%chk=000108589.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108589 0 1 S -3.155600 -1.121600 -3.9999999E-04 O 2.519200 0.6341000 -9.9999997E-05 N -2.135500 1.804600 3.9999999E-04 C -1.135600 0.8051000 -3.0000001E-04 C 1.214700 0.2454000 1.9999999E-04 C 0.2011000 1.203800 -1.9999999E-04 C -1.458700 -0.5518000 -9.9999997E-05 C 0.8916000 -1.111400 5.0000002E-04 C -0.4452000 -1.510000 1.9999999E-04 C 3.504100 -0.3981000 -3.0000001E-04 H 0.4620000 2.259600 -1.9999999E-04 H 1.628200 -1.907600 1.3000000E-03 H -0.6710000 -2.573800 2.3000001E-03 H -1.877700 2.782500 -1.3000000E-03 H -3.110900 1.537500 -1.2000001E-03 H 3.450400 -1.005800 0.9094000 H 4.484100 9.0200000E-02 -8.9999998E-04 H 3.449600 -1.006300 -0.9097000 H -2.914700 -2.378600 -0.4019000 %chk=000108589-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108589 0 1 S -3.218028 -1.247986 0.253517 O 2.536345 0.663042 -0.083387 N -2.177853 1.648770 -0.034776 C -1.156923 0.707446 0.008286 C 1.235848 0.136765 -0.008863 C 0.206411 1.100881 -0.056247 C -1.457844 -0.691660 0.111720 C 0.940546 -1.246575 0.110826 C -0.416424 -1.634961 0.172364 C 3.651949 -0.282957 -0.031604 H 0.481412 2.157516 -0.138634 H 1.726794 -2.003895 0.157561 H -0.673326 -2.695165 0.267887 H -1.969947 2.641805 -0.073870 H -3.137443 1.337149 0.112801 H 3.661140 -0.844888 0.922726 H 4.558003 0.336727 -0.105182 H 3.617267 -0.994689 -0.879406 H -3.507826 -1.289522 -1.108017