%chk=000122588.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000122588 0 1 O 0.5812000 1.652300 -1.1600000E-02 N 2.138200 -0.1998000 -0.3391000 C 1.160700 -1.183600 0.1408000 C -0.2391000 -0.6374000 5.4200001E-02 C 1.868300 1.088300 0.3077000 C -0.4494000 0.7466000 6.0000003E-04 C 3.502100 -0.6496000 -7.0100002E-02 C -1.343500 -1.497400 6.7900002E-02 C -1.743700 1.263000 -7.6099999E-02 C -2.637700 -0.9801000 6.0000003E-04 C -2.837200 0.3979000 -7.5000003E-02 H 1.354800 -1.463000 1.184900 H 1.234200 -2.087400 -0.4763000 H 1.956100 1.028300 1.401400 H 2.603300 1.826900 -3.2400001E-02 H 3.695500 -0.7746000 1.001500 H 4.227800 6.7599997E-02 -0.4692000 H 3.696300 -1.605300 -0.5695000 H -1.201600 -2.573300 0.1272000 H -1.907700 2.335700 -0.1321000 H -3.491000 -1.652100 6.3000000E-03 H -3.845500 0.7978000 -0.1302000 %chk=000122588-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000122588 0 1 O 0.610092 1.668848 -0.044919 N 2.149441 -0.188878 -0.199574 C 1.169227 -1.215194 0.210921 C -0.244493 -0.650884 0.123292 C 1.880847 1.090795 0.441463 C -0.455640 0.745763 -0.030880 C 3.552175 -0.626529 -0.170999 C -1.377264 -1.497632 0.160386 C -1.758156 1.276346 -0.181886 C -2.684253 -0.981328 0.028099 C -2.870087 0.411470 -0.152822 H 1.369721 -1.592477 1.249194 H 1.264666 -2.082519 -0.469046 H 1.790131 1.014784 1.555960 H 2.660295 1.821640 0.177253 H 3.921410 -0.893971 0.850241 H 4.200562 0.171305 -0.574749 H 3.671574 -1.516105 -0.815133 H -1.228573 -2.578809 0.278076 H -1.873580 2.356894 -0.311390 H -3.546841 -1.655328 0.054995 H -3.879158 0.822608 -0.266984