%chk=000154232.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000154232 0 1 S -5.881500 1.538800 8.3800003E-02 O 0.7954000 -2.282400 0.2092000 N -3.473700 0.2218000 0.4404000 N 2.859300 1.952300 -0.2256000 C -0.6653000 -0.4204000 -0.2512000 C -1.811400 -1.436400 -0.2439000 C 0.6841000 -1.075700 4.8000002E-03 C -3.158500 -0.7979000 -0.5614000 C 1.907300 -0.2201000 8.5000005E-03 C 3.131700 -0.7910000 0.2371000 C 1.792600 1.121700 -0.2157000 C 4.253000 3.1199999E-02 0.2346000 C 4.064900 1.383700 3.0000001E-04 C -4.498000 0.7743000 0.2791000 H -0.8359000 0.3279000 0.5303000 H -0.6360000 6.9300003E-02 -1.231100 H -1.858600 -1.923400 0.7385000 H -1.610700 -2.226400 -0.9781000 H -3.926400 -1.583000 -0.5658000 H -3.124000 -0.3578000 -1.567300 H 3.256600 -1.853700 0.4185000 H 0.8551000 1.630900 -0.4011000 H 5.243000 -0.3737000 0.4105000 H 4.907300 2.067600 -1.1900000E-02 %chk=000154232-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000154232 0 1 S -4.660373 2.274740 1.392656 O 0.746714 -2.316220 0.330098 N -3.706401 0.056661 -0.104901 N 2.805441 2.036193 -0.330953 C -0.745492 -0.541902 -0.423685 C -1.865591 -1.594046 -0.350031 C 0.614831 -1.100594 0.002111 C -3.225697 -1.060219 -0.860730 C 1.803878 -0.180238 0.020393 C 3.068342 -0.696275 0.414656 C 1.732214 1.192827 -0.340343 C 4.185189 0.159789 0.432487 C 4.008471 1.513173 0.052703 C -4.111076 0.996895 0.531385 H -0.992483 0.330059 0.214990 H -0.654693 -0.141443 -1.455555 H -1.972143 -1.955962 0.687824 H -1.594754 -2.475060 -0.960194 H -3.978237 -1.872020 -0.815758 H -3.137053 -0.757769 -1.924386 H 3.137659 -1.752266 0.695743 H 0.786004 1.650915 -0.649622 H 5.173470 -0.202292 0.731684 H 4.852082 2.212652 0.051929