%chk=000097618.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000097618 0 1 O -3.806000 0.8178000 8.9999998E-04 O -3.148800 -1.276800 -3.0000001E-04 N -2.896400 -4.7200002E-02 1.9999999E-04 C 0.7879000 -7.9099998E-02 -9.9999997E-05 C -0.5501000 -2.035800 -6.0000003E-04 C -0.5032000 -0.5367000 -3.0000001E-04 C 0.9487000 -2.444000 6.0000003E-04 C 1.668600 -1.128300 9.9999997E-05 C 1.154900 1.268200 -1.9999999E-04 C -1.542400 0.3776000 -3.9999999E-04 C 3.027900 -0.8672000 1.9999999E-04 C 9.8800004E-02 2.198500 -1.9999999E-04 C 2.536900 1.534400 0.000000 C -1.236300 1.748800 -9.9999997E-05 C 3.459500 0.4697000 1.9999999E-04 H -1.039600 -2.428200 0.8969000 H -1.038200 -2.427600 -0.8991000 H 1.194200 -3.027800 -0.8926000 H 1.193100 -3.026400 0.8949000 H 3.752200 -1.675100 5.0000002E-04 H 0.3041000 3.265900 0.000000 H 2.901800 2.558200 0.000000 H -2.018200 2.505400 0.000000 H 4.524600 0.6875000 3.9999999E-04 %chk=000097618-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000097618 0 1 O -3.873317 0.944094 0.000215 O -3.269195 -1.257159 -0.000323 N -2.979024 0.008077 -0.000320 C 0.795121 -0.105091 0.000067 C -0.544667 -2.097905 -0.000183 C -0.549302 -0.577142 -0.000080 C 0.976531 -2.499317 0.000324 C 1.736358 -1.177746 0.000198 C 1.164195 1.276488 0.000051 C -1.560161 0.393918 -0.000161 C 3.099643 -0.870939 0.000256 C 0.086815 2.231151 -0.000042 C 2.566474 1.562416 0.000127 C -1.238623 1.797170 -0.000121 C 3.497168 0.508716 0.000215 H -1.088855 -2.493055 0.876107 H -1.088124 -2.492792 -0.877058 H 1.230051 -3.110459 -0.885821 H 1.229541 -3.109854 0.887044 H 3.864291 -1.655070 0.000348 H 0.309313 3.303784 -0.000050 H 2.913190 2.601766 0.000117 H -2.070998 2.505877 -0.000173 H 4.567575 0.744875 0.000262