%chk=000057436.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000057436 0 1 O 0.1973000 1.6899999E-02 -0.4860000 O -1.687500 -1.605900 1.614000 O 0.6983000 -0.1529000 1.754400 N -3.833900 1.107100 -0.4490000 C -1.189700 -0.1346000 -0.2020000 C -1.659500 0.9858000 0.7259000 C -1.966000 -0.1140000 -1.517800 C -3.183100 1.018600 0.8653000 C -3.478400 -4.0300000E-02 -1.295100 C -1.277100 -1.480200 0.4613000 C -5.285800 1.198200 -0.2953000 C -0.8405000 -2.666600 -0.3549000 C 1.032000 -1.1300000E-02 0.5882000 C 2.443600 0.1576000 0.1599000 C 3.333700 0.7653000 1.021600 C 2.821700 -0.2987000 -1.086200 C 4.659900 0.9240000 0.6195000 C 4.148000 -0.1402000 -1.488300 C 5.067000 0.4712000 -0.6354000 H -1.311900 1.949800 0.3282000 H -1.253600 0.9305000 1.739700 H -1.726200 -0.9726000 -2.154800 H -1.648300 0.7618000 -2.101700 H -3.541000 0.1428000 1.420300 H -3.446300 1.901100 1.461800 H -3.960300 6.1099999E-02 -2.275300 H -3.836900 -0.9797000 -0.8544000 H -5.769500 1.314700 -1.271600 H -5.555700 2.081100 0.2948000 H -5.707000 0.3132000 0.1952000 H -1.659400 -2.992100 -1.000800 H 4.3699998E-02 -2.442300 -0.9549000 H -0.5814000 -3.486500 0.3219000 H 3.027800 1.124800 1.999700 H 2.129200 -0.7896000 -1.763400 H 5.375500 1.400500 1.283100 H 4.466100 -0.4955000 -2.464100 H 6.099800 0.5940000 -0.9483000 %chk=000057436-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000057436 0 1 O 0.163264 -0.124718 -0.449371 O -2.428371 -1.747973 1.516514 O 0.827973 -0.449923 1.764952 N -3.846551 1.114097 -0.627556 C -1.293350 -0.282978 -0.070135 C -1.750634 0.958310 0.730912 C -2.006459 -0.329403 -1.447722 C -3.284631 1.140196 0.747471 C -3.531887 -0.164364 -1.305047 C -1.507540 -1.633251 0.667109 C -5.292536 1.411001 -0.638131 C -0.649359 -2.823010 0.257277 C 1.115960 -0.167883 0.572936 C 2.488564 0.135779 0.074678 C 3.561763 0.071308 1.002002 C 2.740471 0.485402 -1.277965 C 4.876465 0.353445 0.579518 C 4.058327 0.766796 -1.695455 C 5.127073 0.701478 -0.769724 H -1.295529 1.840512 0.242736 H -1.378993 0.892540 1.766987 H -1.765977 -1.269137 -1.978894 H -1.612315 0.512479 -2.045200 H -3.741892 0.355690 1.393669 H -3.514477 2.126050 1.193976 H -3.983509 -0.146604 -2.314470 H -3.967182 -1.042598 -0.762396 H -5.660573 1.438167 -1.679759 H -5.469825 2.404089 -0.187648 H -5.903800 0.662658 -0.072930 H -1.252610 -3.744036 0.314158 H -0.211336 -2.708234 -0.747677 H 0.180132 -2.919232 0.982252 H 3.342061 -0.198096 2.040392 H 1.905341 0.535142 -1.981893 H 5.703353 0.303809 1.295946 H 4.253933 1.037903 -2.738531 H 6.149256 0.921689 -1.097483