%chk=000012295.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000012295 0 1 O -3.226500 0.4839000 2.0199999E-02 O -2.262200 -1.610600 -4.0899999E-02 O 5.265900 -0.6148000 -0.1391000 O 4.280100 1.427800 -4.5200001E-02 C 0.3560000 -0.5020000 0.1164000 C 1.657100 0.3109000 0.1209000 C -0.8863000 0.3894000 0.1209000 C 2.898800 -0.5778000 3.7700001E-02 C -2.178600 -0.3923000 3.2800000E-02 C 4.188900 0.2082000 -4.3699998E-02 C -4.524400 -0.1093000 -9.0000004E-02 C -5.568800 0.9865000 -9.0000004E-02 H 0.3349000 -1.167800 0.9882000 H 0.3357000 -1.148200 -0.7702000 H 1.704300 0.9254000 1.028500 H 1.652300 1.007300 -0.7272000 H -0.8484000 1.071000 -0.7367000 H -0.9074000 0.9814000 1.042800 H 2.837100 -1.209300 -0.8558000 H 2.948400 -1.221700 0.9228000 H -4.586800 -0.6802000 -1.023200 H -4.692400 -0.7808000 0.7594000 H -6.575500 0.5674000 -0.1733000 H -5.506900 1.578000 0.8294000 H -5.403100 1.676900 -0.9237000 H 6.105800 -0.1118000 -0.2018000 %chk=000012295-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000012295 0 1 O -3.264523 0.504565 -0.013583 O -2.288519 -1.610010 -0.098698 O 5.332297 -0.679922 0.079552 O 4.377373 1.435050 0.035952 C 0.377561 -0.486697 0.000831 C 1.685128 0.332126 0.015693 C -0.867216 0.420038 -0.013043 C 2.927160 -0.577911 0.036185 C -2.169484 -0.364323 -0.045334 C 4.230884 0.193942 0.046429 C -4.616280 -0.139420 -0.049725 C -5.641395 0.986669 0.027834 H 0.334455 -1.152930 0.883924 H 0.354105 -1.152133 -0.883417 H 1.707133 1.001738 0.896901 H 1.730882 0.993349 -0.871011 H -0.852983 1.096714 -0.890019 H -0.885314 1.083742 0.873185 H 2.940183 -1.253547 -0.841549 H 2.919318 -1.244082 0.921126 H -4.696169 -0.723809 -0.984035 H -4.688798 -0.840392 0.801242 H -6.663083 0.566180 0.004896 H -5.523944 1.562795 0.961380 H -5.532293 1.679812 -0.823684 H 6.171521 -0.144046 0.088168