10
Me2Si=O in benzene B3LYP-D3/6-311G(d) E/E+ZPVE/freeE(298.15K) in a.u. -444.642426 -444.565813 -444.595946 (ti593MIN11bG)
 O -0.0000525587 1.7314048918 -0.0000024594
 C -1.5438495451 -0.8501076223 -0.0135444063
 H -2.4431232569 -0.237361163 0.0574083538
 H -1.5950631468 -1.4374441461 -0.9363164314
 H -1.5341887752 -1.562419002 0.8175432526
 C 1.5439016739 -0.8500137488 0.0135065302
 H 1.595151038 -1.4373589567 0.9362710422
 H 1.5342843037 -1.5623150843 -0.8175902409
 H 2.4431380607 -0.237211606 -0.0574383795
 Si -0.0000057843 0.1955904374 -0.0000122633
12
MeOEt in benzene B3LYP-D3/6-311G(d) -194.397133 -194.290142 -194.317885 (ti593MIN12bG)
 C -1.8154908445 0.0304700047 0.0000010543
 H -2.5061160231 -0.8135777956 -0.0000195248
 H -2.0056272881 0.6460396806 -0.8915693345
 H -2.0056315997 0.6459998076 0.891598043
 O -0.5052381452 -0.498121218 -0.0000075435
 C 0.4959101487 0.5079252736 0.0000162335
 H 0.3833423955 1.1525168371 0.8865045936
 H 0.383347289 1.1525538273 -0.8864458492
 C 1.8525766279 -0.1705412195 0.0000058415
 H 1.9629638042 -0.8018549036 -0.8849006972
 H 2.6564856945 0.5703283457 0.0000234081
 H 1.9629589409 -0.8018916398 0.8848867752
22
Me2Si=O-MeOEt complex in benzene B3LYP-D3/6-311G(d) -639.075326 -638.886849 -638.925164 (ti593MIN13bG) 
 C -1.154610297 -0.1173241269 1.8341582357
 H -0.3369838894 -0.6276008982 2.3502142919
 H -1.1237739791 0.9427205261 2.1044181136
 H -2.0900889735 -0.5237068486 2.2316765448
 C -2.2156304764 0.7702402471 -0.9203830318
 H -3.2386890958 0.3823491625 -0.8864470008
 H -2.2400297453 1.7760471858 -0.4904727345
 H -1.9344845492 0.8513290977 -1.9735132843
 Si -1.0703235446 -0.4136969961 -0.0195676089
 O -0.7764357412 -1.8275004529 -0.5869322895
 O 0.6128976629 0.5460646498 -0.3758693012
 C 0.8904082771 1.8656111232 0.1314554169
 H -0.05067139 2.4087521616 0.1496641756
 H 1.3080185928 1.8116404915 1.1371298812
 H 1.5853035865 2.366051688 -0.5441111641
 C 1.782113569 -0.2493600981 -0.7734569179
 H 1.3439944448 -1.1125202587 -1.2675943967
 H 2.3329626013 0.3574241483 -1.4960262821
 C 2.6285113864 -0.6590224796 0.4149490593
 H 2.0374254721 -1.2445344799 1.12126566
 H 3.4513455055 -1.2873246177 0.0641037757
 H 3.0649265829 0.195777775 0.9366448568
22
Me2Si(OMe)(OEt) in benzene B3LYP-D3/6-311G(d) -639.130915 -638.943271 -638.983217 (ti593MIN14bG)
 C 0.2999799951 0.194558065 1.8376268112
 H -0.2222196981 -0.7245989463 2.12049266
 H 1.2786916816 0.177567863 2.3273048653
 H -0.259544961 1.035519743 2.2571514233
 C 1.327112828 1.9275445018 -0.5211059032
 H 0.8119874503 2.8080737374 -0.126878917
 H 2.3540227187 1.948900198 -0.142773631
 H 1.3693537473 2.0221277005 -1.6092616812
 Si 0.4545009522 0.3561657735 -0.0245638894
 O -1.0278259746 0.3885744273 -0.7596034127
 O 1.2347605349 -0.9915180609 -0.6229936053
 C 2.4316260289 -1.5456694178 -0.0997334
 H 3.2702068489 -0.8417574763 -0.1702923602
 H 2.3162122475 -1.8449108736 0.9489620049
 H 2.680541809 -2.4325238493 -0.6852852203
 C -2.0367978608 -0.6163033273 -0.6230257807
 H -2.4586491073 -0.7830759591 -1.6183074497
 H -1.59534619 -1.5664741657 -0.2981662974
 C -3.1218457847 -0.1687516286 0.345238569
 H -3.5523116583 0.7814675794 0.0198031972
 H -3.9239886242 -0.9114791474 0.3969956853
 H -2.7164889834 -0.0317177367 1.351076332
16
Me2Si(OH)(OMe) in benzene B3LYP-D3/6-311G(d) -560.490636 -560.360139 -560.394916 (ti593MIN15bG)
 C -0.4466605233 -1.5820263997 -0.9454455548
 H -0.1561396417 -2.4499101631 -0.3452498347
 H -1.4532820941 -1.767995717 -1.3312233952
 H 0.228736648 -1.5386966351 -1.8059163173
 C -0.9088505446 1.4784165322 -0.9532557633
 H -0.2514371542 1.6178809368 -1.8171467509
 H -1.9285230167 1.3632468065 -1.3317332157
 H -0.8743228316 2.3922452204 -0.3544711683
 Si -0.3968421344 -0.0011215039 0.0594897423
 O 1.1283999749 0.188978725 0.7071246477
 O -1.4334534181 -0.0601426973 1.3542358973
 C 2.3422829025 0.1404942493 -0.0267499452
 H 3.1692464481 0.2611799404 0.6752104206
 H 2.4664457702 -0.8178488123 -0.5453543922
 H 2.3999766889 0.947877294 -0.7670300164
 H -1.2353460738 -0.6624297764 2.0763756462
6
H2C=CH2 in benzene B3LYP-D3/6-311G(d) -78.608424 -78.557619 -78.578489 (ti593MIN16bG)
 C 0.0000118522 0.6640128568 0.
