%chk=000145206.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000145206 0 1 S -4.6200000E-02 -1.647500 -0.9843000 S 4.6100002E-02 -1.621700 1.026100 N -2.868400 0.6501000 -3.1800002E-02 N 2.868600 0.6507000 1.5100000E-02 N -1.221100 -0.7040000 -1.101200 N 1.220800 -0.6753000 1.119000 N 1.256400 -0.5622000 -1.209900 N -1.256500 -0.5311000 1.224000 C -1.795300 -0.1888000 8.7499999E-02 C 1.795200 -0.1909000 -8.2500003E-02 C -3.489800 1.227000 1.141700 C -3.252000 1.181700 -1.322600 C 3.490200 1.196900 -1.172800 C 3.252100 1.215200 1.291900 H -2.903000 2.078200 1.501600 H -3.573500 0.4934000 1.950900 H -4.505800 1.576700 0.9290000 H -2.442500 1.783500 -1.750100 H -4.134100 1.827600 -1.252200 H -3.505500 0.3766000 -2.020900 H 3.573800 0.4425000 -1.962900 H 4.506100 1.552100 -0.9693000 H 2.903300 2.038500 -1.554900 H 4.134500 1.858800 1.205000 H 3.505300 0.4284000 2.010800 H 2.442800 1.828200 1.703500 %chk=000145206-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000145206 0 1 S 0.059180 -1.458549 -1.469029 S -0.059258 -1.420028 1.506441 N -2.950208 0.789653 -0.128003 N 2.949896 0.793074 0.107591 N -1.434179 -0.573805 -1.286351 N 1.433637 -0.539684 1.300787 N 1.533378 -0.573250 -1.166638 N -1.533874 -0.543420 1.181212 C -1.891342 -0.095777 -0.074749 C 1.890674 -0.093060 0.077249 C -3.656711 1.189462 1.097895 C -3.556368 1.159890 -1.415143 C 3.657101 1.160086 -1.128128 C 3.556613 1.195803 1.384663 H -3.911240 2.263556 1.039484 H -3.004472 1.002754 1.964383 H -4.590602 0.608211 1.235154 H -2.841157 0.943329 -2.222973 H -3.804111 2.237166 -1.406714 H -4.482942 0.582501 -1.607539 H 3.004937 0.951555 -1.989668 H 4.590419 0.574456 -1.249783 H 3.912759 2.235057 -1.097614 H 3.801246 2.273301 1.350468 H 4.485121 0.625792 1.589382 H 2.843000 0.996529 2.198322