%chk=000004458.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000004458 0 1 O -4.010600 -1.275100 -0.3613000 C -0.2536000 1.737900 -0.7801000 C 1.255700 1.576400 -0.5558000 C -1.099800 0.8266000 8.3999999E-02 C 1.735400 0.1790000 -0.8353000 C 2.432200 -0.6386000 -2.3700001E-02 C -0.9677000 1.048000 1.569300 C -1.948700 -0.1089000 -0.3846000 C 2.832200 -2.013000 -0.4906000 C 2.862500 -0.3120000 1.378000 C -2.837800 -1.020300 0.4000000 H -0.5361000 2.778900 -0.5793000 H -0.4796000 1.562800 -1.840300 H 1.519100 1.923300 0.4462000 H 1.776500 2.250500 -1.247700 H 1.493200 -0.1828000 -1.834300 H -1.202800 2.090500 1.810400 H 5.5199999E-02 0.8456000 1.899300 H -1.614000 0.4243000 2.188000 H -1.991200 -0.2401000 -1.465500 H 2.401100 -2.776200 0.1656000 H 2.493600 -2.223500 -1.510600 H 3.922300 -2.116100 -0.4751000 H 3.947600 -0.4284000 1.472800 H 2.623600 0.7059000 1.689800 H 2.381600 -0.9951000 2.086000 H -3.161100 -0.6142000 1.359700 H -2.336400 -1.978000 0.5664000 H -4.482200 -0.4311000 -0.4691000 %chk=000004458-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000004458 0 1 O -4.385738 -0.907451 -0.264083 C -0.316595 1.656174 -0.795872 C 1.215418 1.526403 -0.522521 C -1.193890 0.780586 0.092710 C 1.740139 0.127391 -0.775199 C 2.548500 -0.631145 0.020137 C -1.031992 1.000523 1.586742 C -2.044434 -0.130772 -0.466863 C 2.973006 -2.027540 -0.409322 C 3.102468 -0.191245 1.365060 C -2.998346 -1.060236 0.241255 H -0.596460 2.721313 -0.646630 H -0.511978 1.417924 -1.859238 H 1.440188 1.859654 0.506870 H 1.730805 2.243600 -1.196427 H 1.412201 -0.314525 -1.730384 H -1.003309 2.082342 1.820876 H -0.076055 0.568798 1.942513 H -1.840308 0.540706 2.178943 H -2.071615 -0.214447 -1.563830 H 2.649772 -2.786465 0.331248 H 2.545242 -2.301758 -1.389118 H 4.076505 -2.105703 -0.480540 H 4.210553 -0.175834 1.342214 H 2.761911 0.811835 1.670464 H 2.815633 -0.909291 2.159263 H -2.971864 -0.927454 1.341450 H -2.762632 -2.116013 0.019102 H -4.606924 0.058929 -0.256619