%chk=000090173.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000090173 0 1 O -0.6578000 -0.9686000 -1.416800 O 0.7767000 1.164200 1.194800 O -2.209100 1.237900 -0.6049000 O 2.946400 1.190400 -0.4795000 O -4.217200 -0.2276000 0.6508000 O 3.559400 -1.034000 0.8468000 C -0.5067000 -0.3870000 -0.1174000 C 0.6457000 0.6325000 -0.1292000 C -1.877400 0.1700000 0.2946000 C 2.009800 0.1273000 -0.6177000 C -3.010300 -0.8476000 0.2154000 C 2.540500 -1.057300 0.1631000 H -0.2628000 -1.200600 0.5755000 H 0.3693000 1.478900 -0.7709000 H -1.826000 0.6036000 1.299700 H 1.958900 -0.1572000 -1.674000 H -2.815800 -1.718900 0.8482000 H -3.181200 -1.184500 -0.8116000 H -0.8741000 -0.2502000 -2.035800 H 1.490800 1.824000 1.173900 H 1.954800 -1.987600 6.9100000E-02 H -3.067600 1.598200 -0.3236000 H 3.771500 0.9110000 -0.9123000 H -4.088700 4.5400001E-02 1.575200 %chk=000090173-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000090173 0 1 O -0.477245 -0.960791 -1.429346 O 0.840270 1.032529 1.392824 O -2.270885 0.926732 -1.041513 O 3.020152 1.241077 -0.181459 O -4.236340 -0.218458 0.470445 O 3.524577 -1.356453 0.214259 C -0.448741 -0.330493 -0.106750 C 0.647548 0.750581 -0.027539 C -1.838590 0.265273 0.207660 C 2.004405 0.309552 -0.665225 C -2.880016 -0.804962 0.580707 C 2.426329 -1.122856 -0.356002 H -0.206563 -1.119022 0.629963 H 0.319747 1.666131 -0.563738 H -1.742752 1.014534 1.019030 H 1.901082 0.376765 -1.767886 H -2.692060 -1.209438 1.593953 H -2.869677 -1.627529 -0.153016 H -1.116271 -0.404073 -1.962450 H 1.695035 1.542950 1.449658 H 1.752411 -1.933418 -0.702583 H -3.267400 0.940086 -1.016684 H 3.787123 0.683220 0.140680 H -4.443039 0.300365 1.288412