%chk=000081414.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081414 0 1 O -3.661900 -0.5141000 1.3800000E-02 O 3.669200 -0.5216000 -1.3500000E-02 O -5.071200 1.315600 -4.1800000E-02 O 5.064700 1.319200 2.1500001E-02 C -5.9000002E-03 0.3535000 1.6100001E-02 C -1.267500 -0.5075000 3.8199998E-02 C 1.257600 -0.5120000 5.1000002E-03 C -2.529100 0.3435000 6.2000002E-03 C 2.530100 0.3262000 1.6200000E-02 C -4.880100 0.1074000 -1.2700000E-02 C 4.883100 0.1095000 -7.1999999E-03 C -5.975600 -0.9154000 -1.6000000E-03 C 5.986500 -0.9042000 -4.0199999E-02 H -1.3400000E-02 0.9981000 -0.8711000 H 5.9000002E-03 1.010300 0.8942000 H -1.278600 -1.142800 0.9326000 H -1.273000 -1.194400 -0.8175000 H 1.261100 -1.163200 -0.8780000 H 1.262800 -1.184500 0.8722000 H -2.561200 0.9993000 0.8841000 H -2.543900 0.9584000 -0.9014000 H 2.546400 0.9850000 -0.8602000 H 2.559500 0.9421000 0.9230000 H -5.914200 -1.513800 0.9107000 H -5.896700 -1.552200 -0.8862000 H -6.945000 -0.4091000 -2.1700000E-02 H 5.913700 -1.501200 -0.9527000 H 5.928400 -1.543600 0.8442000 H 6.951900 -0.3901000 -3.6200002E-02 %chk=000081414-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000081414 0 1 O -3.710935 -0.533967 0.007101 O 3.711492 -0.530531 -0.006719 O -5.135867 1.310594 0.009611 O 5.134774 1.315289 0.001860 C -0.000164 0.396219 0.003559 C -1.282746 -0.468008 0.003469 C 1.283223 -0.466804 -0.000737 C -2.543499 0.396803 0.005940 C 2.543215 0.399145 0.000827 C -4.975170 0.069272 0.008888 C 4.975198 0.073846 -0.005408 C -6.062855 -0.983196 0.009664 C 6.063826 -0.977618 -0.013809 H -0.001859 1.063036 -0.883324 H 0.000894 1.058651 0.893723 H -1.292448 -1.128243 0.891732 H -1.294032 -1.125637 -0.886714 H 1.293415 -1.122615 -0.892274 H 1.295263 -1.128841 0.886159 H -2.607188 1.043033 0.901305 H -2.609952 1.044224 -0.888355 H 2.605571 1.050560 -0.890870 H 2.609806 1.041482 0.898765 H -5.964206 -1.631648 0.897390 H -5.967511 -1.629454 -0.880037 H -7.048634 -0.496772 0.012033 H 5.965033 -1.620394 -0.905635 H 5.969781 -1.629713 0.871763 H 7.049173 -0.490313 -0.013806