 H 0.9227617327 1.2369040351 0.
 H -0.9227175762 1.2369369757 0.
 C -0.0000118522 -0.6640128568 0.
 H -0.9227617327 -1.2369040351 0.
 H 0.9227175762 -1.2369369757 0.
22
TS[Me2Si=O-MeOEt complex:Me2Si(OMe)(OEt)] in benzene B3LYP-D3/6-311G(d) -639.018780 -638.834632 -638.872702 (ti593TS01bG)
 C -1.2484029918 0.1250322278 1.7998034135
 H -0.3361014158 0.1843986905 2.401814574
 H -1.7516376088 1.0964036276 1.8528804773
 H -1.9051150979 -0.605410302 2.2824485745
 C -2.4080963798 -0.2358022071 -1.0234463743
 H -3.1763067145 -0.9552218649 -0.7235324268
 H -2.8472751135 0.7646339079 -0.9441739874
 H -2.1758020077 -0.4188937961 -2.0762789997
 Si -0.8608773651 -0.3990462492 0.0312466802
 O 0.0559873077 -1.6849916744 -0.1632992735
 O 0.2456363367 0.8013016291 -0.5866508649
 C 0.3967982971 2.1531796039 -0.1971817615
 H -0.458332779 2.7473318491 -0.5368668384
 H 0.4952256641 2.2600888561 0.8884443054
 H 1.2963355748 2.5527642747 -0.6757545772
 C 1.9702328903 -0.4742214147 -0.7618445027
 H 1.8174186314 -1.4453260691 -1.1971654288
 H 2.1452699743 0.3268834969 -1.4660720846
 C 2.6009672942 -0.3889681598 0.5675834431
 H 2.220715943 -1.1581030745 1.2346129871
 H 3.6774878164 -0.5687142365 0.4088532829
 H 2.5055697438 0.5978798846 1.021788382
22
TS[Me2Si=O-MeOEt complex:Me2Si(OH)(OMe)+H2C=CH2] in benzene B3LYP-D3/6-311G(d) -639.033231 -638.851643 -638.889135 (ti593TS03bG)
 C -1.4863648226 -0.0698343105 1.6980581157
 H -0.6902572002 -0.1249457734 2.4470983663
 H -1.9468346878 0.9212790803 1.7655148129
 H -2.2484878556 -0.8018375922 1.983355394
 C -2.119241408 -0.1026872132 -1.3183811633
 H -2.8768967535 -0.8931143796 -1.3092785675
 H -2.6421686662 0.847097831 -1.1682006678
 H -1.6705220387 -0.0925509706 -2.3156653685
 Si -0.8165334344 -0.4524179036 -0.015202397
 O 0.0129208364 -1.801968898 -0.1726313563
 O 0.4087637041 0.8116606323 -0.2823825607
 C 0.1358741211 2.1958634273 -0.0885439984
 H -0.828360773 2.449370723 -0.5337611941
 H 0.1210173005 2.4525887575 0.9753782946
 H 0.9090947322 2.7827063981 -0.5899160349
 C 2.2757921716 0.4493661716 0.0099782445
 H 2.2825624579 0.9905651684 0.9497120748
 H 2.5226567034 1.0515215407 -0.8557795512
 C 2.5114408446 -0.9494302685 -0.0002710306
 H 2.8670034969 -1.3609547382 0.9431584504
 H 1.3706628299 -1.4642290827 -0.0951481373
 H 3.0392074416 -1.3236235995 -0.8754837254
10
Me2Si=O in benzene wB97XD/6-311G(d) -444.557627 -444.480443 -444.510690 (ti593MIN11dG)
 O -0.0000489208 1.7274386156 0.0000052317
 C -1.5331989356 -0.8484154012 -0.0110882767
 H -2.4361049774 -0.2413880781 0.06101913
 H -1.5819867539 -1.4359929839 -0.9335108727
 H -1.51812597 -1.5607729684 0.8195123401
 C 1.5332502891 -0.8483268029 0.0110489517
 H 1.5820721517 -1.4359193748 0.9334601982
 H 1.5182185807 -1.5606691987 -0.8195654241
 H 2.4361211664 -0.2412457866 -0.0610467361
 Si -0.0000046302 0.198055979 -0.0000095491
12
MeOEt in benzene wB97XD/6-311G(d) -194.325234 -194.216088 -194.243838 (ti593MIN12dG)
 C -1.8035276294 0.0323540634 0.0000002361
 H -2.5020812728 -0.8045460381 -0.0000154422
 H -1.9865072841 0.6497166008 -0.8913623122
 H -1.9865108717 0.6496860707 0.8913831863
 O -0.506388187 -0.5010241911 -0.0000062846
 C 0.4874233743 0.4975516403 0.0000176056
 H 0.3727698248 1.1415255008 0.8862679779
