%chk=000292693.chk %nprocshared=4 %mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000292693 0 1 S -1.965378 2.251103 0.481379 O 0.647673 2.834190 0.530227 N 0.040299 0.600154 0.126083 C -1.147161 -0.176809 -0.036965 C -2.332626 0.577851 0.136716 C 1.367926 0.022189 0.073308 C -0.175253 1.979368 0.391493 C -1.222051 -1.536844 -0.362373 C -3.586202 -0.003290 0.014676 C 1.677662 -1.086567 0.877900 C 2.330468 0.598579 -0.770949 C -2.488208 -2.116864 -0.484623 C -3.657223 -1.367106 -0.294902 C 2.962020 -1.631301 0.812948 C 3.611086 0.042485 -0.815302 C 3.927023 -1.072476 -0.031867 H -0.322347 -2.126475 -0.528037 H -4.493903 0.583719 0.153286 H 0.933299 -1.507862 1.552446 H 2.086566 1.476670 -1.369961 H -2.565493 -3.175887 -0.735710 H -4.629137 -1.847516 -0.393899 H 3.213424 -2.492843 1.431371 H 4.367038 0.484335 -1.464910 H 4.926797 -1.501503 -0.074534 %chk=000292693-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000292693 0 1 S -1.992652 2.316915 0.551468 O 0.744083 2.813003 0.624736 N 0.027099 0.589673 0.150870 C -1.158925 -0.174231 -0.025447 C -2.348892 0.581854 0.155958 C 1.359191 0.022240 0.082797 C -0.144815 1.959600 0.447032 C -1.234694 -1.538230 -0.385013 C -3.616214 -0.007919 0.006134 C 1.706398 -1.054400 0.932804 C 2.305246 0.564330 -0.815965 C -2.507848 -2.130666 -0.535196 C -3.691177 -1.378298 -0.336799 C 3.005581 -1.602962 0.864899 C 3.605591 0.017013 -0.868356 C 3.957505 -1.070078 -0.035343 H -0.324227 -2.120257 -0.552368 H -4.526333 0.582869 0.147830 H 0.973611 -1.443244 1.647423 H 2.028674 1.409732 -1.452417 H -2.575227 -3.187487 -0.813975 H -4.670134 -1.853619 -0.455492 H 3.275875 -2.435420 1.523339 H 4.341843 0.439920 -1.559978 H 4.966743 -1.493038 -0.081139