%chk=000064786.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000064786 0 1 S -1.543900 0.8512000 1.9999999E-04 O -1.902900 1.448200 1.270200 O -1.904100 1.448800 -1.269300 N -1.886100 -0.7625000 0.000000 N -0.7769000 -2.860500 -3.0000001E-04 C 0.1783000 0.6368000 -5.0000002E-04 C 0.4616000 -0.7189000 -1.9999999E-04 C -0.7985000 -1.492900 0.000000 C 1.145900 1.615700 -5.0000002E-04 C 1.771500 -1.159000 3.0000001E-04 C 2.472400 1.183700 -1.9999999E-04 C 2.782800 -0.1907000 3.0000001E-04 H 0.8989000 2.670300 -6.0000003E-04 H 2.026600 -2.212300 6.9999998E-04 H 3.277600 1.913500 -1.9999999E-04 H 3.824200 -0.5022000 7.9999998E-04 H 8.6300001E-02 -3.392600 -6.0000003E-04 H -1.640600 -3.392600 -3.9999999E-04 %chk=000064786-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000064786 0 1 S -1.667981 0.954796 -0.000027 O -2.139795 1.627322 1.396796 O -2.139599 1.627013 -1.397059 N -2.010584 -0.954719 0.000259 N -0.716521 -2.914716 -0.000134 C 0.216757 0.663083 0.000150 C 0.451020 -0.720057 0.000256 C -0.808039 -1.544592 0.000558 C 1.217928 1.634743 0.000049 C 1.789984 -1.172174 0.000059 C 2.558571 1.169686 -0.000022 C 2.835843 -0.219082 -0.000001 H 0.984319 2.703275 -0.000049 H 2.037420 -2.239847 0.000063 H 3.382838 1.890048 -0.000156 H 3.875577 -0.561802 -0.000075 H 0.178977 -3.394185 -0.000534 H -1.573615 -3.464792 -0.000431