%chk=000039677.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000039677 0 1 N -0.1107000 0.7982000 1.9999999E-04 N -2.322000 0.6195000 1.9999999E-04 N 1.136600 1.318000 0.000000 N 1.923200 -0.9549000 -9.9999997E-05 N -1.323600 2.812200 -1.9999999E-04 N 3.413700 0.8777000 0.000000 C -0.3829000 -0.5373000 1.9999999E-04 C -1.751900 -0.6323000 0.000000 C 0.7182000 -1.438600 1.9999999E-04 C -1.306800 1.458500 0.000000 C -2.606900 -1.829500 -3.0000001E-04 C 0.5003000 -2.922100 -9.9999997E-05 C 2.112800 0.4306000 -1.9999999E-04 H -2.423200 -2.439700 0.8891000 H -3.666700 -1.554300 -6.9999998E-04 H -2.422600 -2.439600 -0.8895000 H -5.7799999E-02 -3.216400 0.8928000 H 1.460500 -3.446600 1.9999999E-04 H -5.7300001E-02 -3.216200 -0.8933000 H -0.4744000 3.368700 -6.0000003E-04 H -2.195100 3.332300 -6.0000003E-04 H 4.192600 0.2283000 6.9999998E-04 H 3.628800 1.868700 7.9999998E-04 %chk=000039677-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000039677 0 1 N -0.102320 0.823061 0.000025 N -2.349704 0.640187 -0.000377 N 1.177796 1.401610 0.000222 N 1.997501 -0.944310 0.000218 N -1.339069 2.878930 -0.000117 N 3.458520 0.878223 0.000224 C -0.397828 -0.585449 -0.000086 C -1.817878 -0.646237 -0.000215 C 0.739516 -1.445060 -0.000007 C -1.285749 1.507372 -0.000157 C -2.721714 -1.847785 -0.000256 C 0.588042 -2.947001 -0.000042 C 2.145810 0.457960 0.000350 H -2.567766 -2.484559 0.891065 H -3.767647 -1.501590 -0.000715 H -2.567104 -2.484993 -0.891147 H 0.027608 -3.289965 0.889136 H 1.584756 -3.413204 0.000483 H 0.028597 -3.289972 -0.889846 H -0.468558 3.404520 -0.000057 H -2.242879 3.338467 -0.000407 H 4.182817 0.166245 0.000259 H 3.682054 1.868752 0.000246