%chk=000124501.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124501 0 1 O -4.140400 -0.4019000 -9.9999997E-05 C 3.706000 3.8699999E-02 -3.0000001E-04 C 2.248400 -0.2767000 9.9999997E-05 C -6.4400002E-02 0.4777000 3.0000001E-04 C 1.311800 0.7574000 9.9999997E-05 C -0.4968000 -0.8698000 9.9999997E-05 C 1.823100 -1.601900 -9.9999997E-05 C 4.142300 0.8093000 1.260200 C 4.141400 0.8098000 -1.260700 C 0.4598000 -1.898000 -1.9999999E-04 C -1.021000 1.506100 3.0000001E-04 C -1.873200 -1.149200 9.9999997E-05 C -2.809800 -0.1150000 6.0000003E-04 C -2.384500 1.210200 3.9999999E-04 C -5.042800 0.7032000 -8.9999998E-04 H 4.272600 -0.9025000 -6.9999998E-04 H 1.644200 1.793800 1.9999999E-04 H 2.539400 -2.419200 -3.9999999E-04 H 3.687200 1.804400 1.310600 H 5.229800 0.9394000 1.273000 H 3.858200 0.2641000 2.167200 H 3.856700 0.2652000 -2.167800 H 5.229000 0.9397000 -1.274100 H 3.686600 1.805000 -1.310300 H 0.1501000 -2.941000 -5.0000002E-04 H -0.7103000 2.549000 1.9999999E-04 H -2.222500 -2.180300 -3.0000001E-04 H -3.056900 2.061300 3.9999999E-04 H -6.057400 0.2918000 -1.4000000E-03 H -4.941600 1.304900 -0.9105000 H -4.942800 1.305300 0.9087000 %chk=000124501-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124501 0 1 O -4.209798 -0.432173 -0.000167 C 3.800585 0.027689 -0.000251 C 2.294122 -0.251062 -0.000257 C -0.057242 0.524526 -0.000166 C 1.351309 0.785545 -0.000172 C -0.527726 -0.849293 -0.000243 C 1.813969 -1.605294 -0.000326 C 4.245093 0.789593 1.277417 C 4.245033 0.790145 -1.277606 C 0.449805 -1.899743 -0.000318 C -1.032097 1.573722 -0.000083 C -1.931002 -1.114114 -0.000243 C -2.854658 -0.061892 -0.000169 C -2.401789 1.299963 -0.000083 C -5.212776 0.630500 -0.000262 H 4.319519 -0.952662 -0.000471 H 1.685377 1.831585 -0.000114 H 2.545692 -2.423378 -0.000382 H 3.776875 1.790673 1.324039 H 5.342690 0.928329 1.285777 H 3.956670 0.239247 2.191194 H 3.956494 0.240237 -2.191610 H 5.342637 0.928808 -1.285998 H 3.776887 1.791285 -1.323729 H 0.110288 -2.942490 -0.000372 H -0.690193 2.615973 -0.000024 H -2.301482 -2.144658 -0.000310 H -3.119701 2.126024 -0.000012 H -6.182696 0.110951 -0.000358 H -5.134752 1.266390 -0.904526 H -5.134934 1.266377 0.904024