%chk=000154818.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000154818 0 1 N 2.575200 9.0300001E-02 0.2802000 N 3.275900 -0.9372000 0.2374000 N 3.920400 -1.877800 0.2051000 C -5.0799999E-02 1.506700 0.4236000 C 0.9769000 1.653100 -0.7217000 C -1.055400 0.3915000 0.1900000 C -0.7718000 2.842100 0.6492000 C 1.849500 0.4189000 -0.9475000 C -1.531500 -0.3194000 1.274500 C -1.465200 0.1182000 -1.100600 C -2.453700 -1.343700 1.059900 C -2.387600 -0.9059000 -1.315200 C -2.882000 -1.636800 -0.2349000 H 0.5058000 1.281800 1.343500 H 0.5047000 1.951800 -1.664200 H 1.646100 2.485900 -0.4624000 H -1.346400 3.141100 -0.2348000 H -5.4600000E-02 3.639000 0.8725000 H -1.469700 2.775800 1.491300 H 2.567400 0.6379000 -1.747700 H 1.250900 -0.4371000 -1.276900 H -1.205400 -9.7000003E-02 2.286000 H -1.127500 0.6784000 -1.964300 H -2.839200 -1.912400 1.901100 H -2.726000 -1.130600 -2.322500 H -3.601400 -2.433200 -0.4017000 %chk=000154818-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000154818 0 1 N 2.578656 0.133425 0.500038 N 3.363150 -0.843877 0.664099 N 4.131547 -1.689257 0.997234 C -0.057479 1.565649 0.344207 C 1.040225 1.578954 -0.759023 C -1.073007 0.441065 0.121440 C -0.742591 2.952581 0.438158 C 1.869168 0.288067 -0.821763 C -1.184586 -0.625565 1.049448 C -1.923232 0.431986 -1.016792 C -2.119846 -1.668636 0.853869 C -2.858124 -0.607123 -1.217849 C -2.961060 -1.663244 -0.281722 H 0.457714 1.372074 1.305088 H 0.571410 1.732749 -1.751141 H 1.718696 2.435149 -0.581407 H -1.241911 3.223325 -0.511142 H 0.000107 3.740046 0.665063 H -1.508505 2.961426 1.233753 H 2.612140 0.344328 -1.642570 H 1.211624 -0.586238 -0.998799 H -0.532916 -0.635968 1.931878 H -1.861802 1.245865 -1.750420 H -2.190289 -2.482018 1.585159 H -3.507409 -0.593983 -2.100988 H -3.687081 -2.469380 -0.435919