%chk=000057055.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000057055 0 1 O -1.295000 1.234700 -1.9999999E-04 O 3.987400 -0.1436000 9.9999997E-05 O -3.909600 -1.079700 1.1000000E-03 O -3.897000 1.119800 1.9999999E-04 N -3.277400 1.6500000E-02 -9.9999997E-05 C 0.3315000 -0.3331000 -3.0000001E-04 C -0.9295000 -0.9855000 -5.0000002E-04 C 5.2200001E-02 1.029700 1.9999999E-04 C -1.880500 8.6000003E-03 -7.9999998E-04 C 1.676400 -0.7430000 1.9999999E-04 C 1.025800 2.027000 1.9999999E-04 C 2.678200 0.2373000 0.000000 C -1.172200 -2.441400 -1.9999999E-04 C 2.356000 1.596900 -9.9999997E-05 C 4.253700 -1.544100 1.9999999E-04 H 1.871100 -1.807900 3.0000001E-04 H 0.7682000 3.079400 3.0000001E-04 H -0.2386000 -3.012200 -1.1000000E-03 H -1.738100 -2.738700 0.8888000 H -1.739900 -2.738800 -0.8880000 H 3.150300 2.340100 -9.9999997E-05 H 5.342000 -1.665600 3.0000001E-04 H 3.880300 -2.026200 -0.9098000 H 3.880300 -2.026000 0.9103000 %chk=000057055-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000057055 0 1 O -1.343701 1.341242 0.000052 O 4.031376 -0.124464 0.000092 O -3.904021 -1.172300 -0.000140 O -4.028830 1.124101 -0.000448 N -3.365025 0.015775 0.000096 C 0.292695 -0.315287 0.000066 C -0.999744 -0.979054 0.000049 C 0.042881 1.086922 0.000046 C -1.932897 0.060062 0.000078 C 1.632236 -0.790718 0.000074 C 1.057241 2.057227 0.000044 C 2.662340 0.173130 0.000074 C -1.254628 -2.457592 0.000038 C 2.377188 1.578417 0.000058 C 4.415650 -1.538338 0.000095 H 1.843787 -1.862891 0.000098 H 0.831299 3.126073 0.000032 H -0.306577 -3.020239 -0.001088 H -1.849219 -2.758860 0.880478 H -1.851216 -2.758517 -0.879143 H 3.226843 2.267076 0.000059 H 5.514730 -1.537486 0.000092 H 4.041595 -2.055042 -0.905367 H 4.041598 -2.055036 0.905563