 H 0.3727732227 1.1415647107 -0.8862047019
 C 1.8453918681 -0.1695020413 0.0000054511
 H 1.9625212985 -0.7985187252 -0.8853910335
 H 2.6411006879 0.5796005777 0.0000258278
 H 1.9625159687 -0.7985611686 0.885372489722
Me2Si=O-MeOEt complex in benzene wB97XD/6-311G(d) -638.920133 -638.729883 -638.767631 (ti593MIN13dG)
 C -1.1034919054 -0.0948332209 1.8198310065
 H -0.250480122 -0.551604475 2.3290087488
 H -1.1330025978 0.9675504465 2.0807384451
 H -2.0068463795 -0.5524753465 2.2354465333
 C -2.2130638371 0.7550371578 -0.9085343322
 H -3.2303695446 0.3553798365 -0.8492923839
 H -2.2399467872 1.7629486075 -0.4838565075
 H -1.9567259138 0.8321071109 -1.96817439
 Si -1.0413510272 -0.4050098656 -0.0261394412
 O -0.7448858071 -1.8174327572 -0.5818004496
 O 0.6127364121 0.562608904 -0.4183348307
 C 0.8843352615 1.8559760933 0.1252410284
 H -0.0471190841 2.4167421615 0.1063587773
 H 1.2498254854 1.7761852841 1.1500072627
 H 1.6213861423 2.355809484 -0.504332757
 C 1.777990283 -0.2292385185 -0.7823622485
 H 1.3561675644 -1.079940378 -1.3116882027
 H 2.3651979119 0.3867465854 -1.467396488
 C 2.5694176696 -0.674239972 0.4264549127
 H 1.9467109631 -1.2805664887 1.0866013322
 H 3.4048060483 -1.2940851818 0.0925032661
 H 2.9848952643 0.1637515325 0.9910267183
22 
Me2Si(OMe)(OEt) in benzene wB97XD/6-311G(d) -638.977387 -638.787956 -638.827054 (ti593MIN14dG)
 C 0.2694077478 0.1626899318 1.8080442168
 H -0.2407247759 -0.7654445957 2.083924293
 H 1.2429631855 0.1617490562 2.3082814268
 H -0.3076793172 0.9949478295 2.2211958193
 C 1.3230797807 1.898579577 -0.5174097323
 H 0.8042268536 2.7754980423 -0.1204982115
 H 2.3451525591 1.9145155926 -0.126118957
 H 1.3787140428 2.0034620093 -1.6038534655
 Si 0.4463041788 0.3304693887 -0.0448161419
 O -1.021394216 0.3587957601 -0.7962455237
 O 1.2407733219 -1.0069589423 -0.6329395187
 C 2.4405042532 -1.5128822073 -0.0948017413
 H 3.2482583931 -0.7716478289 -0.1357439279
 H 2.3133843007 -1.8321469716 0.9465820415
 H 2.7427423113 -2.3790351319 -0.6855843997
 C -2.03832417 -0.6154752068 -0.6181731229
 H -2.4872740701 -0.7942223244 -1.5988916007
 H -1.6082588244 -1.5678861636 -0.2838938677
 C -3.0923832424 -0.1350201363 0.3627782338
 H -3.5161234212 0.8153877306 0.0296675161
 H -3.90329251 -0.8649075476 0.4424308721
 H -2.6660783816 0.0112511382 1.3587257915
16
Me2Si(OH)(OMe) in benzene wB97XD/6-311G(d) -560.367987 -560.236268 -560.270779 (ti593MIN15dG)
 C -0.4371229023 -1.5722231189 -0.9398211684
 H -0.1345288363 -2.4413510999 -0.3477701817
 H -1.4451380718 -1.7631682728 -1.3191345425
 H 0.2309485949 -1.5163992187 -1.8052279645
 C -0.8897383294 1.4742730608 -0.9459532894
 H -0.2208255884 1.6132233934 -1.8010006854
 H -1.9039222388 1.3574078338 -1.3380169362
 H -0.8641481275 2.3882505165 -0.3472739749
 Si -0.3928601894 -0.0009188855 0.0683492602
 O 1.1265568847 0.1840476898 0.7181368252
 O -1.4317223703 -0.0612889858 1.3529913407
 C 2.3175876104 0.1375917531 -0.0335795258
 H 3.1576537401 0.2897272989 0.6458735382
 H 2.4458205239 -0.8320854675 -0.529551289
 H 2.3460714236 0.926067685 -0.7955737363
 H -1.2544011236 -0.6730061823 2.0664123298
6
H2C=CH2 in benzene wB97XD/6-311G(d) -78.573476 -78.522265 -78.543130 (ti593MIN16dG)
 C 0.0000118299 0.6625961335 0.
