%chk=000057247.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000057247 0 1 N -0.2700000 -0.8944000 -0.3253000 N -1.622200 0.9845000 -4.6900000E-02 N -3.464500 -0.6295000 0.4322000 C 2.730100 0.1137000 0.3729000 C 1.793100 1.316200 0.4743000 C 2.035000 -1.242900 0.4881000 C 0.7487000 1.355000 -0.6356000 C 1.023300 -1.504300 -0.6236000 C -0.3708000 0.3870000 -0.3445000 C -2.602700 0.1146000 0.2083000 H 3.281800 0.1606000 -0.5744000 H 3.479400 0.1890000 1.170400 H 2.402100 2.226300 0.4130000 H 1.307800 1.323200 1.458000 H 2.810600 -2.017100 0.4381000 H 1.557300 -1.335300 1.471100 H 1.189300 1.128100 -1.612100 H 0.3392000 2.369600 -0.7021000 H 1.400100 -1.199500 -1.606800 H 0.8564000 -2.586000 -0.6877000 H -1.726800 1.993200 -4.0700000E-02 %chk=000057247-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000057247 0 1 N -0.269716 -0.938487 -0.333878 N -1.673153 0.913267 -0.090706 N -3.786259 -0.463138 0.308920 C 2.793983 0.123679 0.333484 C 1.848603 1.337757 0.500951 C 2.123820 -1.262452 0.487075 C 0.711407 1.400414 -0.556531 C 1.042083 -1.580292 -0.578362 C -0.377576 0.353769 -0.330890 C -2.783775 0.164896 0.119599 H 3.272889 0.181257 -0.666890 H 3.612047 0.211700 1.075230 H 2.448065 2.265013 0.414948 H 1.406192 1.334842 1.516439 H 2.909416 -2.040653 0.418651 H 1.666198 -1.358161 1.491605 H 1.150166 1.233884 -1.561756 H 0.274379 2.417548 -0.570662 H 1.436323 -1.303702 -1.583150 H 0.859895 -2.668858 -0.591979 H -1.767786 1.929718 -0.075398