%chk=000062117.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000062117 0 1 O -3.577900 -0.9916000 -0.3739000 O -3.403400 1.164200 0.3458000 C -1.427800 -4.5200001E-02 -0.3457000 C -0.6425000 1.238000 -5.0999999E-02 C 0.8448000 1.066200 -0.3757000 C 1.420400 -0.2444000 9.7400002E-02 C -0.8633000 -1.213400 0.4803000 C 2.916700 -0.3495000 9.4499998E-02 C 0.6370000 -1.260800 0.4966000 C -2.891400 0.1395000 -7.9700001E-02 C 3.454400 -0.1855000 -1.323200 C 3.532900 0.6825000 1.034500 H -1.322800 -0.2660000 -1.417100 H -0.7549000 1.508000 1.008100 H -1.045200 2.079300 -0.6286000 H 1.371200 1.919200 6.2500000E-02 H 0.9704000 1.134700 -1.463300 H -1.235600 -2.159100 6.7199998E-02 H -1.222700 -1.163100 1.515900 H 3.217300 -1.343500 0.4515000 H 1.086500 -2.184800 0.8510000 H 3.303200 0.8269000 -1.713400 H 2.979600 -0.8918000 -2.013400 H 4.532600 -0.3807000 -1.343300 H 3.069200 0.6479000 2.026700 H 3.453900 1.705400 0.6526000 H 4.601600 0.4769000 1.165400 H -4.538800 -0.8915000 -0.2046000 %chk=000062117-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000062117 0 1 O -3.671522 -0.988704 -0.528114 O -3.512268 1.093779 0.480873 C -1.456768 -0.052017 -0.316982 C -0.671091 1.253499 -0.072526 C 0.806745 1.068768 -0.480817 C 1.418028 -0.219189 0.064154 C -0.888086 -1.199022 0.573406 C 2.944039 -0.347746 0.063895 C 0.629873 -1.223349 0.540017 C -2.942756 0.123873 -0.067173 C 3.546527 -0.129536 -1.350250 C 3.605607 0.614738 1.089463 H -1.334578 -0.363212 -1.374054 H -0.740953 1.519702 0.998917 H -1.125655 2.088029 -0.636944 H 1.394814 1.940602 -0.132660 H 0.890542 1.074706 -1.588235 H -1.296769 -2.168473 0.231453 H -1.238231 -1.067767 1.619710 H 3.187565 -1.383329 0.378301 H 1.105969 -2.131911 0.937983 H 3.365252 0.901497 -1.707273 H 3.108454 -0.829342 -2.085142 H 4.640807 -0.288270 -1.332813 H 3.199341 0.454507 2.104329 H 3.439669 1.673940 0.816996 H 4.698673 0.448905 1.123801 H -4.637826 -0.846879 -0.333214