%chk=000113733.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113733 0 1 O 2.309200 -3.7200000E-02 -0.3931000 O -1.881800 0.2307000 -0.3633000 O 0.1301000 -1.562100 0.3865000 O -0.7317000 -3.545400 -0.4263000 C 0.1525000 -0.9494000 -0.9049000 C 0.9970000 0.3147000 -0.8106000 C -1.279400 -0.6333000 -1.321400 C 4.536700 0.6578000 0.1442000 C -3.790400 1.504000 0.3199000 C 3.152600 1.103100 -0.3060000 C -3.204700 0.5832000 -0.7411000 C 5.493900 1.839100 0.2748000 C -5.222400 1.911100 -1.5500000E-02 C 6.862500 1.395400 0.7661000 C -5.818500 2.795500 1.067900 C -0.5715000 -2.729000 0.4709000 C -1.134200 -2.878300 1.851900 H 0.6237000 -1.642500 -1.612900 H 0.5762000 1.004500 -6.9499999E-02 H 1.038500 0.8158000 -1.784600 H -1.887600 -1.538900 -1.413700 H -1.270200 -0.1383000 -2.300400 H 4.933500 -7.6300003E-02 -0.5681000 H 4.452400 0.1299000 1.102500 H -3.155900 2.393300 0.4217000 H -3.757400 0.9995000 1.293900 H 2.733800 1.814500 0.4154000 H 3.215600 1.589500 -1.286500 H -3.814700 -0.3235000 -0.8290000 H -3.186900 1.093200 -1.711500 H 5.083900 2.575600 0.9757000 H 5.602700 2.339100 -0.6945000 H -5.846700 1.017400 -0.1312000 H -5.242900 2.447300 -0.9714000 H 6.791700 0.9220000 1.750600 H 7.315300 0.6800000 7.2200000E-02 H 7.532300 2.256900 0.8509000 H -5.843900 2.274400 2.030200 H -5.235100 3.713900 1.189400 H -6.843500 3.076300 0.8066000 H -1.816800 -2.051600 2.064500 H -0.3219000 -2.905500 2.582600 H -1.692700 -3.816500 1.916400 %chk=000113733-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000113733 0 1 O 2.169709 0.022262 -0.380040 O -2.068582 0.413045 -0.401392 O -0.080102 -1.617863 0.650142 O -0.292675 -3.653745 -0.472504 C -0.034327 -0.900773 -0.663028 C 0.751320 0.383818 -0.420765 C -1.449882 -0.653780 -1.189893 C 4.474033 0.653570 0.034503 C -3.997085 1.809080 0.065459 C 3.022766 1.142527 0.035947 C -3.451098 0.683029 -0.816681 C 5.470161 1.752232 0.472786 C -5.458463 2.176045 -0.282020 C 6.932914 1.258077 0.469395 C -6.007119 3.315754 0.603318 C -0.181326 -3.010168 0.597808 C -0.121079 -3.593225 1.992651 H 0.503925 -1.547256 -1.380814 H 0.424869 0.849956 0.530162 H 0.556243 1.103177 -1.246244 H -2.043585 -1.589626 -1.130905 H -1.386278 -0.352402 -2.260935 H 4.728913 0.295639 -0.981836 H 4.553871 -0.220316 0.709676 H -3.347233 2.698480 -0.048776 H -3.927249 1.495817 1.125021 H 2.722815 1.487032 1.051951 H 2.896335 1.999547 -0.665798 H -4.064941 -0.239693 -0.703966 H -3.473368 0.978304 -1.891412 H 5.203165 2.109115 1.488583 H 5.374909 2.628293 -0.201150 H -6.101500 1.279262 -0.169498 H -5.521876 2.474273 -1.348642 H 7.062595 0.402242 1.158147 H 7.234884 0.923263 -0.540729 H 7.630148 2.055769 0.784878 H -5.982700 3.032991 1.672442 H -5.402145 4.234404 0.486056 H -7.052337 3.562712 0.341979 H -0.804145 -3.050648 2.667096 H 0.900745 -3.479349 2.396649 H -0.381926 -4.660973 1.961679