%chk=000084957.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000084957 0 1 N -0.2127000 -0.6331000 -0.2254000 N 1.596700 0.8800000 -0.5622000 C -1.187600 0.2497000 -0.8374000 C -2.403400 -0.5549000 -1.307900 C -1.589800 1.352500 0.1470000 C -3.257500 -1.068800 -0.1486000 C -2.446700 0.8319000 1.301000 C -3.660800 5.8100000E-02 0.7969000 C 1.127800 -0.3189000 -9.7199999E-02 C 1.977300 -1.251100 0.5142000 C 3.327700 -0.9493000 0.6506000 C 2.915200 1.138100 -0.4121000 C 3.813700 0.2659000 0.1812000 H -0.7433000 0.7116000 -1.728700 H -2.083500 -1.403000 -1.925400 H -3.026800 8.4399998E-02 -1.946200 H -2.165300 2.113200 -0.3966000 H -0.7108000 1.864100 0.5553000 H -2.714000 -1.840300 0.4091000 H -4.158500 -1.549600 -0.5471000 H -2.780000 1.674400 1.917700 H -1.842900 0.1855000 1.949500 H -4.340200 0.7447000 0.2768000 H -4.214700 -0.3545000 1.647600 H -0.5606000 -1.375400 0.3724000 H 1.598100 -2.200900 0.8804000 H 4.000400 -1.659800 1.121600 H 3.243600 2.098800 -0.7945000 H 4.862600 0.5224000 0.2767000 %chk=000084957-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000084957 0 1 N -0.211365 -0.686133 -0.260149 N 1.550295 0.861518 -0.502036 C -1.195231 0.233706 -0.873507 C -2.446778 -0.568148 -1.308837 C -1.594838 1.386993 0.089775 C -3.288863 -1.067783 -0.105751 C -2.412353 0.879232 1.298377 C -3.667899 0.097834 0.840167 C 1.126411 -0.377264 -0.081232 C 2.024805 -1.323653 0.513490 C 3.371889 -0.966477 0.676670 C 2.866754 1.175301 -0.332454 C 3.818334 0.313017 0.249543 H -0.707159 0.683720 -1.758928 H -2.146617 -1.414383 -1.957990 H -3.077395 0.101836 -1.925744 H -2.198595 2.119020 -0.486152 H -0.677077 1.907378 0.414539 H -2.727733 -1.834850 0.470262 H -4.200347 -1.573638 -0.478813 H -2.705963 1.730482 1.942248 H -1.773505 0.217783 1.919145 H -4.350760 0.789522 0.304189 H -4.225410 -0.288874 1.715387 H -0.536917 -1.596816 0.062165 H 1.660328 -2.307345 0.832156 H 4.072899 -1.675601 1.131078 H 3.157189 2.173549 -0.682787 H 4.859899 0.625775 0.363888