%chk=000078755.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000078755 0 1 S 1.274900 0.3286000 0.7637000 N -1.642100 1.815100 0.2226000 N -0.4568000 -1.666100 0.1841000 N -3.598900 0.8914000 -0.3128000 N -2.825800 -1.413300 -0.3409000 C 3.837300 -0.6144000 0.1695000 C 4.287100 0.7103000 -0.4525000 C 2.349500 -0.9086000 -2.1199999E-02 C -1.411400 0.4706000 0.1552000 C -0.3063000 -0.3334000 0.3386000 C 5.790600 0.9006000 -0.3205000 C -2.641000 -8.0899999E-02 -0.1788000 C -2.966100 2.018300 -6.5200001E-02 C -1.691200 -2.118200 -0.1419000 H 4.083900 -0.6233000 1.238800 H 4.407200 -1.434200 -0.2862000 H 4.015000 0.7333000 -1.514100 H 3.789900 1.557900 3.0400001E-02 H 2.118000 -0.9556000 -1.091200 H 2.138700 -1.892300 0.4122000 H 6.093300 1.851200 -0.7708000 H 6.334300 9.7000003E-02 -0.8274000 H 6.093600 0.9110000 0.7314000 H -0.9630000 2.531200 0.4440000 H -3.401900 3.007100 -7.7000000E-02 H -1.779300 -3.193000 -0.2588000 %chk=000078755-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000078755 0 1 S 1.120021 0.661334 -1.479331 N -1.789241 1.880494 -0.248281 N -0.024846 -1.418537 -0.035465 N -3.357343 0.807779 1.036276 N -2.167725 -1.374550 1.163179 C 3.446197 -0.662611 -0.424322 C 4.344969 0.592996 -0.442911 C 2.420383 -0.728974 -1.565085 C -1.302907 0.587747 -0.049785 C -0.150342 -0.131181 -0.440728 C 5.364914 0.605769 0.715786 C -2.294134 -0.073716 0.756101 C -3.016949 1.952180 0.422390 C -1.025982 -1.971155 0.735628 H 2.917911 -0.741587 0.544961 H 4.084968 -1.568299 -0.504897 H 4.881089 0.645197 -1.412873 H 3.705726 1.496500 -0.386541 H 2.883102 -0.600213 -2.558701 H 1.836332 -1.663107 -1.531376 H 5.999264 1.510330 0.684548 H 6.031937 -0.275956 0.670830 H 4.850926 0.586977 1.695160 H -1.337513 2.626220 -0.776940 H -3.618375 2.859022 0.430910 H -0.872883 -3.012359 1.032667