%chk=000111992.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111992 0 1 O -0.8737000 0.6633000 0.1428000 O -2.021900 -1.291200 0.5916000 C 1.507400 1.055400 0.3500000 C 2.059300 -0.6541000 -0.9665000 C 1.839200 0.8484000 -1.130600 C 0.3455000 6.5399997E-02 0.5600000 C 0.7157000 -1.106400 -0.3641000 C 2.764200 0.4903000 1.030600 C 3.139400 -0.6957000 0.1288000 C -1.980900 -0.1319000 0.2112000 C -3.139300 0.6548000 -0.2606000 C -4.355000 0.1017000 -0.2933000 H 1.272200 2.087000 0.6205000 H 2.335800 -1.194000 -1.874200 H 2.739100 1.384800 -1.449500 H 1.009500 1.093300 -1.801900 H 0.2601000 -0.2369000 1.610600 H -1.2600000E-02 -1.260800 -1.167800 H 0.8226000 -2.043700 0.1919000 H 2.581600 0.1804000 2.064300 H 3.572000 1.230900 1.033700 H 4.135800 -0.5411000 -0.3003000 H 3.146700 -1.643300 0.6767000 H -2.987100 1.680400 -0.5774000 H -5.205100 0.6799000 -0.6399000 H -4.538800 -0.9210000 1.6700000E-02 %chk=000111992-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000111992 0 1 O -0.903026 0.558659 -0.091073 O -2.152483 -1.114893 0.970032 C 1.469476 1.022785 0.333455 C 2.224326 -0.650538 -1.025212 C 1.912670 0.870466 -1.151307 C 0.361169 -0.048114 0.443373 C 0.868189 -1.201710 -0.485987 C 2.712466 0.467641 1.098398 C 3.254976 -0.662248 0.143648 C -2.097546 -0.082025 0.256350 C -3.250340 0.647298 -0.338421 C -4.526948 0.228566 -0.140262 H 1.139401 2.020820 0.660009 H 2.573195 -1.155576 -1.940394 H 2.801125 1.477405 -1.400495 H 1.101999 1.096212 -1.865647 H 0.157130 -0.379690 1.475945 H 0.147353 -1.357548 -1.308311 H 0.974817 -2.156240 0.057058 H 2.446019 0.084436 2.100441 H 3.460817 1.267271 1.240553 H 4.268856 -0.420428 -0.223857 H 3.306214 -1.648487 0.639192 H -3.009742 1.532303 -0.936755 H -5.379502 0.761449 -0.574070 H -4.728910 -0.661914 0.466635