%chk=000145169.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000145169 0 1 S 1.750700 0.4418000 1.704400 F -2.261400 0.2730000 1.431400 F -0.8815000 -1.271200 0.7637000 F -3.399600 -1.449700 -0.2834000 F -3.218300 0.5520000 -1.118000 O -0.8164000 2.099200 -4.8000002E-03 C 3.128700 -0.3430000 -0.6396000 C 1.819800 0.1534000 -3.0200001E-02 C 4.285500 0.6519000 -0.4782000 C 3.519600 -1.728100 -0.1160000 C 0.6965000 0.4164000 -0.7254000 C -1.545000 -0.1550000 0.3575000 C -0.5734000 0.9004000 -0.1170000 C -2.505300 -0.5409000 -0.7446000 H 2.966000 -0.4545000 -1.721000 H 5.160600 0.3155000 -1.045000 H 4.005100 1.642100 -0.8535000 H 4.590400 0.7578000 0.5682000 H 2.695200 -2.440300 -0.2327000 H 4.377500 -2.119100 -0.6743000 H 3.800500 -1.702500 0.9423000 H 0.6676000 0.2784000 -1.802000 H -2.004300 -0.9582000 -1.622500 H 0.9395000 1.509200 1.725200 %chk=000145169-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000145169 0 1 S 1.519654 -0.770360 1.489369 F -2.951781 1.083546 0.241290 F -1.300494 0.667003 1.753112 F -2.809682 -1.585691 0.825048 F -2.085929 -1.169713 -1.319275 O -1.120340 2.305615 -1.173069 C 2.995928 -0.211801 -0.803828 C 1.641909 0.048719 -0.138853 C 4.131240 0.568384 -0.083293 C 3.328701 -1.724811 -0.894192 C 0.722660 0.862763 -0.769398 C -1.676178 0.513910 0.351126 C -0.662989 1.309059 -0.548445 C -1.763361 -1.007087 0.061543 H 2.915754 0.178698 -1.836613 H 5.081193 0.426413 -0.629357 H 3.913175 1.650094 -0.042832 H 4.267561 0.203870 0.949991 H 2.533820 -2.285367 -1.417019 H 4.271186 -1.859404 -1.454107 H 3.468572 -2.170972 0.107241 H 1.102988 1.343061 -1.683459 H -0.828526 -1.551543 0.278061 H 0.502938 0.004215 2.021459