%chk=000032039.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000032039 0 1 O 1.561800 0.4091000 -0.1051000 O 0.4426000 -1.588700 0.1765000 N -3.222500 0.5146000 -0.3601000 C -4.453100 -0.2591000 -0.2781000 C -3.995300 0.5902000 0.8715000 C -2.060400 -0.3476000 -0.1845000 C -0.7769000 0.4761000 -0.2321000 C 0.4508000 -0.3823000 -2.6200000E-02 C 2.812200 -0.2650000 6.9700003E-02 C 3.938700 0.7504000 -4.6200000E-02 C 5.302100 0.1024000 0.1144000 H -4.386400 -1.335200 -0.1826000 H -5.275800 0.1042000 -0.8795000 H -4.510000 1.527200 1.042100 H -3.634600 0.1006000 1.766400 H -2.029800 -1.073700 -1.008800 H -2.077100 -0.9460000 0.7376000 H -0.7911000 1.235500 0.5587000 H -0.6875000 0.9742000 -1.204700 H 2.918000 -1.035300 -0.7032000 H 2.832500 -0.7394000 1.057900 H 3.879200 1.256300 -1.017200 H 3.806700 1.533700 0.7098000 H 5.469100 -0.6565000 -0.6567000 H 6.092300 0.8546000 2.7300000E-02 H 5.395800 -0.3766000 1.094200 %chk=000032039-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000032039 0 1 O 1.547390 0.352487 -0.084945 O 0.543944 -1.736830 -0.326451 N -3.290368 0.301265 -0.494399 C -4.594159 -0.252118 0.019685 C -3.904716 0.888299 0.755327 C -2.094772 -0.560397 -0.281974 C -0.836063 0.320450 -0.336962 C 0.444747 -0.489133 -0.251331 C 2.883667 -0.314463 -0.020037 C 3.928734 0.790461 0.139191 C 5.356293 0.204938 0.222628 H -4.584334 -1.238548 0.504668 H -5.468651 -0.053916 -0.607482 H -4.278264 1.912420 0.659868 H -3.439149 0.649314 1.722572 H -2.062116 -1.306839 -1.094898 H -2.124825 -1.122360 0.682726 H -0.839785 1.078678 0.467520 H -0.832006 0.887580 -1.287778 H 3.030932 -0.899629 -0.946980 H 2.883990 -1.018090 0.833375 H 3.851538 1.486912 -0.716550 H 3.701992 1.374785 1.050483 H 5.609719 -0.369544 -0.687944 H 6.103613 1.010673 0.330626 H 5.463950 -0.472697 1.090163