%chk=000070138.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000070138 0 1 O 0.8878000 0.3247000 -0.8357000 C -0.2794000 -0.4173000 -0.5318000 C -0.7715000 -0.2691000 0.9176000 C -1.567800 0.1775000 -1.125200 C -1.131400 1.209200 0.8936000 C -2.055200 -1.069200 0.7570000 C -1.610800 1.478200 -0.3368000 C -2.535500 -0.7999000 -0.4754000 C 1.986100 -6.2399998E-02 -1.7800000E-02 C 1.823400 -1.536800 0.3489000 C 3.262000 0.1520000 -0.8290000 C 1.992200 0.8130000 1.234600 H -0.1814000 -1.447900 -0.9060000 H -0.2094000 -0.5852000 1.786800 H -1.574600 0.2680000 -2.210400 H -1.055600 1.898800 1.719000 H -2.513100 -1.700200 1.501800 H -1.992600 2.424000 -0.6862000 H -3.451400 -1.172900 -0.9049000 H 1.755900 -2.165900 -0.5483000 H 2.741200 -1.865000 0.8579000 H 1.034500 -1.843900 1.030200 H 3.362600 1.203200 -1.122900 H 3.233600 -0.4272000 -1.759100 H 4.156700 -0.1381000 -0.2686000 H 1.402500 0.4440000 2.071900 H 3.011200 0.8792000 1.637300 H 1.670000 1.835600 1.009800 %chk=000070138-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000070138 0 1 O 0.881084 0.276868 -0.446605 C -0.351078 -0.294995 0.037778 C -1.204527 0.583765 1.069868 C -1.517771 -0.247498 -1.035190 C -1.546724 1.777329 0.148342 C -2.437219 -0.348009 1.123499 C -1.730732 1.284871 -1.105081 C -2.625368 -0.844602 -0.134505 C 2.167319 -0.291511 0.082351 C 2.360091 -1.737470 -0.433200 C 3.222768 0.649514 -0.526300 C 2.199021 -0.229246 1.626860 H -0.204169 -1.322000 0.424329 H -0.736780 0.827886 2.034299 H -1.332971 -0.759090 -1.990125 H -1.641189 2.809542 0.490792 H -3.028465 -0.543387 2.020993 H -2.010888 1.823937 -2.011924 H -3.404517 -1.526643 -0.481956 H 2.301191 -1.756141 -1.535534 H 3.350120 -2.123448 -0.128027 H 1.595106 -2.426310 -0.031168 H 3.048896 1.684751 -0.185885 H 3.153837 0.635404 -1.627635 H 4.241018 0.340405 -0.228392 H 1.426687 -0.877920 2.078466 H 3.182787 -0.566583 2.001844 H 2.032474 0.806983 1.970407