%chk=000089084.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000089084 0 1 O 1.731500 0.4815000 0.4808000 O 0.7658000 -1.612700 0.5381000 O -3.170600 1.472800 -0.1522000 C 2.986900 -2.7000001E-02 1.8200001E-02 C -0.5959000 0.3811000 0.2239000 C -1.824800 -0.5196000 0.1362000 C 0.6861000 -0.3970000 0.4292000 C 2.841100 -0.4821000 -1.425800 C 4.049700 1.050800 0.1684000 C -3.115800 0.2447000 -0.1129000 C -4.354100 -0.5925000 -0.3039000 H 3.276600 -0.8772000 0.6482000 H -0.4985000 0.9604000 -0.7018000 H -0.7105000 1.080100 1.060400 H -1.941400 -1.084800 1.068000 H -1.697000 -1.238500 -0.6815000 H 3.811700 -0.7696000 -1.843600 H 2.176700 -1.345100 -1.528100 H 2.421000 0.3172000 -2.046900 H 5.031300 0.6921000 -0.1558000 H 4.121700 1.371700 1.213200 H 3.789200 1.940100 -0.4161000 H -5.217400 5.7799999E-02 -0.4704000 H -4.531600 -1.192900 0.5917000 H -4.227400 -1.240700 -1.174400 %chk=000089084-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000089084 0 1 O 1.664735 0.488981 -0.032136 O 0.665449 -1.584421 -0.425844 O -3.310722 1.000371 -1.186733 C 3.037849 -0.130781 -0.164835 C -0.727828 0.436983 -0.135007 C -1.931127 -0.455391 0.209456 C 0.568199 -0.350630 -0.211590 C 3.402307 -0.208211 -1.653968 C 3.963360 0.765953 0.659653 C -3.260929 0.090557 -0.315995 C -4.523469 -0.536824 0.261080 H 2.972279 -1.149088 0.261989 H -0.910765 0.906330 -1.123231 H -0.608591 1.272004 0.575622 H -2.011351 -0.639123 1.298128 H -1.776664 -1.457707 -0.245077 H 4.416485 -0.632296 -1.771221 H 2.694784 -0.856329 -2.197697 H 3.392027 0.798295 -2.108538 H 4.995141 0.371433 0.628140 H 3.637009 0.806903 1.712891 H 3.970515 1.793807 0.256387 H -5.392976 -0.302654 -0.372494 H -4.706049 -0.126357 1.273821 H -4.415366 -1.631203 0.370098