%chk=000111293.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111293 0 1 O -2.070100 0.7577000 0.000000 O -1.265300 -1.408100 -3.0000001E-04 O 3.691400 -0.1399000 7.9999998E-04 C 0.2073000 0.4900000 -6.9999998E-04 C -1.102200 -0.1982000 -5.0000002E-04 C -3.416100 0.2705000 8.9999998E-04 C 1.328700 -0.2376000 1.9999999E-04 C 2.626300 0.4656000 -3.9999999E-04 H 0.2206000 1.574900 -1.7000000E-03 H -3.604600 -0.3227000 -0.8991000 H -4.089400 1.131700 1.3000000E-03 H -3.603400 -0.3225000 0.9012000 H 1.340900 -1.320900 1.3000000E-03 H 2.585600 1.567700 -1.7000000E-03 %chk=000111293-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000111293 0 1 O -2.114399 0.787301 0.001019 O -1.319487 -1.412791 0.001691 O 3.804499 -0.150433 -0.001089 C 0.224703 0.490029 0.000709 C -1.102603 -0.177591 0.003035 C -3.500790 0.259710 0.000090 C 1.388184 -0.225243 -0.000648 C 2.701084 0.456892 -0.002977 H 0.222880 1.586737 0.000187 H -3.671417 -0.356656 -0.898413 H -4.140788 1.152167 -0.001440 H -3.673251 -0.354908 0.899439 H 1.374261 -1.322135 -0.000101 H 2.656826 1.575120 -0.000203