%chk=000058943.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000058943 0 1 N -2.026500 -1.883500 9.6000001E-02 N 2.878200 0.6725000 -2.4499999E-02 C -0.7603000 -6.2100001E-02 -0.1421000 C -2.127800 0.2982000 -0.2999000 C -0.7245000 -1.436200 0.1053000 C 0.4542000 0.6509000 -0.1861000 C 1.656700 -3.5500001E-02 1.8500000E-02 C -2.654600 1.649800 -0.5778000 C -2.881700 -0.8427000 -0.1481000 C 0.4700000 -2.135500 0.3119000 C 1.662100 -1.407300 0.2636000 C -2.965100 2.448700 0.6903000 C 4.091600 1.2700000E-02 -0.4605000 C 2.927700 2.069800 0.3535000 H 0.4315000 1.717100 -0.3893000 H -1.940800 2.215500 -1.188400 H -3.570700 1.573400 -1.177000 H -3.949100 -1.009000 -0.1912000 H -2.309100 -2.841800 0.2477000 H 0.4745000 -3.202900 0.5057000 H 2.588000 -1.950000 0.4371000 H -3.713400 1.936800 1.304700 H -3.355000 3.437300 0.4285000 H -2.065000 2.585500 1.299100 H 3.911200 -0.6255000 -1.333000 H 4.516100 -0.5935000 0.3466000 H 4.853000 0.7426000 -0.7577000 H 2.576200 2.706900 -0.4649000 H 3.952000 2.377600 0.5925000 H 2.324800 2.266700 1.247200 %chk=000058943-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000058943 0 1 N -2.076709 -2.001101 -0.096571 N 2.854684 0.709333 -0.002062 C -0.809732 -0.095531 -0.167025 C -2.210964 0.278147 -0.302293 C -0.756820 -1.525876 -0.040732 C 0.392697 0.657707 -0.155662 C 1.642809 -0.010322 -0.016700 C -2.762305 1.677753 -0.437085 C -2.944014 -0.909853 -0.256032 C 0.470560 -2.204873 0.097855 C 1.655379 -1.447265 0.110150 C -2.697243 2.493141 0.883592 C 4.132898 0.005240 0.119456 C 2.831688 2.164775 -0.152587 H 0.347868 1.745361 -0.258714 H -2.201562 2.225043 -1.222155 H -3.813509 1.633567 -0.781806 H -4.021259 -1.054343 -0.326552 H -2.356787 -2.976831 -0.042390 H 0.518388 -3.295931 0.192733 H 2.607136 -1.974348 0.217582 H -3.303878 2.009265 1.670160 H -3.076133 3.521975 0.735297 H -1.659510 2.557503 1.257321 H 4.303585 -0.704633 -0.717949 H 4.205283 -0.568574 1.067405 H 4.955887 0.738146 0.110097 H 2.378677 2.476747 -1.118252 H 3.861277 2.556242 -0.119850 H 2.255812 2.656036 0.660471