%chk=000081447.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081447 0 1 O 0.9574000 -1.278700 -1.4900000E-02 O -1.851600 -1.357400 2.4000001E-03 N -0.4990000 0.5427000 -8.9999996E-03 N -2.792500 0.7656000 6.3000000E-03 N 4.257400 -0.1300000 2.9600000E-02 C 0.7584000 -6.6799998E-02 -1.5699999E-02 C -1.727800 -0.1336000 -3.0000001E-04 C 1.869500 0.9641000 -2.2000000E-02 C -4.173500 0.3433000 1.5900001E-02 C 3.201600 0.3509000 7.6000001E-03 H -0.5353000 1.558600 -1.1500000E-02 H 1.763500 1.580400 -0.9219000 H 1.742600 1.617100 0.8489000 H -2.593400 1.760200 4.7300000E-02 H -4.508500 0.2892000 1.054600 H -4.281500 -0.6362000 -0.4564000 H -4.766100 1.086200 -0.5229000 %chk=000081447-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000081447 0 1 O 0.685884 -1.067461 -1.723765 O -2.171213 -0.319013 -1.553782 N -0.350609 0.402422 -0.192351 N -2.547675 0.492433 0.611449 N 2.065581 2.120140 1.591069 C 0.735442 -0.161068 -0.863915 C -1.746040 0.137808 -0.466975 C 2.128209 0.434209 -0.465759 C -4.010793 0.399833 0.532218 C 2.129548 1.368399 0.664657 H -0.137936 1.103740 0.525140 H 2.791006 -0.423539 -0.253642 H 2.530394 0.932087 -1.367733 H -2.122537 0.724350 1.510558 H -4.404116 -0.360194 1.232068 H -4.270929 0.097334 -0.494202 H -4.483016 1.374120 0.752965