324 C 6.048411743073 1.254446965266 -0.769884295852 C 8.264101286377 0.187316504090 -0.812779077285 C 8.764249303433 1.221332698198 -1.564541795939 H 8.907467692550 -0.648017493955 -0.519893016653 H 9.813586496481 1.223123157903 -1.872200352221 C 6.590952347548 2.294523170556 -1.575903977474 C 7.910554355882 2.278848753347 -1.959433304082 H 5.944415395428 3.111284137236 -1.901956413770 H 8.302255127270 3.088033069002 -2.582191705678 C 3.907851709842 3.684063933141 -0.321575079686 C 2.972480656491 4.663343246452 -0.765520889607 C 4.977817638899 4.105020478704 0.516674267472 C 5.130540290554 5.427272097933 0.858678051903 H 5.680854653662 3.361358538687 0.897811468133 H 5.958383566947 5.726690815648 1.507605195756 C 3.165594457793 6.025981754594 -0.406658598937 C 4.222628684946 6.404178548234 0.383683799328 H 2.447246187446 6.769462286320 -0.765627293648 H 4.359081477649 7.454101904215 0.657302511169 C -3.851047334735 -2.877799277947 -2.443244982019 H -3.907024856709 -3.970799932857 -2.305225564388 H -4.849381970406 -2.468890949059 -2.202116290016 H -3.673322249703 -2.664360397268 -3.508481793696 C -2.275744689927 -0.880444460811 -1.995906455582 H -3.050682629456 -0.105606725434 -1.844821025153 H -1.369864200042 -0.580885978007 -1.442282752118 H -2.027663011988 -0.885251936124 -3.065433152754 Options END MinFC=-1 DownDC=999 MaxIRCSTEP=30 Saddle+IRC SaddleFC=99999 Gauproc=20 GauMem=4000 MaxStepSize=0.3 DownFC=9999999 Opt=Cartesian