%chk=000109009.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109009 0 1 O -1.003600 -0.2320000 5.0000002E-04 O -0.3904000 1.975400 6.0000003E-04 N 1.229500 0.2919000 0.000000 N 1.926900 -2.132700 3.0000001E-04 C -2.379500 0.1656000 -3.0000001E-04 C -3.250500 -1.072600 -6.9999998E-04 C -8.3400004E-02 0.7855000 8.9999998E-04 C 2.343800 1.236100 -1.4000000E-03 C 1.607200 -1.017200 1.9999999E-04 H -2.586900 0.7636000 0.8940000 H -2.585900 0.7635000 -0.8950000 H -4.310800 -0.8050000 -1.4000000E-03 H -3.041000 -1.690700 -0.8800000 H -3.042200 -1.690500 0.8790000 H 1.994500 2.272200 -1.3000000E-03 H 2.952100 1.072400 -0.8971000 H 2.953900 1.072900 0.8932000 %chk=000109009-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000109009 0 1 O -0.982097 -0.222869 -0.000464 O -0.338309 2.037828 -0.000766 N 1.250872 0.300013 -0.000593 N 1.788171 -2.198303 -0.000279 C -2.427037 0.178304 -0.000421 C -3.231619 -1.115533 -0.000252 C -0.071025 0.814641 -0.000665 C 2.394022 1.250773 -0.000742 C 1.503043 -1.034539 -0.000409 H -2.610134 0.796257 0.896641 H -2.610235 0.796085 -0.897580 H -4.311049 -0.878779 -0.000223 H -3.006926 -1.720004 -0.894905 H -3.006840 -1.719829 0.894497 H 1.971057 2.266536 -0.000764 H 3.010828 1.103864 -0.902776 H 3.010977 1.103956 0.901203