%chk=000087428.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000087428 0 1 Si 6.6799998E-02 -1.0700000E-02 0.1847000 O -0.5481000 1.411100 -0.4602000 O -0.7685000 -1.316700 -0.4550000 O 1.684600 -0.1379000 -0.2410000 C -0.1041000 3.0800000E-02 2.055100 C 2.5599999E-02 2.654000 -7.9899997E-02 C -2.169600 -1.422500 -0.2475000 C 2.436500 -1.260900 0.1956000 C -1.526400 0.1633000 2.583500 C 1.496600 2.665700 -0.4669000 C -0.7443000 3.785200 -0.7443000 C -2.857600 -0.2048000 -0.8456000 C -2.671200 -2.718100 -0.8668000 C 1.801000 -2.531200 -0.3485000 C 3.878600 -1.107200 -0.2634000 H 0.3464000 -0.8711000 2.484100 H 0.4869000 0.8762000 2.425600 H -7.1500003E-02 2.794800 1.004700 H -2.403200 -1.507800 0.8125000 H 2.451200 -1.296900 1.293100 H -1.488000 0.5161000 3.621200 H -2.128700 0.8830000 2.022400 H -2.041600 -0.7985000 2.624600 H 1.872600 3.695700 -0.4914000 H 2.124600 2.154600 0.2690000 H 1.672100 2.229400 -1.456300 H -0.3504000 4.763700 -0.4534000 H -1.803300 3.738700 -0.4682000 H -0.7001000 3.698500 -1.835600 H -3.927100 -0.4056000 -0.9823000 H -2.816100 0.6718000 -0.1948000 H -2.447400 6.1900001E-02 -1.826100 H -3.745300 -2.851400 -0.7057000 H -2.144100 -3.576300 -0.4359000 H -2.472900 -2.737000 -1.944100 H 2.514600 -3.362400 -0.2994000 H 0.9443000 -2.857200 0.2491000 H 1.489400 -2.426400 -1.393600 H 4.499500 -1.941000 7.8100003E-02 H 4.303800 -0.1742000 0.1222000 H 3.935900 -1.050400 -1.356000 %chk=000087428-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000087428 0 1 Si -0.131132 -0.020880 0.876228 O -0.620076 1.598085 0.572076 O -1.336906 -1.076704 0.248884 O 1.405639 -0.160766 0.079566 C -0.047236 -0.407368 2.727087 C 0.144034 2.674424 -0.093391 C -2.076559 -0.913292 -1.021255 C 2.428691 -1.194752 0.343048 C -1.402967 -0.172953 3.443687 C 0.028715 2.527379 -1.620590 C -0.429748 3.998467 0.427310 C -1.236534 -1.453910 -2.193248 C -3.407874 -1.655063 -0.849363 C 1.988540 -2.553043 -0.235232 C 3.735236 -0.680071 -0.273389 H 0.274759 -1.458224 2.862935 H 0.739483 0.228800 3.177943 H 1.211501 2.580191 0.195619 H -2.268389 0.170237 -1.171342 H 2.557579 -1.293181 1.444421 H -1.323118 -0.396419 4.523427 H -1.733047 0.875906 3.334881 H -2.188526 -0.819521 3.014481 H 0.569527 3.346596 -2.130890 H 0.466494 1.567297 -1.945721 H -1.032494 2.565181 -1.927952 H 0.106430 4.856910 -0.018448 H -0.337100 4.054583 1.525692 H -1.500257 4.075593 0.166679 H -1.779559 -1.327930 -3.148765 H -0.272216 -0.919570 -2.262408 H -1.027606 -2.529198 -2.047197 H -4.027006 -1.561568 -1.761047 H -3.970557 -1.240868 0.004777 H -3.222273 -2.726842 -0.656574 H 2.743108 -3.330450 -0.012054 H 1.018922 -2.871149 0.188883 H 1.873328 -2.479502 -1.331414 H 4.560410 -1.393798 -0.093365 H 4.008742 0.295982 0.162897 H 3.611540 -0.550308 -1.363277