 H 0.9237691607 1.2335370449 0.
 H -0.9237251134 1.2335700297 0.
 C -0.0000118299 -0.6625961335 0.
 H -0.9237691607 -1.2335370449 0.
 H 0.9237251134 -1.2335700297 0.
22
TS[Me2Si=O-MeOEt complex:Me2Si(OMe)(OEt)] in benzene wB97XD/6-311G(d) -638.855234 -638.669376 -638.707026 (ti593TS01dG)
 C -1.1979439952 0.1043607993 1.776067121
 H -0.2736412081 0.1578197698 2.3606048833
 H -1.700161062 1.0750604427 1.8476863542
 H -1.8450364755 -0.6305446448 2.2648845162
 C -2.4155507892 -0.2206640403 -1.0083264217
 H -3.1830038719 -0.9326007809 -0.6896726552
 H -2.8403801689 0.7842484001 -0.9110068406
 H -2.2154134051 -0.4008344236 -2.0680367027
 Si -0.8494521112 -0.4027095796 0.0012524567
 O 0.0652687454 -1.6756391289 -0.2266409503
 O 0.2478789091 0.7933857017 -0.6183244736
 C 0.3993252432 2.1303922047 -0.2150151543
 H -0.4479993385 2.7321584947 -0.5588940675
 H 0.4823181066 2.2241277536 0.873601308
 H 1.3080667014 2.532312234 -0.6745692322
 C 1.954226658 -0.4700872461 -0.7453311237
 H 1.8508969786 -1.4500118818 -1.1767573079
 H 2.1467176066 0.3249081516 -1.4529857386
 C 2.5492480781 -0.3615785797 0.5976343977
 H 2.1490240964 -1.1182190037 1.2673970069
 H 3.6248891516 -0.5546605656 0.4628603176
 H 2.4504201506 0.6339749231 1.0307813068
22
TS[Me2Si=O-MeOEt complex:Me2Si(OH)(OMe)+H2C=CH2] in benzene wB97XD/6-311G(d) -638.871622 -638.688851 -638.726285 (ti593TS03dG)
 C -1.4793934611 -0.0624043501 1.68860868
 H -0.6851217926 -0.1004886465 2.4404522281
 H -1.9555944995 0.9217942727 1.7464347566
 H -2.2313701958 -0.8039109338 1.9757886417
 C -2.1006125614 -0.104747645 -1.3146441399
 H -2.8544047271 -0.8985945107 -1.303018188
 H -2.6277155108 0.842468521 -1.1640392852
 H -1.653066121 -0.0944750627 -2.3121728139
 Si -0.8046002544 -0.4446372304 -0.0139260542
 O 0.0299810145 -1.7871595246 -0.1670557188
 O 0.4222457442 0.8059892121 -0.2751517157
 C 0.1455581597 2.178563919 -0.0770237992
 H -0.8205445831 2.4301297027 -0.5193125545
 H 0.1318431648 2.4292111696 0.9885100115
 H 0.9157012162 2.7706608911 -0.5768805388
 C 2.2454586422 0.4522359627 0.0002274524
 H 2.2663817133 0.9969734612 0.9389528699
 H 2.4996971543 1.0513202509 -0.8667988819
 C 2.4970282821 -0.9386326422 -0.0033402013
 H 2.84685054 -1.3468545651 0.9426658365
 H 1.3231277348 -1.4671802934 -0.0974107138
 H 3.0198793406 -1.3158369585 -0.8792578712
10
Me2Si=O in benzene M06-2X/6-311G(d) -444.519689 -444.442146 -444.472047 (ti593MIN11eG)
 O -0.0000473529 1.7231673455 0.0000042629
 C -1.5319165899 -0.8489435259 -0.0127065963
 H -2.4317659536 -0.2401580491 0.0644687585
 H -1.5823713674 -1.4301378604 -0.9375532662
 H -1.5147667993 -1.5644508864 0.8133694711
 C 1.5319677101 -0.8488569231 0.0126674342
 H 1.5824554802 -1.4300654179 0.9375034063
 H 1.5148583781 -1.5643500649 -0.8134217896
 H 2.4317825672 -0.2400190374 -0.0644967917
 Si -0.0000040705 0.1965784196 -0.0000098882
12
MeOEt in benzene M06-2X/6-311G(d) -194.292593 -194.182924 -194.210685 (ti593MIN12eG)
 C -1.8012464567 0.0313713119 0.0000000491
 H -2.5016349149 -0.8024872253 -0.0000159148
 H -1.9780505932 0.6481917681 -0.8904796363
 H -1.9780548247 0.6481611302 0.8905001009
 O -0.5023419829 -0.5045042091 -0.0000060981
 C 0.4871035992 0.500859719 0.0000179587
 H 0.3674041934 1.1412904758 0.8859824604
