%chk=000109249.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109249 0 1 O 0.1301000 -1.221300 -1.241000 O -2.241900 2.399400 6.7500003E-02 O -2.171500 -2.206100 0.4341000 N -1.861900 0.1094000 0.3518000 C -0.4499000 0.1474000 0.6815000 C 0.4091000 1.3200000E-02 -0.5818000 C -4.013800 0.7940000 -0.2201000 C -3.992500 -0.7204000 -9.6699998E-02 C -2.609400 1.232800 7.9899997E-02 C -2.576000 -1.064500 0.2625000 C 1.885700 5.1199999E-02 -0.2545000 C 2.543000 1.269400 -0.2369000 C 2.547900 -1.132800 2.0900000E-02 C 3.904400 1.304600 6.5099999E-02 C 3.909200 -1.097500 0.3229000 C 4.587500 0.1212000 0.3450000 H -0.2302000 1.089600 1.196500 H -0.2430000 -0.6813000 1.369600 H 0.1732000 0.8111000 -1.297200 H -4.703500 1.243600 0.5002000 H -4.290500 1.107600 -1.231100 H -4.261300 -1.201400 -1.041700 H -4.667900 -1.066300 0.6913000 H 2.018300 2.195900 -0.4516000 H 2.040100 -2.092600 2.5400000E-02 H -0.7679000 -1.159500 -1.607800 H 4.432300 2.253700 8.3200000E-02 H 4.440700 -2.018400 0.5446000 H 5.647100 0.1487000 0.5813000 %chk=000109249-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109249 0 1 O 0.370685 -2.042095 -0.729148 O -1.959643 2.368944 0.838283 O -2.395304 -2.094133 -0.518824 N -1.886206 0.071156 0.274341 C -0.466195 -0.135709 0.642054 C 0.443627 -0.599669 -0.540906 C -3.991639 1.174128 -0.005602 C -4.141033 -0.314392 -0.400192 C -2.531165 1.336306 0.424754 C -2.746010 -0.915061 -0.236145 C 1.899560 -0.223424 -0.262750 C 2.293090 1.138908 -0.282278 C 2.862460 -1.219089 0.022971 C 3.630427 1.501875 -0.011297 C 4.201759 -0.855231 0.294611 C 4.590274 0.503823 0.280884 H -0.124951 0.835021 1.038788 H -0.401070 -0.896186 1.442417 H 0.101108 -0.063941 -1.456223 H -4.646536 1.474615 0.829636 H -4.197640 1.866435 -0.839873 H -4.478336 -0.463854 -1.439473 H -4.845058 -0.864648 0.247842 H 1.557664 1.920970 -0.514270 H 2.546155 -2.265466 0.010550 H -0.593575 -2.316367 -0.718890 H 3.923865 2.557556 -0.030856 H 4.942093 -1.633634 0.512335 H 5.628996 0.783859 0.490160