%chk=000113179.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113179 0 1 F -0.9316000 3.472900 6.4599998E-02 F 0.3357000 2.634900 1.612300 F 0.9354000 2.496300 -0.4733000 O -0.8896000 -3.627300 0.4823000 O 0.9700000 -2.564800 0.9641000 O -4.804300 0.9618000 -0.9238000 O -4.830400 -1.230200 -0.8061000 N 1.166100 -0.1028000 0.8811000 N -0.2330000 -2.568000 0.6135000 N -4.233900 -0.1320000 -0.6943000 C -0.1928000 -0.1161000 0.4853000 C -0.8482000 1.087400 0.2251000 C -0.8764000 -1.324900 0.3546000 C 2.294700 -0.1576000 2.0700000E-02 C -2.187200 1.082200 -0.1657000 C -2.215400 -1.330200 -3.5900000E-02 C -2.870800 -0.1267000 -0.2962000 C 1.470600 0.2501000 2.275100 C -0.1426000 2.398200 0.3563000 C 2.107500 -0.2326000 -1.354600 C 3.574600 -0.1348000 0.5623000 C 3.215600 -0.2853000 -2.200100 C 4.682700 -0.1875000 -0.2831000 C 4.503400 -0.2628000 -1.664300 H -2.686300 2.027000 -0.3656000 H -2.752500 -2.270200 -0.1392000 H 0.5491000 0.3921000 2.854600 H 2.040800 1.182800 2.355400 H 2.008700 -0.5614000 2.779300 H 1.121000 -0.2520000 -1.808000 H 3.785500 -9.0899996E-02 1.625100 H 3.076200 -0.3441000 -3.275600 H 5.685900 -0.1732000 0.1331000 H 5.366200 -0.3047000 -2.322500 %chk=000113179-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000113179 0 1 F -1.562592 3.628953 0.259911 F -0.708253 2.987322 2.248945 F 0.620780 3.081333 0.407722 O 0.086837 -3.231920 -0.669922 O 1.037496 -2.410251 1.234979 O -4.984465 0.598720 -0.666761 O -4.511946 -1.581467 -1.177471 N 1.272959 0.377786 0.852427 N 0.253888 -2.310817 0.216176 N -4.179282 -0.409440 -0.747057 C -0.075639 0.202226 0.508157 C -1.038416 1.278695 0.517600 C -0.573150 -1.079678 0.081959 C 2.312995 -0.138781 0.013466 C -2.373125 1.062790 0.128195 C -1.885722 -1.291158 -0.356073 C -2.782220 -0.208264 -0.317984 C 1.639182 0.895403 2.189984 C -0.667833 2.707597 0.844692 C 2.128178 -0.166289 -1.397311 C 3.552038 -0.564980 0.560219 C 3.157448 -0.633539 -2.236993 C 4.581127 -1.015802 -0.292806 C 4.391447 -1.060916 -1.692055 H -3.096390 1.882195 0.114258 H -2.217415 -2.281355 -0.679748 H 0.766805 1.349745 2.677533 H 2.437506 1.651217 2.107914 H 1.979607 0.058779 2.829337 H 1.197368 0.207293 -1.837252 H 3.711721 -0.570462 1.641343 H 3.001554 -0.645699 -3.320949 H 5.530303 -1.346413 0.142280 H 5.191908 -1.417223 -2.348214