 H 0.367407367 1.1413298675 -0.8859185142
 C 1.8449842389 -0.1675299052 0.0000055246
 H 1.9553478532 -0.7967502029 -0.8844985436
 H 2.643219137 0.5767061178 0.0000250762
 H 1.9553433837 -0.7967918478 0.884480537
22
Me2Si=O-MeOEt complex in benzene M06-2X/6-311G(d) -638.854559 -638.663671 -638.701322 (ti593MIN13eG)
 C -1.0614963836 -0.0436185558 1.8193649443
 H -0.1787374511 -0.436542933 2.3302544591
 H -1.1581160941 1.0178212509 2.0630037782
 H -1.9288002024 -0.5507216251 2.2511084604
 C -2.2068097492 0.7252377576 -0.9141224264
 H -3.2158563117 0.3125647887 -0.8306434669
 H -2.2437097494 1.7435913864 -0.518714666
 H -1.9652253365 0.7755398988 -1.9779540062
 Si -1.0023992683 -0.391493076 -0.021115515
 O -0.6871617357 -1.8112467711 -0.5444687629
 O 0.6053636516 0.5779541614 -0.4446886511
 C 0.8756070986 1.8533127625 0.1479505406
 H -0.0516305401 2.4205548814 0.1255273538
 H 1.2161988586 1.7331575824 1.1763239083
 H 1.6308514191 2.3616812527 -0.4504808216
 C 1.7780828646 -0.2095789105 -0.8059925223
 H 1.3727485162 -1.0334321785 -1.3862911487
 H 2.3913520256 0.4364397044 -1.4366583138
 C 2.5137965408 -0.7106312343 0.4163171848
 H 1.8600559769 -1.351527557 1.0093838079
 H 3.3679695603 -1.3089199132 0.0943325929
 H 2.8941023099 0.1012743272 1.0388692707
22 
Me2Si(OMe)(OEt) in benzene M06-2X/6-311G(d) -638.913048 -638.722982 -638.761916 (ti593MIN14eG)
 C 0.2783526021 0.1763560782 1.7943292213
 H -0.2187686912 -0.7588273954 2.0682865067
 H 1.2545693016 0.1836617082 2.2872891591
 H -0.3042509378 0.999273775 2.2158055531
 C 1.3428984682 1.9085512773 -0.5310077796
 H 0.8379526276 2.7921202982 -0.1340051971
 H 2.3656317974 1.9110649369 -0.14477148
 H 1.3939955811 2.0098510103 -1.6170339353
 Si 0.4413673837 0.356150719 -0.0584518015
 O -1.0316367387 0.4089777721 -0.7959393792
 O 1.2054760628 -0.9940798387 -0.6529254012
 C 2.377517498 -1.5276722696 -0.0727540109
 H 3.1850411612 -0.787651615 -0.0402658908
 H 2.1906471747 -1.8860436956 0.9449065078
 H 2.7080841004 -2.3685713739 -0.6817402661
 C -2.0200583948 -0.600540603 -0.6301980841
 H -2.4789251532 -0.7657265071 -1.6072118109
 H -1.5552998953 -1.5459983967 -0.3265996881
 C -3.0660334419 -0.166386263 0.3808188971
 H -3.5140121534 0.7798505177 0.0727876777
 H -3.8579811341 -0.9143516764 0.4628947845
 H -2.6205892185 -0.0282894587 1.3684464174
16
Me2Si(OH)(OMe) in benzene M06-2X/6-311G(d) -560.319137 -560.187026 -560.221392 (ti593MIN15eG)
 C -0.4115762022 -1.5575239313 -0.9501637964
 H -0.0778886938 -2.4216183024 -0.3693525022
 H -1.4196523298 -1.7711653953 -1.3136032511
 H 0.2392761354 -1.4780908071 -1.8254391404
 C -0.8945803838 1.4817543611 -0.9407485489
 H -0.2288441412 1.630421663 -1.7949982258
 H -1.907827433 1.3607332662 -1.331068329
 H -0.8747059661 2.3902685691 -0.3353770203
 Si -0.3944711121 0.0059577131 0.0688581181
 O 1.1169889 0.1978102267 0.7304917906
 O -1.4424923832 -0.0701460384 1.3418902475
 C 2.3026582997 0.1119244324 -0.0325161152
 H 3.1474363011 0.3149499051 0.6249828825
 H 2.4283498128 -0.8868531904 -0.4634515674
 H 2.3130601093 0.84805047 -0.8438818551
 H -1.2454999131 -0.6463249417 2.0832373132
6
H2C=CH2 in benzene M06-2X/6-311G(d) -78.557626 -78.506197 -78.527062 (ti593MIN16eG)
 C 0.000011829 0.6625659025 0.
