%chk=000067440.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000067440 0 1 O 0.1229000 1.442200 -6.0000003E-04 O -0.2576000 -0.9365000 -3.9999999E-04 C -0.8665000 0.3815000 -3.9999999E-04 C -1.729700 0.5258000 -1.263800 C -1.728900 0.5259000 1.263700 C -2.920600 -0.4307000 -1.263600 C -2.919900 -0.4304000 1.264200 C -3.761900 -0.2780000 5.0000002E-04 C 1.284600 0.7327000 0.000000 C 1.067300 -0.6252000 -9.9999997E-05 C 2.557400 1.264400 1.9999999E-04 C 2.110400 -1.527800 -9.9999997E-05 C 3.632300 0.3722000 1.9999999E-04 C 3.410100 -1.016000 0.000000 H -1.120100 0.3343000 -2.155700 H -2.085300 1.560500 -1.352200 H -2.084400 1.560600 1.352200 H -1.118800 0.3344000 2.155200 H -2.565000 -1.465100 -1.343900 H -3.543700 -0.2408000 -2.144900 H -3.542500 -0.2404000 2.145800 H -2.564200 -1.464800 1.344400 H -4.241800 0.7086000 6.0000003E-04 H -4.565400 -1.023100 7.9999998E-04 H 2.724300 2.335500 3.0000001E-04 H 1.934400 -2.597500 -3.0000001E-04 H 4.650100 0.7528000 3.0000001E-04 H 4.258200 -1.695400 0.000000 %chk=000067440-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000067440 0 1 O 0.133037 1.453236 -0.000522 O -0.254813 -0.922196 -0.000437 C -0.961475 0.415294 -0.000232 C -1.786549 0.543738 -1.283479 C -1.785878 0.543704 1.283467 C -2.978107 -0.444534 -1.276018 C -2.977431 -0.444577 1.276592 C -3.839170 -0.280119 0.000517 C 1.358208 0.750283 -0.000244 C 1.130533 -0.645475 -0.000179 C 2.648540 1.287670 -0.000129 C 2.181901 -1.566364 0.000022 C 3.730728 0.361868 0.000073 C 3.502664 -1.033541 0.000151 H -1.127370 0.372925 -2.153630 H -2.153116 1.587394 -1.339246 H -2.152412 1.587359 1.339456 H -1.126237 0.372867 2.153271 H -2.586206 -1.479025 -1.324418 H -3.591795 -0.284433 -2.182616 H -3.590647 -0.284510 2.183518 H -2.585499 -1.479066 1.324751 H -4.312368 0.724059 0.000661 H -4.659374 -1.023037 0.000726 H 2.813022 2.368524 -0.000205 H 1.993615 -2.643390 0.000065 H 4.757414 0.742820 0.000174 H 4.354487 -1.721774 0.000313