%chk=000120996.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000120996 0 1 S -2.033200 0.5067000 0.8195000 S -3.962400 0.1676000 7.9099998E-02 O 3.426100 -1.422500 0.7059000 O 0.7600000 -2.784900 -0.9518000 O -4.930600 0.4131000 1.367200 O -4.243100 1.205400 -0.8944000 O -4.048600 -1.233900 -0.2833000 N 2.343500 1.909700 -0.3087000 C 1.261600 -0.6431000 4.7600001E-02 C 0.4518000 0.4056000 -0.3745000 C 2.611700 -0.4167000 0.2918000 C -1.000100 0.2209000 -0.6508000 C 3.099200 0.8661000 0.1003000 C 0.6864000 -2.009500 0.2395000 C 1.036000 1.651600 -0.5361000 C 4.541700 1.164000 0.3487000 H -1.316800 0.9328000 -1.422800 H -1.215100 -0.7662000 -1.072100 H 1.232400 -2.552800 1.019300 H -0.3499000 -1.999700 0.5865000 H 0.4581000 2.511100 -0.8618000 H 5.180600 0.5697000 -0.3123000 H 4.758900 2.219400 0.1506000 H 4.804900 0.9671000 1.392900 H 4.335400 -1.110900 0.8332000 H 1.547600 -2.513200 -1.452500 H -4.747600 -0.1605000 2.147900 %chk=000120996-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000120996 0 1 S -2.129178 1.312389 0.680232 S -3.766930 -0.437989 0.016905 O 2.904039 -1.321850 1.255228 O -0.805212 -1.955422 0.077198 O -3.220551 -1.894725 0.895460 O -5.215554 -0.073227 0.597868 O -3.516735 -0.672921 -1.571924 N 2.730143 1.728729 -0.847303 C 0.982936 -0.217996 0.301052 C 0.458575 0.852624 -0.486416 C 2.389692 -0.269733 0.477267 C -1.003697 1.043832 -0.828345 C 3.245558 0.710732 -0.104377 C 0.123477 -1.250038 1.002836 C 1.380973 1.787491 -1.024398 C 4.746635 0.659649 0.089256 H -1.137046 1.923274 -1.477709 H -1.438153 0.171117 -1.355806 H 0.751020 -1.987972 1.526692 H -0.553952 -0.760609 1.721842 H 1.018961 2.627093 -1.628480 H 5.192921 -0.267396 -0.323895 H 5.194702 1.512591 -0.442042 H 5.036235 0.737824 1.156726 H 3.889191 -1.262110 1.322827 H -0.324738 -2.517038 -0.575300 H -2.244812 -2.081419 0.553506