%chk=000008717.chk %nprocshared=24 %mem=100GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000008717 0 1 N 2.408800 -1.457600 9.9999997E-05 C -1.191600 0.7087000 -9.9999997E-05 C -1.210500 -0.6860000 0.000000 C 1.224200 0.6758000 0.000000 C 1.205300 -0.7189000 -1.9999999E-04 C 2.5800001E-02 1.389600 0.000000 C -1.2100000E-02 -1.399800 0.000000 C -2.461800 1.494200 0.000000 C -2.501600 -1.436600 9.9999997E-05 C 2.513600 1.430600 9.9999997E-05 H 4.0199999E-02 2.476900 9.9999997E-05 H -2.3000000E-02 -2.487500 9.9999997E-05 H -3.053200 1.271000 0.8941000 H -2.272500 2.573300 -3.9999999E-04 H -3.053700 1.270400 -0.8935000 H -2.341500 -2.520500 1.9999999E-04 H -3.087000 -1.197200 0.8938000 H -3.086900 -1.197400 -0.8938000 H 3.099000 1.191200 0.8941000 H 3.098700 1.191800 -0.8943000 H 2.351600 2.514200 5.0000002E-04 H 2.375100 -2.468700 -6.9999998E-04 H 3.305600 -0.9924000 -1.1000000E-03 %chk=000008717-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000008717 0 1 N 2.440389 -1.463140 0.000047 C -1.223335 0.721838 0.000020 C -1.234358 -0.705146 0.000011 C 1.266178 0.696523 -0.000007 C 1.243137 -0.731504 -0.000036 C 0.029907 1.382822 0.000007 C -0.008192 -1.407412 -0.000025 C -2.517484 1.520444 0.000090 C -2.546287 -1.472571 0.000027 C 2.587141 1.446524 0.000021 H 0.045007 2.480703 0.000030 H -0.021883 -2.505667 -0.000026 H -3.140079 1.299016 0.889444 H -2.312735 2.605841 -0.000260 H -3.140508 1.298509 -0.888831 H -2.373999 -2.563357 0.000107 H -3.160587 -1.228938 0.888593 H -3.160524 -1.229074 -0.888625 H 3.199426 1.207224 0.894151 H 3.199262 1.207654 -0.894348 H 2.421243 2.537198 0.000272 H 2.421228 -2.478110 -0.000585 H 3.339554 -0.994276 -0.000979