%chk=000069862.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000069862 0 1 Si -2.215700 9.9999997E-05 9.9100001E-02 C -0.8321000 5.0000002E-04 -1.166700 C -3.870000 3.0000001E-04 -0.7840000 C -2.080500 -1.531600 1.172700 C -2.080600 1.530700 1.173900 C 0.5682000 3.0000001E-04 -0.5996000 C 1.196800 -1.207800 -0.3454000 C 1.197100 1.208300 -0.3452000 C 2.489800 -1.208100 0.1778000 C 2.490200 1.207900 0.1780000 C 3.136500 -3.9999999E-04 0.4395000 H -0.9523000 0.8715000 -1.823700 H -0.9522000 -0.8701000 -1.824300 H -3.969700 0.8869000 -1.417200 H -3.969700 -0.8859000 -1.417700 H -4.692900 -9.9999997E-05 -6.3100003E-02 H -2.919600 -1.584600 1.872900 H -2.091200 -2.436800 0.5583000 H -1.154400 -1.522100 1.754700 H -1.154400 1.520800 1.755800 H -2.091600 2.436400 0.5605000 H -2.919500 1.582900 1.874400 H 0.7035000 -2.154400 -0.5465000 H 0.7040000 2.155100 -0.5461000 H 2.993100 -2.148700 0.3812000 H 2.994000 2.148200 0.3817000 H 4.143300 -6.0000003E-04 0.8469000 %chk=000069862-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000069862 0 1 Si -2.241886 -0.000003 0.105464 C -0.835848 0.000205 -1.240648 C -3.926801 0.000331 -0.808903 C -2.083202 -1.567749 1.191367 C -2.083047 1.567242 1.192069 C 0.564238 0.000061 -0.660072 C 1.234975 -1.218330 -0.363457 C 1.234644 1.218292 -0.362040 C 2.526140 -1.220509 0.210431 C 2.525812 1.220152 0.211836 C 3.179057 -0.000260 0.502257 H -0.997446 0.890116 -1.880151 H -0.997481 -0.889476 -1.880458 H -4.031232 0.894547 -1.451274 H -4.031319 -0.893484 -1.451817 H -4.768243 0.000154 -0.091311 H -2.836757 -1.562441 2.000766 H -2.234990 -2.486407 0.594563 H -1.082483 -1.623434 1.656979 H -1.082385 1.622542 1.657843 H -2.234587 2.486186 0.595643 H -2.836717 1.561719 2.001361 H 0.740421 -2.171152 -0.591009 H 0.739829 2.171250 -0.588454 H 3.024131 -2.173314 0.425104 H 3.023547 2.172841 0.427613 H 4.181731 -0.000379 0.944200