%chk=000207645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207645

0 1
O -2.808572 2.795596 0.040932
O -2.931340 -1.536044 1.427038
O -0.348583 -4.169473 -0.072828
N -3.375585 0.004660 -0.195756
N -0.460163 -1.907132 -0.382905
N 0.078815 -0.669112 -0.415529
C -4.104427 0.855077 0.788945
C -2.873424 0.785210 -1.356897
C -3.248091 2.061569 1.203070
C -2.045325 1.991904 -0.881564
C -2.727362 -1.143705 0.291964
C -1.907884 -1.971010 -0.708506
C 0.243004 -3.110125 -0.007150
C 1.654465 -2.886382 0.381781
C 1.356960 -0.523615 -0.085106
C 2.185330 -1.638279 0.333581
C 1.930810 0.841773 -0.143761
C 2.402165 -4.088879 0.831700
C 3.000054 1.105973 -1.013575
C 1.414077 1.859349 0.671394
C 3.548870 2.389613 -1.063537
C 1.969790 3.140691 0.614142
C 3.035613 3.406756 -0.251118
H -4.381524 0.243507 1.680551
H -5.049792 1.192593 0.308757
H -3.760535 1.133748 -1.935251
H -2.267348 0.143861 -2.034008
H -3.831965 2.821137 1.752757
H -2.366227 1.759086 1.794336
H -1.099572 1.680631 -0.400450
H -1.837165 2.704793 -1.698752
H -2.074713 -1.656870 -1.764584
H -2.238917 -3.044487 -0.625773
H 3.220286 -1.436549 0.614155
H 1.995242 -5.014327 0.386123
H 2.323237 -4.213969 1.924501
H 3.469629 -4.042415 0.579959
H 3.394592 0.316134 -1.650722
H 0.584492 1.650024 1.346854
H 4.377577 2.598924 -1.738727
H 1.568261 3.933376 1.244950
H 3.465845 4.406289 -0.293591


%chk=000207645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207645

0 1
O -3.156449 2.903430 -0.733922
O -2.688995 -1.015893 2.089438
O -0.355733 -4.310464 -0.091874
N -3.155691 0.149555 0.127902
N -0.475824 -1.966719 0.004432
N 0.053464 -0.699167 0.015749
C -3.930641 1.172918 0.869195
C -2.934308 0.485915 -1.295261
C -3.288434 2.561090 0.693987
C -2.321927 1.900468 -1.413873
C -2.603273 -0.916538 0.825143
C -1.956617 -2.051750 0.015131
C 0.255202 -3.196228 -0.037367
C 1.715819 -3.030502 -0.012816
C 1.398371 -0.587400 0.022073
C 2.249836 -1.753436 0.010857
C 1.946483 0.794907 0.063586
C 2.535588 -4.292310 -0.008440
C 3.227924 1.092066 -0.474715
C 1.189149 1.848317 0.645655
C 3.737411 2.407806 -0.432143
C 1.698887 3.161897 0.685963
C 2.976086 3.448548 0.147695
H -3.952785 0.873895 1.930444
H -4.964178 1.193552 0.470528
H -3.904288 0.459163 -1.831384
H -2.246621 -0.234569 -1.763221
H -3.926238 3.348065 1.128172
H -2.289614 2.581440 1.180861
H -1.299997 1.895861 -0.982439
H -2.279800 2.218078 -2.468713
H -2.327643 -2.117364 -1.023165
H -2.209856 -3.003150 0.510259
H 3.335150 -1.619071 0.055930
H 2.317174 -4.897522 -0.907671
H 2.259393 -4.927193 0.853391
H 3.616126 -4.077107 0.030110
H 3.821613 0.304555 -0.952497
H 0.212349 1.613308 1.080889
H 4.724379 2.621752 -0.856804
H 1.105706 3.960884 1.144251
H 3.373399 4.468812 0.182065


