%chk=000074708.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000074708 0 1 O -0.4007000 -1.585800 3.0000001E-04 O -0.1550000 2.498700 -1.9999999E-04 O 4.620300 0.7225000 9.9999997E-05 C 0.9748000 0.4320000 9.9999997E-05 C -1.523700 0.5827000 1.9999999E-04 C 0.8183000 -0.9537000 9.9999997E-05 C -1.535000 -0.8118000 9.9999997E-05 C -0.2280000 1.278700 5.0000002E-04 C 2.250400 1.002500 -9.9999997E-05 C 1.946700 -1.776500 0.000000 C -2.721600 1.302300 9.9999997E-05 C -2.753900 -1.493000 -9.9999997E-05 C 3.373700 0.1754000 -3.0000001E-04 C 3.222500 -1.211400 -1.9999999E-04 C -3.936200 0.6161000 -1.9999999E-04 C -3.952600 -0.7788000 -3.0000001E-04 H 2.374000 2.082400 9.9999997E-05 H 1.840100 -2.858100 0.000000 H -2.728300 2.388600 1.9999999E-04 H -2.778100 -2.579600 -9.9999997E-05 H 4.095800 -1.858100 -1.9999999E-04 H -4.871200 1.169000 -3.9999999E-04 H -4.900100 -1.309900 -5.0000002E-04 H 4.539700 1.691800 9.9999997E-05 %chk=000074708-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000074708 0 1 O -0.412997 -1.609365 -0.000294 O -0.160066 2.595946 0.000184 O 4.712475 0.680403 0.000325 C 0.962324 0.452188 -0.000191 C -1.533803 0.598441 -0.000227 C 0.836815 -0.963037 -0.000220 C -1.577198 -0.824397 -0.000250 C -0.240008 1.323924 -0.000444 C 2.261592 1.022694 0.000000 C 1.975544 -1.799624 -0.000092 C -2.766283 1.307696 -0.000051 C -2.801039 -1.529415 -0.000141 C 3.396140 0.194267 0.000119 C 3.253577 -1.222050 0.000079 C -3.990714 0.621812 0.000051 C -4.004279 -0.801262 0.000005 H 2.328524 2.118205 0.000015 H 1.842677 -2.885002 -0.000104 H -2.714454 2.401694 -0.000049 H -2.785914 -2.623037 -0.000160 H 4.154701 -1.841740 0.000190 H -4.934087 1.176948 0.000167 H -4.958521 -1.339276 0.000090 H 4.726894 1.669985 0.000296