%chk=000009197.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000009197 0 1 S -1.662000 -2.456600 -6.9999998E-04 N 0.6135000 1.400600 -3.9999999E-04 C 0.5718000 -0.9237000 -9.9999997E-05 C -0.1798000 0.3547000 -6.0000003E-04 C 1.969300 -0.5277000 1.9999999E-04 C -1.641300 0.3745000 -3.0000001E-04 C 1.930900 0.8772000 -1.9999999E-04 C -2.377000 -0.8192000 -9.9999997E-05 C 3.1500001E-02 -2.140500 -1.9999999E-04 C 3.161900 -1.225800 6.9999998E-04 C -2.294400 1.614700 9.9999997E-05 C 3.104600 1.612500 -3.9999999E-04 C -3.778900 -0.7408000 3.9999999E-04 C 4.346600 -0.4861000 6.0000003E-04 C 4.318600 0.9197000 0.000000 C -3.686600 1.671500 3.0000001E-04 C -4.428600 0.4949000 6.0000003E-04 H 0.6772000 -3.013000 9.9999997E-05 H 3.189700 -2.309600 1.1000000E-03 H -1.736700 2.547500 0.000000 H 3.089200 2.697100 -6.9999998E-04 H -4.387900 -1.642800 5.0000002E-04 H 5.303200 -1.001900 1.0000000E-03 H 5.253900 1.473200 -9.9999997E-05 H -4.191400 2.633100 5.0000002E-04 H -5.514000 0.5368000 8.9999998E-04 %chk=000009197-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000009197 0 1 S -1.740379 -2.507801 0.000374 N 0.615245 1.399802 0.000085 C 0.584633 -0.959055 0.000228 C -0.184205 0.313785 0.000113 C 1.991230 -0.541422 0.000150 C -1.639655 0.366362 0.000133 C 1.952201 0.898456 0.000054 C -2.441365 -0.815887 0.000233 C 0.019419 -2.208241 0.000315 C 3.222917 -1.226134 0.000164 C -2.311844 1.625864 0.000046 C 3.141493 1.654197 -0.000025 C -3.856467 -0.741959 0.000236 C 4.415370 -0.463179 0.000072 C 4.372907 0.957773 -0.000021 C -3.711601 1.702921 0.000041 C -4.490202 0.514036 0.000139 H 0.602025 -3.134511 0.000355 H 3.271237 -2.321549 0.000237 H -1.683764 2.522364 -0.000037 H 3.099709 2.747690 -0.000087 H -4.453671 -1.660489 0.000308 H 5.385361 -0.972509 0.000071 H 5.312616 1.521895 -0.000079 H -4.205916 2.679990 -0.000041 H -5.583994 0.567902 0.000136