%chk=000080719.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000080719 0 1 O -4.748600 -1.140600 8.9999998E-04 N 1.2200000E-02 -1.269100 -6.9999998E-04 N -5.6899998E-02 1.547600 -3.0000001E-04 N 4.878800 -1.144100 1.2000001E-03 C 1.215600 -0.5532000 -6.9999998E-04 C -1.211500 -0.6454000 -3.0000001E-04 C 1.171200 0.8537000 -3.0000001E-04 C -1.160100 0.8551000 -9.9999997E-05 C 2.450600 -1.210900 -6.9999998E-04 C 2.366900 1.579800 1.9999999E-04 C -2.393800 -1.273400 -9.9999997E-05 C 3.636100 -0.4763000 -9.9999997E-05 C -2.455700 1.575400 0.000000 C 3.594400 0.9167000 5.0000002E-04 C -3.677500 -0.5440000 3.0000001E-04 C -3.621800 0.9287000 9.9999997E-05 H 3.9500002E-02 -2.280600 -8.9999998E-04 H 2.483500 -2.298500 -6.9999998E-04 H 2.348200 2.666800 6.9999998E-04 H -2.450300 -2.357700 -1.9999999E-04 H -2.428800 2.660000 0.000000 H 4.512300 1.499000 1.2000001E-03 H -4.560900 1.470400 1.9999999E-04 H 4.910300 -2.154900 -1.0000000E-03 H 5.739100 -0.6123000 -1.9999999E-04 %chk=000080719-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000080719 0 1 O -4.850844 -1.183375 -0.000286 N 0.011482 -1.242317 -0.000243 N -0.032287 1.578626 0.000253 N 4.903149 -1.148157 -0.000095 C 1.227670 -0.563341 -0.000140 C -1.237079 -0.596045 -0.000112 C 1.169778 0.881608 0.000114 C -1.184626 0.879806 0.000183 C 2.463687 -1.242771 -0.000266 C 2.401265 1.598772 0.000253 C -2.440348 -1.284223 -0.000246 C 3.675497 -0.501398 -0.000140 C -2.449725 1.588959 0.000232 C 3.628864 0.936428 0.000136 C -3.717417 -0.573580 -0.000155 C -3.647684 0.911172 0.000098 H 0.018819 -2.265359 -0.000421 H 2.491603 -2.339804 -0.000429 H 2.343578 2.691413 0.000460 H -2.481285 -2.380412 -0.000444 H -2.393557 2.682625 0.000407 H 4.565878 1.504606 0.000286 H -4.608495 1.438554 0.000160 H 4.965269 -2.162625 -0.000424 H 5.769608 -0.616960 -0.000179