%chk=000281720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281720

0 1
O 2.712102 3.060317 0.666634
O -1.286319 1.627624 -1.130130
O -3.832462 1.259317 -0.488219
N 1.488204 -2.958008 -0.912721
C 0.897093 -0.132552 -0.339147
C 1.401536 -2.458920 0.488931
C 1.785134 -0.997548 0.547477
C 1.109506 -0.640054 -1.794884
C -0.567437 -0.353262 0.044049
C 0.007102 -2.579330 1.156293
C 0.764145 -2.129079 -1.927175
C -0.969107 -1.506624 0.754156
C 1.283414 1.321941 -0.257202
C 2.787184 -0.544728 1.306936
C 3.147753 0.904330 1.409914
C 2.279756 1.753480 0.525817
C -1.580538 0.541203 -0.343804
C -2.313289 -1.707388 1.116565
C -2.930135 0.328016 0.029742
C -3.304930 -0.790141 0.766061
C 2.024190 4.082698 -0.092353
C -4.531386 2.029831 0.524537
H 2.127519 -3.088697 1.071577
H 2.166276 -0.468205 -2.079036
H 0.492222 -0.044066 -2.491941
H 0.139715 -2.536528 2.259431
H -0.422118 -3.579150 0.947629
H -0.339077 -2.261736 -1.873234
H 1.090411 -2.498663 -2.925454
H 1.132018 -3.920026 -0.954745
H 0.701441 1.989827 -0.888667
H 3.410833 -1.210546 1.901172
H 3.059113 1.250759 2.464249
H 4.216880 1.056936 1.137377
H -2.592137 -2.597662 1.676936
H -4.344188 -0.948812 1.042862
H -2.133122 2.136760 -1.331847
H 0.967242 4.115355 0.188350
H 2.148950 3.903106 -1.164273
H 2.547875 4.993307 0.221288
H -5.165025 1.372601 1.125785
H -5.137439 2.713334 -0.081041
H -3.816405 2.571484 1.149208


%chk=000281720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281720

0 1
O 3.065041 3.040214 0.637534
O -1.231806 1.792025 -1.038171
O -3.702699 1.587012 -0.249046
N 1.276097 -2.906929 -0.962012
C 0.964526 -0.072667 -0.284722
C 1.369291 -2.459958 0.453278
C 1.854833 -1.026289 0.508331
C 1.035099 -0.571799 -1.784735
C -0.512557 -0.229104 0.183944
C 0.043043 -2.501852 1.278441
C 0.550843 -2.030783 -1.915196
C -0.931745 -1.378873 0.927520
C 1.462330 1.364148 -0.182586
C 2.953970 -0.647801 1.203264
C 3.432036 0.780545 1.321290
C 2.561355 1.725649 0.530954
C -1.513952 0.697806 -0.196647
C -2.280013 -1.514847 1.333030
C -2.864456 0.547838 0.226130
C -3.258703 -0.550468 1.006105
C 2.331708 4.089558 -0.071782
C -5.117303 1.534737 0.113789
H 2.102661 -3.123609 0.950096
H 2.086882 -0.490998 -2.115359
H 0.415950 0.087579 -2.420570
H 0.312168 -2.436439 2.353304
H -0.457072 -3.481623 1.137005
H -0.556522 -2.055992 -1.782847
H 0.763756 -2.391937 -2.939939
H 0.985026 -3.890471 -1.034255
H 0.877994 2.103233 -0.734184
H 3.553570 -1.413370 1.716438
H 3.455799 1.101830 2.384060
H 4.480183 0.871436 0.966348
H -2.574066 -2.400328 1.908798
H -4.294495 -0.675982 1.335595
H -2.085970 2.288335 -1.169803
H 1.285564 4.156512 0.286094
H 2.328540 3.904206 -1.164063
H 2.868768 5.024046 0.150423
H -5.594321 0.618466 -0.284208
H -5.573867 2.423091 -0.347110
H -5.244985 1.574354 1.212564


