%chk=000030706.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000030706 0 1 S 1.296000 -2.399000 0.4012000 O -0.2781000 1.162300 -1.761000 N -2.371600 0.2336000 -0.2469000 C -1.079700 -0.4494000 -0.1538000 C -1.131700 -1.809900 -0.8492000 C -3.2499999E-02 0.4339000 -0.8018000 C 0.2323000 -2.461100 -1.070300 C -2.317000 1.521100 0.4426000 C -3.430900 -0.6038000 0.3123000 C 1.351100 0.4040000 -0.2490000 C 1.969600 -0.7355000 0.3016000 C -3.630200 2.267600 0.3286000 C -3.154800 -0.9550000 1.759700 C 2.042200 1.628500 -0.2852000 C 3.266200 -0.5976000 0.8339000 C 3.329400 1.736100 0.2366000 C 3.939700 0.6242000 0.8007000 H -0.7905000 -0.5563000 0.8978000 H -1.619300 -1.724800 -1.829900 H -1.727300 -2.520800 -0.2638000 H -2.013200 1.448700 1.493000 H -1.578900 2.183100 -2.2100000E-02 H -4.410200 -0.1200000 0.2299000 H -3.574000 -1.516800 -0.2763000 H 8.4600002E-02 -3.514500 -1.332700 H 0.7532000 -2.004200 -1.919200 H -4.008900 2.272500 -0.6993000 H -4.402500 1.865300 0.9913000 H -3.484800 3.313300 0.6235000 H -2.282200 -1.597300 1.905000 H -3.075700 -8.8699996E-02 2.421000 H -4.006100 -1.534900 2.138500 H 1.580500 2.520200 -0.7036000 H 3.780600 -1.449400 1.276400 H 3.850100 2.688700 0.2085000 H 4.941400 0.7030000 1.213100 %chk=000030706-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000030706 0 1 S 1.369155 -2.378171 0.510735 O -0.290052 1.142418 -1.835847 N -2.373324 0.229525 -0.114578 C -1.058137 -0.455545 -0.125183 C -1.120912 -1.845533 -0.821687 C 0.011132 0.398578 -0.860571 C 0.268264 -2.459970 -1.036811 C -2.307451 1.542603 0.585919 C -3.523925 -0.617615 0.291736 C 1.425244 0.393728 -0.326541 C 2.069175 -0.689403 0.342595 C -3.585669 2.387320 0.434245 C -3.517888 -1.149746 1.753330 C 2.147340 1.613099 -0.487556 C 3.369951 -0.516139 0.882299 C 3.431440 1.786107 0.055841 C 4.038840 0.717713 0.761279 H -0.670110 -0.631464 0.910945 H -1.618021 -1.721715 -1.803913 H -1.730259 -2.532809 -0.208303 H -2.063450 1.423174 1.672857 H -1.476388 2.111427 0.134227 H -4.440506 -0.024036 0.128404 H -3.597800 -1.468158 -0.408921 H 0.202408 -3.536360 -1.266623 H 0.831826 -1.961273 -1.843591 H -3.861977 2.466827 -0.631946 H -4.444438 1.970634 0.990776 H -3.404873 3.406213 0.822993 H -2.638765 -1.789336 1.956228 H -3.510937 -0.322724 2.486464 H -4.424706 -1.755424 1.938782 H 1.652111 2.419942 -1.037960 H 3.863354 -1.361802 1.373513 H 3.956719 2.739336 -0.063595 H 5.039430 0.835675 1.191555