%chk=000055258.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000055258 0 1 O -4.286000 -0.2339000 -5.0000002E-04 C 0.6767000 -0.1558000 1.9999999E-04 C 0.5343000 -2.521900 1.9999999E-04 C 2.029900 -2.102100 -3.9999999E-04 C -0.1958000 -1.211700 9.9999997E-05 C 1.971300 -0.6033000 9.9999997E-05 C 0.2993000 1.188600 1.9999999E-04 C -1.557100 -0.9613000 9.9999997E-05 C 3.003300 0.3190000 -9.9999997E-05 C -1.084700 1.444000 1.9999999E-04 C -1.999000 0.3722000 1.9999999E-04 C 1.348000 2.127000 -9.9999997E-05 C 2.686600 1.687800 -1.9999999E-04 C -3.426800 0.6515000 0.000000 H 0.2951000 -3.106700 0.8943000 H 0.2944000 -3.107200 -0.8934000 H 2.538400 -2.476700 -0.8947000 H 2.539400 -2.477400 0.8930000 H -2.257000 -1.791600 9.9999997E-05 H 4.039800 -1.9000000E-03 -3.9999999E-04 H -1.442100 2.471300 1.9999999E-04 H 1.135100 3.192800 -1.9999999E-04 H 3.488500 2.421900 -5.0000002E-04 H -3.723900 1.714100 0.000000 %chk=000055258-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000055258 0 1 O -4.402641 -0.159776 0.000216 C 0.688758 -0.181441 -0.000083 C 0.555272 -2.580256 0.000068 C 2.072594 -2.144564 -0.000312 C -0.235273 -1.272321 -0.000011 C 2.043854 -0.616691 -0.000183 C 0.298107 1.194525 -0.000066 C -1.598552 -0.999754 0.000032 C 3.056571 0.346686 -0.000216 C -1.110425 1.450973 -0.000010 C -2.028307 0.379679 0.000023 C 1.356962 2.164373 -0.000108 C 2.693922 1.738478 -0.000169 C -3.476714 0.697087 0.000063 H 0.313530 -3.194760 0.886789 H 0.313152 -3.195202 -0.886237 H 2.603274 -2.537352 -0.887422 H 2.603840 -2.537585 0.886350 H -2.370167 -1.776846 0.000078 H 4.115737 0.065497 -0.000289 H -1.484097 2.483667 -0.000001 H 1.119280 3.234481 -0.000091 H 3.493762 2.487891 -0.000193 H -3.714738 1.791909 0.000172