%chk=000160658.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000160658 0 1 O -3.788400 -1.767400 -1.9999999E-04 O -1.703000 -2.466600 -8.9999998E-04 N 0.1660000 -0.9019000 3.9999999E-04 N 0.9835000 1.728100 -3.9999999E-04 N -2.555700 -1.550100 -9.9999997E-05 C -0.7393000 8.9299999E-02 1.9999999E-04 C -0.3242000 1.424900 0.000000 C 1.473800 -0.5986000 1.9999999E-04 C 1.888800 0.7371000 -3.9999999E-04 C -2.102500 -0.1991000 0.000000 C -1.283800 2.435100 1.9999999E-04 C -3.057400 0.8160000 9.9999997E-05 C 2.433400 -1.608900 7.9999998E-04 C 3.252100 1.025300 -7.9999998E-04 C -2.645800 2.140300 5.0000002E-04 C 3.795400 -1.314000 6.0000003E-04 C 4.207000 1.0300000E-02 -3.0000001E-04 H -0.9728000 3.478000 3.0000001E-04 H -4.125400 0.6159000 9.9999997E-05 H 2.122300 -2.651700 1.4000000E-03 H -3.377400 2.942500 6.0000003E-04 H 3.587100 2.060700 -1.3000000E-03 H 4.527500 -2.115600 1.1000000E-03 H 5.264500 0.2557000 -6.0000003E-04 %chk=000160658-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000160658 0 1 O -4.053609 -1.687327 0.002405 O -1.992891 -2.644418 -0.003017 N 0.199090 -0.989923 0.000442 N 1.012960 1.784731 -0.000354 N -2.755905 -1.613600 -0.000238 C -0.729472 0.012330 0.000012 C -0.309752 1.424538 -0.000196 C 1.520208 -0.626417 0.000330 C 1.938068 0.775818 -0.000198 C -2.160774 -0.239099 0.000056 C -1.284168 2.478476 -0.000150 C -3.075899 0.815283 0.000240 C 2.521607 -1.655878 0.000743 C 3.338483 1.094705 -0.000403 C -2.640856 2.176396 0.000140 C 3.870287 -1.311185 0.000541 C 4.280562 0.070524 -0.000051 H -0.910959 3.506876 -0.000328 H -4.140996 0.568781 0.000362 H 2.180165 -2.695186 0.001154 H -3.389386 2.974314 0.000221 H 3.623797 2.151028 -0.000821 H 4.635630 -2.094581 0.000819 H 5.349510 0.309115 -0.000209