%chk=000108770.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108770 0 1 O -1.305100 -1.483400 -5.2700002E-02 O -3.519100 -2.049300 -7.4900001E-02 O -5.178600 -0.1843000 0.6006000 O -4.773600 1.783600 -0.4921000 N 3.419700 -0.3133000 -6.4400002E-02 C 2.073400 6.2799998E-02 -3.5900000E-02 C 3.764800 -1.703100 -0.3462000 C 1.045800 -0.9089000 -2.5599999E-02 C 4.442400 0.7052000 -0.2847000 C 1.704900 1.429200 2.1199999E-02 C 1.382700 -2.380700 -6.9700003E-02 C 2.814800 -2.641500 0.3812000 C 4.105100 1.973800 0.4848000 C 2.756600 2.512800 2.5200000E-02 C -0.2963000 -0.4929000 -2.2900000E-02 C 0.3519000 1.810000 2.7799999E-02 C -0.6551000 0.8484000 3.5000001E-03 C -2.064300 1.211000 5.7999999E-03 C -3.008500 0.2635000 -1.8400000E-02 C -2.661700 -1.173200 -5.0200000E-02 C -4.399900 0.7303000 -1.2500000E-02 H 4.789900 -1.910600 -1.7700000E-02 H 3.727500 -1.880700 -1.428300 H 4.525400 0.9179000 -1.357800 H 5.418700 0.3359000 5.0099999E-02 H 0.7070000 -2.949100 0.5797000 H 1.244500 -2.737600 -1.097600 H 2.897100 -2.482800 1.464400 H 3.084000 -3.685000 0.1842000 H 4.882100 2.730700 0.3310000 H 4.071200 1.755200 1.560100 H 2.842200 2.917400 -0.9906000 H 2.455600 3.331200 0.6897000 H 9.5399998E-02 2.867700 5.0099999E-02 H -2.306500 2.269100 3.4200002E-02 H -6.120100 9.0200000E-02 0.6259000 %chk=000108770-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108770 0 1 O -1.271941 -1.495161 -0.021521 O -3.450421 -2.219806 0.060143 O -5.437404 -0.274695 0.183593 O -4.766898 1.941513 0.211872 N 3.412006 -0.295388 -0.141786 C 2.071981 0.081314 -0.094935 C 3.793569 -1.711457 -0.344876 C 1.045945 -0.922795 -0.084285 C 4.502837 0.701990 -0.215053 C 1.714644 1.488583 -0.058130 C 1.379282 -2.404581 -0.125203 C 2.815428 -2.660360 0.369014 C 4.119943 2.013794 0.490190 C 2.804946 2.549311 -0.107788 C -0.293112 -0.502457 -0.028994 C 0.371129 1.849074 0.008411 C -0.674153 0.876580 0.021917 C -2.057974 1.190940 0.083122 C -3.064546 0.216573 0.098739 C -2.732552 -1.210255 0.051379 C -4.457862 0.717553 0.168407 H 4.818594 -1.844238 0.047735 H 3.821504 -1.947929 -1.431341 H 4.763964 0.909355 -1.276815 H 5.397772 0.256937 0.259118 H 0.643392 -2.963174 0.478122 H 1.264106 -2.783228 -1.161326 H 2.878072 -2.492687 1.460455 H 3.111913 -3.706583 0.172684 H 4.937597 2.746122 0.362454 H 3.997860 1.828413 1.573678 H 2.987883 2.854094 -1.159337 H 2.472128 3.456405 0.428055 H 0.100965 2.911815 0.044602 H -2.382051 2.237915 0.123510 H -6.324647 0.176013 0.231487