%chk=000108922.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108922 0 1 Si -3.088300 0.3898000 0.3980000 O -3.613200 1.221000 -0.9688000 O -1.864000 1.273300 1.143600 C -1.499400 -3.620900 0.6155000 C -0.3896000 -3.651500 -0.4402000 C -1.982200 -2.228300 1.045200 C 0.8608000 -2.867300 -3.3799998E-02 C -2.489500 -1.315200 -7.8500003E-02 C 1.966900 -3.011300 -1.082700 C 3.254700 -2.268100 -0.7157000 C 3.054400 -0.7639000 -0.5178000 C 4.382600 -6.2100001E-02 -0.2254000 C -4.518600 0.1679000 1.610900 C 4.191100 1.446900 -6.4800002E-02 C 5.512100 2.143500 0.2605000 C -4.149300 2.530100 -0.8420000 C -0.6782000 1.566300 0.4185000 C 5.331800 3.647800 0.3880000 C -4.538700 3.038600 -2.213700 C 0.2565000 2.363400 1.303100 H -2.356800 -4.186000 0.2295000 H -1.154200 -4.156600 1.508600 H -0.1183000 -4.699300 -0.6198000 H -0.7741000 -3.265700 -1.391800 H -2.785600 -2.372500 1.779800 H -1.175000 -1.723800 1.591700 H 1.224200 -3.225400 0.9366000 H 0.5966000 -1.812800 8.1500001E-02 H -3.307800 -1.828900 -0.5977000 H -1.695600 -1.181500 -0.8214000 H 2.205100 -4.073400 -1.219100 H 1.602800 -2.642200 -2.049500 H 3.673400 -2.703600 0.1999000 H 3.990700 -2.437100 -1.511200 H 2.373300 -0.5755000 0.3190000 H 2.597400 -0.3327000 -1.416500 H 5.089300 -0.2555000 -1.041600 H 4.822800 -0.4778000 0.6892000 H -4.186600 -0.3724000 2.502100 H -5.330700 -0.3970000 1.144100 H -4.908600 1.139700 1.926700 H 3.769300 1.864300 -0.9871000 H 3.470600 1.641400 0.7385000 H 5.920700 1.748300 1.197800 H 6.246300 1.936100 -0.5267000 H -5.038500 2.517700 -0.2004000 H -3.405300 3.206600 -0.4040000 H -0.1767000 0.6407000 0.1119000 H -0.9138000 2.154800 -0.4767000 H 4.956700 4.078600 -0.5459000 H 6.288000 4.125700 0.6225000 H 4.624700 3.891500 1.187400 H -3.669200 3.057100 -2.879200 H -5.278600 2.376300 -2.675200 H -4.957400 4.047100 -2.152800 H -0.2285000 3.282400 1.648400 H 0.5252000 1.789400 2.196100 H 1.170700 2.628700 0.7657000 %chk=000108922-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108922 0 1 Si -3.225678 0.325912 0.525369 O -3.778237 1.108046 -0.928755 O -1.901304 1.224580 1.216951 C -1.588826 -3.675438 0.535502 C -0.470059 -3.624572 -0.535596 C -2.086591 -2.295883 1.042573 C 0.811865 -2.885710 -0.088448 C -2.663726 -1.388037 -0.074490 C 1.934686 -2.942278 -1.150637 C 3.247543 -2.234649 -0.734236 C 3.120201 -0.702564 -0.563083 C 4.466959 -0.011885 -0.250547 C -4.524392 0.356543 1.902311 C 4.341646 1.516655 -0.061587 C 5.686697 2.210226 0.253377 C -4.332611 2.466264 -0.991292 C -0.621831 1.470244 0.542502 C 5.548838 3.736507 0.441893 C -4.535545 2.827671 -2.464128 C 0.250342 2.318468 1.470140 H -2.452888 -4.236098 0.122609 H -1.222533 -4.257333 1.406934 H -0.203927 -4.665114 -0.814964 H -0.857792 -3.152861 -1.461652 H -2.863920 -2.471459 1.814381 H -1.259857 -1.770665 1.561474 H 1.182291 -3.329390 0.860162 H 0.568977 -1.828761 0.137184 H -3.523432 -1.884962 -0.566818 H -1.912147 -1.226293 -0.872175 H 2.152566 -4.006617 -1.377928 H 1.562422 -2.493651 -2.096191 H 3.618638 -2.678047 0.213848 H 4.025441 -2.440409 -1.498650 H 2.402389 -0.471539 0.250545 H 2.691825 -0.267986 -1.491383 H 5.185757 -0.222056 -1.070444 H 4.903865 -0.459625 0.666853 H -4.150816 -0.170696 2.798024 H -5.463681 -0.126541 1.579331 H -4.750159 1.395964 2.199653 H 3.904812 1.965687 -0.978604 H 3.623376 1.725886 0.759715 H 6.121399 1.761037 1.169822 H 6.405072 2.000430 -0.565467 H -5.299632 2.502571 -0.445570 H -3.638802 3.183130 -0.503250 H -0.119860 0.503991 0.315520 H -0.796006 1.993637 -0.421059 H 5.152195 4.215029 -0.473585 H 6.522186 4.206759 0.674104 H 4.853657 3.971360 1.270224 H -3.572058 2.797097 -3.001803 H -5.219756 2.105979 -2.942937 H -4.965141 3.842546 -2.562423 H -0.243826 3.281799 1.684904 H 0.412188 1.794150 2.428028 H 1.233603 2.519653 1.004070