%chk=000092652.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000092652 0 1 O 2.712500 -0.9522000 -0.1107000 C -1.194000 0.2733000 -0.8371000 C -0.1564000 1.081200 1.1700000E-02 C -5.1000002E-03 -1.349900 0.1233000 C 0.6328000 -6.8800002E-02 0.7133000 C -0.3633000 -0.9284000 -1.302700 C -2.233000 -0.4463000 4.5699999E-02 C -1.402100 -1.531900 0.7451000 C -0.8070000 2.012000 1.048300 C 0.7007000 1.968800 -0.9158000 C 2.114800 -5.7999998E-02 0.4789000 H -1.650900 0.8514000 -1.644400 H 0.6067000 -2.252000 0.1969000 H 0.5025000 -5.0700001E-02 1.802400 H 0.5046000 -0.6683000 -1.913700 H -0.9558000 -1.680300 -1.836100 H -3.000000 -0.9172000 -0.5816000 H -2.753000 0.2074000 0.7493000 H -1.398100 -1.412300 1.833000 H -1.807900 -2.523100 0.5133000 H -1.338100 1.461700 1.830900 H -4.8500001E-02 2.619300 1.555800 H -1.519400 2.693400 0.5705000 H 7.0100002E-02 2.695000 -1.442100 H 1.445500 2.537300 -0.3476000 H 1.234200 1.394300 -1.678800 H 2.661800 0.8036000 0.8984000 %chk=000092652-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000092652 0 1 O 2.846808 -0.854840 -0.133401 C -1.211479 0.272905 -0.851774 C -0.167820 1.090020 0.004654 C -0.009312 -1.404409 0.117177 C 0.644644 -0.119572 0.703848 C -0.370106 -0.949194 -1.325211 C -2.261748 -0.437715 0.052922 C -1.420898 -1.568440 0.756531 C -0.804836 2.025379 1.059676 C 0.706248 1.961686 -0.940878 C 2.145275 -0.031486 0.505220 H -1.661074 0.892526 -1.647675 H 0.638916 -2.291186 0.194039 H 0.479808 -0.047345 1.800431 H 0.512317 -0.696925 -1.935327 H -0.975008 -1.696286 -1.869922 H -3.057982 -0.872633 -0.578924 H -2.753962 0.243983 0.766365 H -1.394374 -1.457231 1.856438 H -1.833542 -2.569677 0.536303 H -1.384320 1.471228 1.818522 H -0.022691 2.599060 1.592873 H -1.483260 2.755527 0.578075 H 0.067458 2.707106 -1.450687 H 1.481598 2.520050 -0.384043 H 1.213275 1.365083 -1.719067 H 2.629667 0.851686 1.000036