%chk=000079755.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000079755 0 1 O -2.397700 -0.7481000 -9.9999997E-05 O 2.397700 -0.7482000 3.9999999E-04 C 0.000000 -0.7812000 3.0000001E-04 C -1.208000 -8.3700001E-02 3.9999999E-04 C 1.207900 -8.3899997E-02 -9.9999997E-05 C -1.9999999E-04 -2.276300 -6.0000003E-04 C -1.207800 1.311200 9.9999997E-05 C 1.208100 1.310900 -3.9999999E-04 C 1.9999999E-04 2.008500 -1.9999999E-04 C -3.582700 4.5400001E-02 0.000000 C 3.582600 4.5400001E-02 0.000000 H -1.3000000E-03 -2.649300 -1.029600 H 0.8750000 -2.681800 0.5183000 H -0.8744000 -2.681500 0.5200000 H -2.105100 1.920300 0.000000 H 2.105300 1.920000 -6.9999998E-04 H 1.9999999E-04 3.094800 -3.9999999E-04 H -3.665100 0.6487000 0.9106000 H -3.665100 0.6489000 -0.9104000 H -4.432300 -0.6455000 0.000000 H 3.665100 0.6492000 0.9101000 H 3.664900 0.6484000 -0.9108000 H 4.432300 -0.6454000 3.0000001E-04 %chk=000079755-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000079755 0 1 O -2.382528 -0.767416 -0.006094 O 2.382519 -0.767527 -0.005886 C -0.000020 -0.722135 0.000147 C -1.214606 0.017183 -0.004036 C 1.214610 0.017108 -0.003994 C -0.000126 -2.236573 0.003189 C -1.227832 1.436787 -0.004960 C 1.227906 1.436715 -0.004924 C 0.000059 2.129391 -0.005710 C -3.666676 -0.072586 0.008048 C 3.666667 -0.072710 0.007837 H -0.001108 -2.635628 -1.029867 H 0.902996 -2.621981 0.503331 H -0.902463 -2.621842 0.504883 H -2.168203 1.994976 -0.006751 H 2.168313 1.994850 -0.006705 H 0.000094 3.225302 -0.007816 H -3.782247 0.551359 0.916786 H -3.794395 0.563420 -0.890529 H -4.427065 -0.868154 0.007469 H 3.782509 0.551307 0.916498 H 3.794140 0.563232 -0.890819 H 4.427057 -0.868278 0.007105