 H 0.9231795436 1.2322732571 0.
 H -0.9231355429 1.2323062198 0.
 C -0.000011829 -0.6625659025 0.
 H -0.9231795436 -1.2322732571 0.
 H 0.9231355429 -1.2323062198 0.
22
TS[Me2Si=O-MeOEt complex:Me2Si(OMe)(OEt)] in benzene M06-2X/6-311G(d) -638.784863 -638.598404 -638.636123 (ti593TS01eG)
 C -1.1712032363 0.1131013623 1.7718768225
 H -0.2433118757 0.1734586848 2.3485962618
 H -1.6790488554 1.0795855505 1.8440847788
 H -1.8086721623 -0.6232067236 2.2685368113
 C -2.4151640522 -0.2362308599 -0.9958139915
 H -3.1773224853 -0.944972287 -0.6626778068
 H -2.838830612 0.7683958852 -0.9044267765
 H -2.2238292653 -0.4268314042 -2.0540883322
 Si -0.8384604111 -0.4017256542 -0.0031716428
 O 0.095675559 -1.6578982902 -0.2393552987
 O 0.2478805279 0.7914937822 -0.6336877109
 C 0.416380229 2.1250549524 -0.2191248745
 H -0.3976082355 2.7481268282 -0.6000548791
 H 0.4523289201 2.211120401 0.8712715758
 H 1.3556952297 2.5016616504 -0.6360559449
 C 1.9328415092 -0.4557439248 -0.7556396947
 H 1.8681327352 -1.427236254 -1.2139945167
 H 2.1412983769 0.3556103038 -1.441365097
 C 2.4989680291 -0.3660260628 0.6041982524
 H 2.1079166476 -1.1538828251 1.2413188105
 H 3.5831059058 -0.5124891975 0.4878215442
 H 2.3529255212 0.6138330826 1.0589607089
22
TS[Me2Si=O-MeOEt complex:Me2Si(OH)(OMe)+H2C=CH2] in benzene M06-2X/6-311G(d) -638.805981 -638.622566 -638.659789 (ti593TS03eG)
 C -1.4312901008 -0.05590256 1.6889073364
 H -0.6154965351 -0.0895756823 2.4165600424
 H -1.9051445461 0.9277267218 1.7521045649
 H -2.1731987512 -0.7946600995 2.0029758264
 C -2.0969267221 -0.0877071869 -1.3136875914
 H -2.8179765839 -0.9092214474 -1.346620074
 H -2.6604421808 0.8290191 -1.1234055638
 H -1.6419626846 -0.0161184774 -2.3043101825
 Si -0.8005530295 -0.4521369468 -0.0241572869
 O 0.0201459517 -1.8019177435 -0.193324334
 O 0.4451209195 0.7824788909 -0.2936633629
 C 0.1509242083 2.1586288033 -0.1064627305
 H -0.8236251803 2.3847671988 -0.5408776064
 H 0.1470484902 2.4121009422 0.956885645
 H 0.9092110416 2.7502871725 -0.621125062
 C 2.1772738416 0.4612575915 0.0269716629
 H 2.1920076353 0.9864781769 0.9789718105
 H 2.4922745573 1.0805140492 -0.8072908549
 C 2.4668823538 -0.9304098145 0.0105970093
 H 2.8069057517 -1.3373464263 0.9589155428
 H 1.2632867033 -1.5063207347 -0.1137389005
 H 3.0268638604 -1.2775165277 -0.8526178908
10
Me2Si=O in benzene B97D3/6-311G(d) -444.521348 -444.446098 -444.475628 (ti593MIN11fG)
 O -0.0000475783 1.7509200452 0.0000047259
 C -1.5480535099 -0.851835757 -0.0111370837
 H -2.4537021555 -0.2412518961 0.054361927
 H -1.5926706075 -1.4474115961 -0.9336138863
 H -1.5349348211 -1.5611775246 0.8276263236
 C 1.5481046744 -0.851748934 0.0110978365
 H 1.5927552549 -1.4473395241 0.9335634952
 H 1.5350258635 -1.5610757439 -0.8276788431
 H 2.4537189923 -0.2411129343 -0.0543897492
 Si -0.0000041173 0.204781095 -0.0000097389
12
MeOEt in benzene B97D3/6-311G(d) -194.271557 -194.165521 -194.193328 (ti593MIN12fG)
 C -1.8182626075 0.0333187947 0.0000005635
 H -2.5193703231 -0.8072719762 -0.0000184987
 H -2.0000427581 0.6542917323 -0.89526909
 H -2.0000471718 0.6542547938 0.8952949347
 O -0.5104283241 -0.5130058562 -0.0000074841
 C 0.4929797192 0.4990794869 0.0000168215
 H 0.3749799317 1.1456107422 0.8901447737
