%chk=000107552.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107552 0 1 N -3.756300 -8.0799997E-02 0.3708000 C 2.678900 0.3499000 0.1971000 C 2.124900 -1.046300 0.4855000 C 1.588800 1.418300 0.2949000 C 0.9322000 -1.381500 -0.4113000 C 0.3938000 1.095700 -0.6032000 C -0.1121000 -0.2981000 -0.3381000 C -1.393700 -0.5535000 -3.8500000E-02 C -2.456600 0.4963000 4.3000001E-02 H 3.484900 0.5798000 0.9029000 H 3.118000 0.3676000 -0.8080000 H 1.820600 -1.104700 1.538300 H 2.914800 -1.792000 0.3403000 H 2.005900 2.392800 1.5799999E-02 H 1.253800 1.500900 1.336800 H 0.5238000 -2.355700 -0.1185000 H 1.269500 -1.478200 -1.450800 H 0.7033000 1.158100 -1.654500 H -0.3653000 1.870200 -0.4610000 H -1.684400 -1.585100 0.1506000 H -2.209500 1.228300 0.8191000 H -2.550100 1.020300 -0.9140000 H -3.705900 -0.5741000 1.261100 H -4.021900 -0.7678000 -0.3334000 %chk=000107552-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000107552 0 1 N -3.866790 -0.118533 0.378664 C 2.749508 0.352628 0.187959 C 2.179656 -1.051480 0.501800 C 1.652599 1.437750 0.300311 C 0.968997 -1.380952 -0.415649 C 0.438442 1.111449 -0.616522 C -0.093691 -0.290902 -0.347941 C -1.394580 -0.561521 -0.047423 C -2.542058 0.452390 0.057292 H 3.590363 0.586358 0.869492 H 3.161012 0.356337 -0.843268 H 1.851598 -1.084191 1.560454 H 2.965479 -1.822243 0.379311 H 2.064676 2.430872 0.035264 H 1.306189 1.498425 1.351812 H 0.535792 -2.362568 -0.145977 H 1.342598 -1.465268 -1.459697 H 0.778156 1.173054 -1.673464 H -0.348667 1.875882 -0.488676 H -1.685505 -1.607017 0.145047 H -2.310082 1.212539 0.829981 H -2.641643 1.015457 -0.891896 H -3.912543 -0.554563 1.305849 H -4.232104 -0.743504 -0.347821