%chk=000026500.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000026500 0 1 N 2.419800 -9.3900003E-02 -0.2936000 N -1.212000 0.6293000 0.1149000 N -3.520000 0.7192000 0.2996000 N -2.612000 -1.262400 -0.3665000 C 1.215100 0.6837000 -5.7000001E-03 C -2.8400000E-02 -0.1699000 -0.2094000 C 2.483800 -1.274500 0.5672000 C 3.614700 0.7311000 -0.1193000 C -2.360800 3.7500001E-02 1.2700000E-02 H 1.161100 1.548700 -0.6794000 H 1.231300 1.081100 1.018400 H -7.4199997E-02 -0.5155000 -1.249800 H -2.7100001E-02 -1.038500 0.4565000 H 1.770600 -2.045200 0.2590000 H 2.328900 -1.034100 1.625500 H 3.465700 -1.756200 0.4801000 H 4.514900 0.1690000 -0.3917000 H 3.727200 1.084400 0.9122000 H 3.580300 1.603700 -0.7811000 H -3.497700 1.689600 0.5936000 H -4.428700 0.2752000 0.2253000 H -3.560300 -1.619600 -0.4103000 H -1.870400 -1.906700 -0.6166000 %chk=000026500-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000026500 0 1 N 2.409612 -0.178928 -0.144423 N -1.292815 0.419585 0.382606 N -3.595856 0.856640 0.196297 N -2.790327 -1.150165 -0.720602 C 1.149024 0.501289 0.243187 C -0.103569 -0.360225 -0.015872 C 2.805741 -1.246542 0.796478 C 3.514250 0.774253 -0.371774 C -2.477338 0.034696 -0.029540 H 1.050212 1.422096 -0.359891 H 1.146139 0.816809 1.316409 H -0.101909 -0.650718 -1.093057 H -0.034707 -1.302146 0.575051 H 2.003532 -1.998903 0.886705 H 3.033395 -0.862142 1.824742 H 3.707485 -1.759877 0.415899 H 4.404011 0.231872 -0.741225 H 3.815593 1.338058 0.548877 H 3.219022 1.510193 -1.140581 H -3.379813 1.740972 0.654524 H -4.492073 0.422833 0.415250 H -3.611660 -1.188538 -1.320608 H -2.056150 -1.835114 -0.876853