%chk=000108806.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108806 0 1 O 2.811800 1.098600 -3.0000001E-04 N 1.379000 -0.7712000 3.0000001E-04 N -3.437700 -1.306900 0.000000 N 3.677000 -1.016300 -3.9999999E-04 C 0.1016000 -0.2099000 8.9999998E-04 C -1.023200 -1.034800 3.0000001E-04 C -2.300000 -0.4731000 -5.0000002E-04 C -5.0400000E-02 1.176600 6.9999998E-04 C -2.451900 0.9135000 -6.9999998E-04 C -1.327200 1.738400 9.9999997E-05 C 2.621000 -0.1148000 -1.9999999E-04 H -0.9062000 -2.116600 3.0000001E-04 H 0.7714000 1.878900 1.1000000E-03 H -3.441500 1.363300 -1.1000000E-03 H -1.446800 2.818000 0.000000 H 1.414500 -1.787700 0.000000 H -4.363500 -0.8998000 -2.4999999E-03 H -3.328700 -2.312300 -1.7000000E-03 H 4.639600 -0.6960000 -6.9999998E-04 H 3.523000 -2.018900 -3.0000001E-04 %chk=000108806-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108806 0 1 O 2.869127 1.078730 0.000165 N 1.392593 -0.776951 -0.000115 N -3.439368 -1.331440 -0.000434 N 3.717101 -1.086545 0.000116 C 0.115369 -0.144686 -0.000248 C -1.013573 -1.006296 -0.000459 C -2.332028 -0.477635 -0.000380 C -0.057156 1.265244 -0.000042 C -2.507173 0.937594 -0.000131 C -1.374512 1.774026 0.000002 C 2.659432 -0.169249 0.000148 H -0.871184 -2.097070 -0.000578 H 0.816361 1.917765 0.000073 H -3.517647 1.363684 -0.000077 H -1.516317 2.861562 0.000157 H 1.365825 -1.798342 -0.000222 H -4.381233 -0.952436 -0.001318 H -3.326115 -2.340260 -0.001631 H 4.653676 -0.690351 0.000159 H 3.608623 -2.098345 0.000115