 H 0.374984373 1.1456491469 -0.8900838214
 C 1.856946641 -0.170777159 0.0000057825
 H 1.9766552512 -0.8020506047 -0.8886479455
 H 2.6544358627 0.5828374526 0.0000244673
 H 1.976650406 -0.8020895533 0.8886324963
22
Me2Si=O-MeOEt complex in benzene B97D3/6-311G(d) -638.823781 -638.638982 -638.677818 (ti593MIN13fG)
 C -1.131210787 -0.1069694892 1.8362955259
 H -0.2866682591 -0.5783786467 2.3537185215
 H -1.1467385461 0.9593665728 2.098412827
 H -2.0487351482 -0.5522577098 2.2453127999
 C -2.238193042 0.7541221484 -0.9157121992
 H -3.2643026777 0.369044975 -0.8384656408
 H -2.2443486948 1.7710675681 -0.5012692246
 H -1.9921688195 0.8156119484 -1.9827306284
 Si -1.0621454098 -0.4202237613 -0.0244607215
 O -0.754859134 -1.8413962562 -0.5885546406
 O 0.6213055629 0.5768233531 -0.4301364301
 C 0.904016049 1.8804942954 0.1240971521
 H -0.034557072 2.435497781 0.1172921842
 H 1.2833064465 1.794867631 1.1469021062
 H 1.6350344468 2.3837463238 -0.5165155335
 C 1.8011838539 -0.2319487021 -0.7875684092
 H 1.3654958005 -1.0821278173 -1.3138951708
 H 2.3887757617 0.3842527376 -1.4784837959
 C 2.5943711424 -0.6775213473 0.4260253565
 H 1.9697980827 -1.2817918496 1.0916603659
 H 3.430502485 -1.3035140971 0.089764635
 H 3.0163239589 0.1626513419 0.9896169204
22 
Me2Si(OMe)(OEt) in benzene B97D3/6-311G(d) -638.875886 -638.691466 -638.730753 (ti593MIN14fG)
 C 0.2956632339 0.1575391599 1.8316821553
 H -0.2186310784 -0.7695898273 2.1168607999
 H 1.2788043921 0.1508261942 2.3215114478
 H -0.2724186027 0.9970806166 2.2526831683
 C 1.3282990461 1.9124319395 -0.5137557612
 H 0.8117258396 2.789156222 -0.1024461459
 H 2.3587924998 1.9271302897 -0.1336925462
 H 1.3707629316 2.0257111157 -1.6039072113
 Si 0.4538053695 0.3277002769 -0.0362167887
 O -1.0298901826 0.3667467776 -0.7884081904
 O 1.2454049929 -1.0191968664 -0.6510941358
 C 2.460836705 -1.5305142886 -0.1129668303
 H 3.2674157435 -0.7810001053 -0.1429454602
 H 2.3339996674 -1.8668451703 0.9273745613
 H 2.7659193615 -2.3890695072 -0.7214149657
 C -2.0520461615 -0.6254220268 -0.5987574425
 H -2.4707607637 -0.8430933407 -1.5902308591
 H -1.6174357952 -1.5627438217 -0.218223318
 C -3.1402429836 -0.1177721491 0.3392622749
 H -3.5647176409 0.8202279886 -0.0386955104
 H -3.9507154158 -0.8548472234 0.4223156337
 H -2.7405931585 0.0672627461 1.3437251243
16
Me2Si(OH)(OMe) in benzene B97D3/6-311G(d) -560.292382 -560.164158 -560.198851 (ti593MIN15fG)
 C -0.4448117442 -1.5840054453 -0.9422255486
 H -0.1490065686 -2.4577054301 -0.3460122438
 H -1.4572793165 -1.7687481255 -1.3244923451
 H 0.2276865337 -1.5355073856 -1.8095697073
 C -0.8974651698 1.4855981327 -0.9495097808
 H -0.2274805256 1.6252821052 -1.8085141705
 H -1.9155555932 1.3663927075 -1.3419226175
 H -0.8718950165 2.4035870189 -0.3497911575
 Si -0.3922205702 0.0003372568 0.0707028032
 O 1.1383494686 0.1888108537 0.7336130688
 O -1.4440508251 -0.0521154738 1.3661966329
 C 2.3386079462 0.141032996 -0.0322683076
 H 3.1813605458 0.3025702082 0.6488222864
 H 2.4687653245 -0.8353564573 -0.5235902455
 H 2.3600175774 0.927676258 -0.8025821316
 H -1.2647910663 -0.6977012193 2.0600034646
6
H2C=CH2 in benzene B97D3/6-311G(d) -78.553313 -78.503556 -78.525100 (ti593MIN16fG)
 C 0.0000119201 0.6673153202 0.
