%chk=000028356.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000028356 1 1 O -3.355500 1.004900 -0.7528000 N 1.240400 7.0699997E-02 -0.3780000 N 2.910200 -1.472200 0.2027000 N -2.354400 -0.8054000 0.3167000 C -7.8400001E-02 0.1115000 0.3517000 C 2.281600 0.7114000 0.3912000 C 1.155900 0.6496000 -1.767700 C 1.782700 -1.325400 -0.4167000 C -1.088600 -0.7662000 -0.3637000 C 3.195100 -0.2227000 0.6859000 C 2.306500 2.148800 0.7709000 C -3.386700 8.8000000E-02 6.3699998E-02 C -4.608800 -0.1929000 0.8961000 H 8.0399998E-02 -0.2396000 1.380200 H -0.4189000 1.153700 0.3900000 H 2.167700 0.7474000 -2.177800 H 0.5825000 -2.7200000E-02 -2.407100 H 0.6725000 1.630100 -1.715900 H 1.285700 -2.149100 -0.9503000 H -1.276800 -0.4162000 -1.383000 H -0.7651000 -1.808500 -0.4197000 H 4.099700 -5.9000000E-02 1.254400 H 2.285400 2.785800 -0.1184000 H 3.212200 2.395500 1.334800 H 1.446200 2.400100 1.398300 H -2.489700 -1.526300 1.019800 H -5.297700 0.6541000 0.8361000 H -5.106900 -1.090500 0.5199000 H -4.329500 -0.3426000 1.943000 %chk=000028356-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000028356 1 1 O -2.278570 0.971795 -0.680297 N 1.212742 -0.055493 -0.371831 N 3.278381 -1.180547 -0.267068 N -2.345783 -1.009402 0.491648 C 0.059037 -0.436218 0.604498 C 2.228413 0.813792 0.366074 C 0.708203 0.638096 -1.657100 C 2.064599 -1.284807 -0.707224 C -1.017457 -1.371154 -0.017642 C 3.393868 0.101568 0.390766 C 1.847114 2.160264 0.880546 C -2.936410 0.180372 0.070719 C -4.349144 0.452979 0.541389 H 0.544301 -0.884459 1.488328 H -0.412169 0.518407 0.880490 H 1.549028 1.197071 -2.093262 H 0.362083 -0.124478 -2.368840 H -0.141623 1.286480 -1.392814 H 1.621403 -2.108185 -1.267781 H -1.027215 -1.266978 -1.117920 H -0.815395 -2.425931 0.229272 H 4.346828 0.394669 0.826723 H 1.420121 2.804042 0.089418 H 2.739991 2.666332 1.280737 H 1.103743 2.105590 1.698251 H -2.860990 -1.667154 1.078240 H -4.399548 1.455024 0.999236 H -5.023697 0.467929 -0.332855 H -4.724152 -0.291805 1.262597