%nproc=24 %mem=120GB %chk=cluster2.chk #p opt freq b2plyp/def2tzv scrf=(smd, solvent=acetonitrile) EmpiricalDispersion=GD3BJ Cluster 2 0 1 C 0.81378961974908 1.06873667251125 1.84473580036422 C 0.76066843910924 0.44133757126601 3.00165946465972 H 1.45761151837747 0.71566320301289 3.78750493133102 C 0.80648129668382 1.64121445345498 0.66812236687843 C 0.08243439836381 -0.88632188063748 3.17856114070968 H 0.79554572084958 -1.62186929788232 3.55332702417646 H -0.37522085000547 -1.26171092328279 2.26043143838429 O -1.02580429941592 -0.84855258710098 4.16498119277148 H -0.61667077484572 -0.38067568312212 4.92352603109231 Si 1.99956066821815 0.75175278807387 -0.54073171188629 C 1.08583425744066 -0.68800168984946 -1.3709486951371 H 1.23717364298052 -1.66554826077215 -0.90850521111508 H 0.01124340995295 -0.57378371969736 -1.53056429528913 H 1.53788952166341 -0.9177723731064 -2.33717216988263 C 2.71113800714671 1.87563921293377 -1.89865363175896 H 3.15924321755109 1.24086202687489 -2.66534801074254 H 1.87312751052666 2.42657802749666 -2.3318863482981 H 3.34969917894086 2.6895896679233 -1.54776984014255 C 3.48264739619736 0.0628118927278 0.43428186380389 C 3.87937868833109 -1.28672740333576 0.50356438569971 C 4.35076035718676 1.08204060744115 0.87122547509867 C 5.12178359156991 -1.63461138570359 1.0451680721876 H 3.22738074487766 -2.06836413902473 0.13275419523281 C 5.61918848670095 0.74277192874379 1.35601093769693 H 4.13540896157948 2.14149749754291 0.80410506296674 C 5.96903014365318 -0.60679476232044 1.4751937461511 H 5.31812691798954 -2.69710579267364 0.98078935105378 H 6.27500965487468 1.58169263179326 1.55103511930006 H 6.96459885606924 -0.7825497689251 1.86087645177372 C 0.11386857796414 2.97593288599425 0.3911854225655 H 0.79693632200795 3.72878663260852 0.79587788519184 H -0.02195381559748 3.11388926976575 -0.68431978944858 C -1.26241354761924 2.90491826787519 1.08907934061311 H -1.01370516899297 2.71259655288659 2.13537368799446 H -1.7695984433552 3.86720372907264 1.14717308267323 C -2.24496652417498 1.87575855887845 0.55338499244919 H -1.75152043799401 1.01219295675259 0.09418710697415 H -2.91161547774081 1.46832522601325 1.32137430262426 O -3.09618336366224 2.49495993290626 -0.4690351989917 C -4.24051397411862 1.65197967572895 -0.86183326919623 H -4.52098210420947 2.20431893837251 -1.76324266787009 H -4.97768049537239 1.79418064185536 -0.06561094251166 C -3.84071579933845 0.23964441596044 -1.17161338681372 C -3.07102290471933 0.00672060712718 -2.31727179952646 C -4.23246965521103 -0.83709609598154 -0.35844913894536 C -2.76934976238934 -1.27816194300807 -2.78354078818903 H -2.72294387843982 0.82761161503847 -2.93207435023681 C -3.8029515808303 -2.08748917370498 -0.79625881594422 H -4.60676146407745 -0.84409609065968 0.65773697383005 C -3.0472543162889 -2.36458622464915 -1.94436553677062 H -2.25604562169005 -1.2833493385642 -3.73291312128846 H -4.11352389128376 -2.96041152230511 -0.23879602363425 O -2.75683066084011 -3.71737040351735 -2.13930706685344 C -1.64532043249327 -4.1165661107789 -3.0066589805471 H -1.4745342280898 -5.15711086166169 -2.75161578511456 H -1.94323703201522 -3.98060164421192 -4.04623473240463 H -0.70408139260633 -3.61792906071724 -2.77445514259283