 H 0.9268224199 1.241876779 0.
 H -0.926778089 1.241909838 0.
 C -0.0000119201 -0.6673153202 0.
 H -0.9268224199 -1.241876779 0.
 H 0.926778089 -1.241909838 0.
22
TS[Me2Si=O-MeOEt complex:Me2Si(OMe)(OEt)] in benzene B97D3/6-311G(d) -638.774532 -638.593740 -638.631740 (ti593TS01fG)
 C -1.1891723672 0.1095053045 1.7792562072
 H -0.2617310422 0.1525463975 2.3660212668
 H -1.6865858429 1.086572619 1.8575651625
 H -1.8439384425 -0.6257625116 2.2666827099
 C -2.4432843285 -0.2168166965 -1.0145078372
 H -3.2089532815 -0.933548922 -0.6884933508
 H -2.870415929 0.7909263575 -0.9108681322
 H -2.2511680277 -0.3957632885 -2.0799786078
 Si -0.8552747953 -0.4038219928 -0.0112311047
 O 0.0356236652 -1.7134420015 -0.2419358724
 O 0.2358044267 0.8055007197 -0.6725517372
 C 0.3878401981 2.1475030135 -0.2357700709
 H -0.5000661939 2.734662371 -0.5106553072
 H 0.5373011735 2.2159891231 0.8509466908
 H 1.2562977297 2.5812449318 -0.7484557489
 C 1.9942752462 -0.4677404201 -0.7360375583
 H 1.8604627427 -1.4424987519 -1.1795695439
 H 2.202304228 0.3364824322 -1.4345098734
 C 2.5714393636 -0.3820124935 0.620436895
 H 2.1749802339 -1.1590388376 1.2750553438
 H 3.6601819795 -0.5504483114 0.5072357317
 H 2.4537772638 0.6051599576 1.0785737372
22
TS[Me2Si=O-MeOEt complex:Me2Si(OH)(OMe)+H2C=CH2] in benzene B97D3/6-311G(d) -638.788454 -638.609559 -638.646663 (ti593TS03fG)
 C -1.2725139339 -0.151684222 1.6631867329
 H -0.3995434767 -0.2480101816 2.3231921229
 H -1.7173698397 0.8390974677 1.8303270297
 H -2.0081395626 -0.8976161088 1.9935858211
 C -2.2400971748 -0.0311624099 -1.2715866126
 H -2.9655512699 -0.8566077268 -1.2628650494
 H -2.779506713 0.8776755615 -0.9730354288
 H -1.8999184967 0.0918772645 -2.3077567215
 Si -0.7989769256 -0.4568773263 -0.1383140112
 O -0.0029603921 -1.8085794755 -0.4538143512
 O 0.4234385114 0.8221379217 -0.4682549808
 C 0.1288162102 2.2060637598 -0.2667287171
 H -0.8040808067 2.4532906711 -0.784583632
 H 0.0282537741 2.4463413701 0.8007625826
 H 0.9392802011 2.8032208462 -0.6998864648
 C 2.2224304595 0.4591470381 0.1512224952
 H 2.0711170635 0.9926375385 1.0884342388
 H 2.6195491031 1.0698279318 -0.6558507286
 C 2.4487263394 -0.9487794136 0.1657669429
 H 2.6440649208 -1.3670502889 1.15669958
 H 1.3645812912 -1.4689675957 -0.1312017252
 H 3.1297297174 -1.311557622 -0.6076911229
 

