%chk=000081331.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081331 1 1 N -0.9211000 -0.7901000 -3.6300000E-02 C -1.580900 0.3737000 3.9900001E-02 C 0.4155000 -0.8534000 -0.1082000 C 1.168100 0.3123000 -0.1059000 C -0.8802000 1.571300 4.6200000E-02 C 0.5091000 1.535500 -2.7700000E-02 C -1.665300 -2.049800 -4.3299999E-02 C -3.069700 0.3736000 0.1184000 C 2.617200 0.2541000 -0.1843000 C 3.407400 -0.7272000 0.3013000 H 0.8536000 -1.841900 -0.1787000 H -1.391700 2.526700 0.1076000 H 1.063400 2.470800 -2.2000000E-02 H -0.9831000 -2.902400 -0.1024000 H -2.234900 -2.126200 0.8865000 H -2.318100 -2.066100 -0.9200000 H -3.506700 -9.5200002E-02 -0.7683000 H -3.411900 -0.1476000 1.017500 H -3.466700 1.393700 0.1690000 H 3.103000 1.104600 -0.6577000 H 4.485000 -0.6552000 0.1957000 H 3.011300 -1.597200 0.8127000 %chk=000081331-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000081331 1 1 N -0.942200 -0.798961 0.033251 C -1.641483 0.403224 0.019490 C 0.433340 -0.843077 0.021826 C 1.222759 0.326103 -0.002505 C -0.884012 1.594551 -0.009211 C 0.519949 1.566730 -0.021277 C -1.698147 -2.089351 0.056261 C -3.145936 0.394953 0.034328 C 2.697834 0.308740 -0.013731 C 3.503878 -0.785279 0.058382 H 0.878181 -1.839633 0.029384 H -1.420078 2.546147 -0.021879 H 1.083307 2.505312 -0.043665 H -0.988334 -2.927485 0.081188 H -2.338235 -2.134950 0.951223 H -2.323902 -2.175367 -0.846135 H -3.569582 -0.138875 -0.836602 H -3.550931 -0.086381 0.944121 H -3.523986 1.427385 0.008088 H 3.167767 1.298210 -0.084366 H 4.592034 -0.674507 0.041577 H 3.131077 -1.813490 0.140249