%chk=000109169.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109169 0 1 O 2.906300 -0.2259000 0.2746000 O 1.922200 1.431600 -0.9986000 C -1.194100 0.7823000 -0.3102000 C -0.8740000 -0.7149000 -8.6599998E-02 C -2.707300 0.8577000 -1.6500000E-02 C -2.245700 -1.304200 0.3048000 C -2.889100 -0.1684000 1.105600 C -3.458000 0.1665000 -1.171000 C -3.139600 -1.322300 -0.9502000 C -0.3024000 1.560900 0.6614000 C 0.1922000 -0.7661000 1.011500 C 0.8427000 0.6119000 0.9925000 C 1.932100 0.6758000 -3.6300000E-02 C 4.013800 -0.2712000 -0.6307000 C 5.001000 -1.313500 -0.1504000 H -0.9694000 1.081000 -1.341100 H -0.4840000 -1.172700 -1.003700 H -3.071900 1.863800 0.2011000 H -2.189900 -2.267900 0.8152000 H -2.354400 8.2699999E-02 2.025500 H -3.941000 -0.3570000 1.347400 H -3.131700 0.5155000 -2.155800 H -4.537800 0.3357000 -1.089900 H -4.063900 -1.880300 -0.7619000 H -2.642100 -1.769700 -1.816400 H -0.8487000 1.809700 1.579200 H 2.3700001E-02 2.511600 0.2264000 H 0.8888000 -1.592300 0.8356000 H -0.2625000 -0.9434000 1.993300 H 1.287500 0.8714000 1.959700 H 3.655800 -0.5341000 -1.632300 H 4.498800 0.7108000 -0.6638000 H 5.862200 -1.375200 -0.8214000 H 5.354500 -1.073700 0.8578000 H 4.524900 -2.298100 -9.4400004E-02 %chk=000109169-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109169 0 1 O 3.075837 -0.228464 0.293887 O 1.825083 0.954172 -1.274220 C -1.237383 0.773730 -0.295458 C -0.998289 -0.784574 -0.117000 C -2.754514 0.934164 0.027854 C -2.412735 -1.313760 0.275210 C -2.972734 -0.140759 1.134454 C -3.566293 0.319888 -1.153798 C -3.326175 -1.229029 -0.986576 C -0.257443 1.472856 0.689533 C 0.097439 -0.924162 0.976725 C 0.865867 0.440463 0.965098 C 1.924558 0.447593 -0.131073 C 4.183174 -0.334361 -0.705514 C 5.345361 -1.029275 -0.003055 H -1.014418 1.098002 -1.326349 H -0.653677 -1.249403 -1.059056 H -3.048505 1.966253 0.285167 H -2.401926 -2.308116 0.754230 H -2.397846 0.049343 2.058612 H -4.036274 -0.273624 1.404455 H -3.217035 0.699189 -2.131172 H -4.639961 0.567712 -1.063431 H -4.278827 -1.763693 -0.817126 H -2.843575 -1.680296 -1.872566 H -0.766445 1.702528 1.645598 H 0.136344 2.418513 0.279443 H 0.767330 -1.786931 0.817457 H -0.366742 -1.046278 1.974276 H 1.384081 0.603549 1.927261 H 3.811767 -0.904946 -1.576409 H 4.441632 0.683482 -1.049580 H 6.194957 -1.138900 -0.701716 H 5.684745 -0.443220 0.868081 H 5.051618 -2.033645 0.347160