77 E(PBEh-3c/C-PCM(DCM))=-4099.7382657962826 --- E(SiCl4)=-2128.1619961977149 C -5.0808722371 2.3555341007 -2.0334899922 C -4.9089727956 0.9533342841 -2.0725880428 C -3.9360872404 0.3472515940 -1.3335136836 C -3.0840058136 1.1338994623 -0.5207800083 C -3.2446276678 2.5414681663 -0.4924098840 C -4.2683310900 3.1360717823 -1.2629749730 C -2.0598611401 0.5801708459 0.2587735611 C -2.3994841873 3.2915033608 0.3327426206 C -1.3898061432 2.7094395948 1.0508127804 N -1.2259603439 1.3558344079 0.9392228238 C -0.5500082996 3.4877405716 1.9396348374 C -1.9044563351 -0.8811447869 0.4024256516 C -2.8823056187 -1.6809201152 1.0143171127 C -2.6927520723 -3.0868517726 0.9868693011 C -1.5584632829 -3.6015740584 0.3475252566 C -0.6208656938 -2.7807088409 -0.2137908220 N -0.8254506820 -1.4334439171 -0.1348456770 C -4.0354157809 -1.1472414801 1.6389880804 C -4.9555552936 -1.9895679434 2.1917280533 C -4.7745000012 -3.3899137721 2.1507134895 C -3.6662618502 -3.9304875073 1.5660802214 O -0.2151922804 0.7694626133 1.5543094528 O 0.0870139837 -0.6205182889 -0.6335113676 C 0.5393229952 -3.3048689803 -0.9065212188 N 1.0288789532 -4.5191871968 -0.5696964348 C 1.2199303559 -2.8615629563 -2.0139059775 N 2.0795607754 -3.8514205447 -2.2717147524 N 1.9591036228 -4.8350222901 -1.3905960458 C 3.0193794622 -3.9694691083 -3.3800590892 C 3.8006856962 -2.7037535446 -3.5823979235 C 3.4199996564 -1.7944212905 -4.5622260056 C 4.1187148848 -0.6064050859 -4.7290805430 C 5.2079058365 -0.3238744691 -3.9178414200 C 5.5963134006 -1.2316516400 -2.9409233849 C 4.8944589471 -2.4148149710 -2.7726589026 N -0.5096014247 4.8340963323 1.8040366556 N 0.2062704914 5.3280741440 2.7415452890 N 0.6252566359 4.3265597547 3.5038882457 C 0.1893762915 3.1506951157 3.0470234768 C 1.5498195788 4.5615229141 4.5971527350 C 2.9604406112 4.2242275258 4.1959753273 C 3.5714395302 4.8927390074 3.1386841825 C 4.8606680608 4.5610768181 2.7551157992 C 5.5541778035 3.5614228199 3.4273721627 C 4.9511320681 2.8970717264 4.4842358370 C 3.6558825533 3.2253950550 4.8627723096 H -5.8637579583 2.8092363920 -2.6265631990 H -5.5553956962 0.3551250553 -2.7002856970 H -3.8105122626 -0.7255984484 -1.3882339186 H -4.3935501877 4.2102073048 -1.2323024478 H -2.5397302207 4.3597908047 0.4161567653 H -1.4171363952 -4.6716146818 0.2797384131 H -4.1888347881 -0.0785437568 1.6895430182 H -5.8351972791 -1.5813578982 2.6700652396 H -5.5235621235 -4.0343255370 2.5907297778 H -3.5204335257 -5.0023230432 1.5332062264 H 1.1500782117 -1.9710535172 -2.6108338567 H 2.4595532429 -4.2314771788 -4.2788085153 H 3.6702600644 -4.8076028105 -3.1357217093 H 2.5719828712 -2.0144133359 -5.2008860827 H 3.8106177524 0.0963920395 -5.4921718701 H 5.7537462396 0.6017080778 -4.0466586017 H 6.4446606033 -1.0137485563 -2.3055521510 H 5.1981887222 -3.1175854254 -2.0056554670 H 0.4217878105 2.2169749341 3.5244108977 H 1.2311265087 3.9585870013 5.4467182124 H 1.4442639128 5.6100869695 4.8733695210 H 3.0378266098 5.6706619400 2.6045417778 H 5.3249631543 5.0825739833 1.9283043456 H 6.5607341488 3.3024334125 3.1256754028 H 5.4822438572 2.1144620214 5.0102081647 H 3.1816455982 2.6951433452 5.6803198063 Si 1.2904830327 0.2111661416 0.5423529193 Cl 1.0605834738 1.9425341781 -0.7773746427 Cl 2.9322707497 -0.5561116336 -0.6268781864 Cl 1.2668704414 -1.5379220124 1.8637421803 Cl 2.5781027112 1.2821808974 1.8998118617