%chk=000087838.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000087838 0 1 S 3.599600 0.1003000 4.3099999E-02 S -1.151300 -0.6195000 0.8551000 S -3.710400 -1.959900 0.1914000 O 3.956400 1.609300 0.5486000 O 4.101600 -7.0799999E-02 -1.307800 O 3.930900 -0.8365000 1.101000 N -3.331000 0.7681000 4.3000001E-03 C 1.181000 -0.9329000 -0.6412000 C 1.844600 0.2889000 -1.8900000E-02 C -0.3389000 -0.8218000 -0.7483000 C -2.837600 -0.5172000 0.3037000 C -4.704400 0.9947000 -0.4525000 C -2.540600 1.997300 0.1214000 H 1.583000 -1.091900 -1.649700 H 1.444900 -1.831200 -6.8400003E-02 H 1.630700 1.179000 -0.6197000 H 1.512900 0.4646000 1.008200 H -0.7244000 -1.725500 -1.231900 H -0.5980000 2.8600000E-02 -1.388200 H -5.252100 7.9400003E-02 -0.6758000 H -4.672500 1.602900 -1.362200 H -5.241200 1.541700 0.3289000 H -2.100400 2.213400 -0.8565000 H -1.749900 1.925800 0.8688000 H -3.194800 2.825400 0.4126000 H 3.832300 2.321900 -0.1215000 %chk=000087838-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000087838 0 1 S 3.265886 0.616790 -0.366570 S -1.431358 -0.694840 0.948063 S -1.733546 -0.069058 -2.125997 O 3.122915 1.936607 -1.677130 O 4.327491 -0.513128 -0.835019 O 3.451172 1.309900 1.085175 N -3.164696 1.088690 -0.089281 C 1.273477 -1.284974 0.187769 C 1.459664 -0.000342 -0.622358 C -0.172847 -1.815217 0.100793 C -2.198310 0.208446 -0.502251 C -3.919172 1.918924 -1.053948 C -3.530709 1.256278 1.337225 H 1.949208 -2.071497 -0.201190 H 1.543823 -1.108762 1.246174 H 1.381360 -0.124986 -1.711508 H 0.852413 0.848657 -0.274353 H -0.261383 -2.779256 0.628131 H -0.515921 -1.921772 -0.944973 H -3.526051 1.744451 -2.065919 H -3.807874 2.987513 -0.794510 H -4.991229 1.648723 -1.028988 H -2.664464 1.598826 1.932060 H -3.898854 0.307129 1.767339 H -4.329128 2.010280 1.408448 H 3.988531 2.436716 -1.702682