%chk=000113563.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113563 0 1 O 1.776700 -1.021900 1.400400 O 2.011200 -1.471700 -0.8085000 C -0.5230000 0.6664000 0.4851000 C -1.592900 -0.4067000 -9.8000001E-03 C 0.9437000 0.6331000 -0.1262000 C -1.111700 2.098100 0.4351000 C -2.545900 -0.7455000 1.170900 C -2.480300 9.9299997E-02 -1.166900 C -0.9644000 -1.747900 -0.4341000 C 1.878900 1.639800 0.5943000 C 0.9882000 0.9873000 -1.623500 C 1.619400 -0.7304000 8.3200000E-02 H -0.3788000 0.4531000 1.555300 H -1.223300 2.466000 -0.5886000 H -0.4821000 2.807100 0.9807000 H -2.093700 2.137200 0.9172000 H -1.992300 -1.172000 2.015300 H -3.307500 -1.475600 0.8726000 H -3.071300 0.1447000 1.531800 H -1.878100 0.4187000 -2.022300 H -3.115500 0.9387000 -0.8658000 H -3.153500 -0.6906000 -1.521200 H -0.3744000 -1.659300 -1.348200 H -1.752700 -2.474500 -0.6737000 H -0.3825000 -2.206700 0.3695000 H 1.793900 1.560600 1.684100 H 2.930500 1.462700 0.3363000 H 1.651900 2.674800 0.3171000 H 0.4097000 0.2833000 -2.227500 H 2.015900 0.9554000 -2.006200 H 0.6045000 1.993400 -1.818400 H 2.221800 -1.885900 1.532600 %chk=000113563-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000113563 0 1 O 1.724093 -1.061133 1.420700 O 2.342651 -1.342077 -0.788256 C -0.499126 0.599719 0.539268 C -1.597971 -0.408888 -0.018494 C 0.925369 0.620471 -0.168165 C -1.065551 2.041119 0.653332 C -2.634095 -0.649676 1.122609 C -2.368163 0.139257 -1.254520 C -1.004866 -1.797966 -0.382353 C 1.831607 1.708004 0.512517 C 0.891593 0.904631 -1.690573 C 1.701867 -0.684958 0.062669 H -0.287802 0.251655 1.571254 H -1.106399 2.552920 -0.325064 H -0.458491 2.661314 1.334144 H -2.090652 2.029263 1.061553 H -2.146870 -1.093804 2.011128 H -3.421193 -1.348152 0.781291 H -3.135019 0.283067 1.439341 H -1.707180 0.304868 -2.121590 H -2.881598 1.090979 -1.029418 H -3.142526 -0.590200 -1.559924 H -0.307623 -1.752823 -1.236528 H -1.823158 -2.487179 -0.664642 H -0.473726 -2.246056 0.477065 H 1.810014 1.617667 1.611929 H 2.879046 1.598901 0.175226 H 1.493543 2.717696 0.225368 H 0.472145 0.061624 -2.262407 H 1.914389 1.073806 -2.070226 H 0.291587 1.807556 -1.898502 H 2.296505 -1.870605 1.511868