%chk=000108434.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108434 0 1 O -3.039700 1.380000 -1.254100 O -1.707700 1.987900 1.152000 N -0.9994000 -1.317500 0.2379000 C -1.359100 -0.2618000 -0.6808000 C -2.703200 0.3642000 -0.3084000 C 0.3286000 -1.860900 -7.5099997E-02 C 1.387200 -0.7962000 -6.8599999E-02 C -1.995000 -2.397000 0.2184000 C -2.715300 0.9834000 1.085900 C 1.677500 -0.1081000 -1.240800 C 2.066600 -0.5094000 1.109600 C 2.661300 0.8809000 -1.234900 C 3.050400 0.4796000 1.115600 C 3.347700 1.174600 -5.6800000E-02 H -1.403700 -0.6179000 -1.719500 H -0.6493000 0.5698000 -0.6786000 H -3.510800 -0.3703000 -0.3845000 H 0.3279000 -2.370500 -1.049100 H 0.6001000 -2.628300 0.6623000 H -2.938700 -2.093200 0.6807000 H -1.647100 -3.246500 0.8189000 H -2.191600 -2.763400 -0.7957000 H -2.529400 0.2428000 1.869100 H -3.676800 1.469400 1.281400 H 1.162400 -0.3348000 -2.170300 H 1.842100 -1.042700 2.029200 H -3.912600 1.733000 -1.011300 H 2.895000 1.419900 -2.148300 H 3.584500 0.7089000 2.033000 H 4.114100 1.944100 -5.2299999E-02 H -1.742300 2.367100 2.046700 %chk=000108434-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108434 0 1 O -3.427195 1.388283 -0.744597 O -1.303300 1.985713 1.049646 N -1.099261 -1.515142 0.012905 C -1.781165 -0.434813 -0.744037 C -2.849578 0.319552 0.087035 C 0.265290 -1.808257 -0.498264 C 1.236158 -0.654477 -0.269048 C -1.922583 -2.736277 0.139442 C -2.278586 0.927212 1.381861 C 2.071893 -0.186142 -1.311198 C 1.332912 -0.044257 1.010313 C 2.990443 0.866573 -1.084767 C 2.246161 1.010156 1.239417 C 3.079029 1.469358 0.190208 H -2.268863 -0.811470 -1.674094 H -1.019093 0.301125 -1.062758 H -3.700566 -0.340711 0.335199 H 0.261941 -2.078037 -1.584664 H 0.627152 -2.703429 0.046607 H -2.896662 -2.491983 0.596607 H -1.413853 -3.463698 0.797351 H -2.123989 -3.234252 -0.841676 H -1.823915 0.138457 2.010714 H -3.080206 1.441716 1.936367 H 2.001525 -0.643771 -2.305855 H 0.693735 -0.416191 1.819995 H -2.795983 2.155840 -0.671195 H 3.628913 1.218662 -1.902793 H 2.310578 1.469922 2.231983 H 3.784743 2.288795 0.365259 H -0.421976 1.568643 0.855639