%chk=000267068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267068

0 1
O 1.900561 -3.688068 1.820276
O -1.841763 -3.726876 -1.809058
N 0.305265 -2.025684 1.522153
N -0.273663 -2.038112 -1.514867
N 1.245542 -1.030360 1.474042
N -1.229775 -1.057829 -1.470616
N 2.013611 1.788657 -0.048560
N -2.044891 1.752481 0.042007
C 0.040931 -5.212026 0.010578
C -0.341041 -4.373901 1.239048
C 0.409730 -4.374662 -1.222435
C 0.762217 -3.382803 1.564647
C -0.708802 -3.402533 -1.553050
C 1.921021 1.233766 1.196080
C -1.941710 1.196106 -1.201125
C 0.858499 0.204941 1.344648
C -0.862683 0.184010 -1.345805
C 2.943121 2.764473 -0.248801
C -2.990116 2.713857 0.238563
C 2.742399 1.617129 2.267750
C -2.767542 1.563733 -2.274886
C 3.797966 3.206446 0.785032
C -3.850426 3.139613 -0.797531
C 3.691773 2.620384 2.045529
C -3.733100 2.552259 -2.056445
C 3.025093 3.353007 -1.618630
C -3.083464 3.304277 1.606851
H -0.808604 -5.883677 -0.239004
H 0.900940 -5.868845 0.263763
H -1.330231 -3.897765 1.077576
H -0.481230 -5.043165 2.116449
H 0.560135 -5.046365 -2.096275
H 1.391466 -3.882437 -1.063758
H -0.696864 -1.817930 1.399233
H 0.724943 -1.813941 -1.392163
H -0.171619 0.606525 1.286528
H 0.160765 0.602440 -1.289160
H 2.648346 1.131418 3.236085
H -2.664359 1.077253 -3.241901
H 4.527919 3.987644 0.593831
H -4.593028 3.909521 -0.609263
H 4.347071 2.939464 2.856739
H -4.392239 2.858889 -2.869342
H 4.007894 3.164572 -2.074001
H 2.266489 2.929916 -2.297237
H 2.868344 4.440663 -1.596656
H -4.062979 3.099188 2.062138
H -2.317778 2.896620 2.286943
H -2.946435 4.394527 1.582282


%chk=000267068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267068

0 1
O 2.433606 -3.240853 -0.098730
O -2.402659 -3.291459 0.087524
N 1.744232 -1.998811 1.771301
N -1.722037 -2.033184 -1.774786
N 2.760958 -1.069377 1.671530
N -2.752428 -1.118720 -1.676557
N 3.713892 1.888940 3.513172
N -3.738184 1.832968 -3.511548
C 0.033291 -4.875034 0.001811
C 0.488832 -4.026311 1.208132
C -0.439055 -4.043357 -1.210214
C 1.645786 -3.077273 0.868925
C -1.612179 -3.112890 -0.875325
C 3.821132 0.936082 2.526034
C -3.836553 0.875027 -2.528379
C 2.775325 -0.095999 2.557721
C -2.776693 -0.142639 -2.559534
C 4.644967 2.889073 3.560460
C -4.682383 2.820627 -3.558839
C 4.856259 0.945391 1.552981
C -4.875783 0.866521 -1.559731
C 5.707999 2.963115 2.619602
C -5.750790 2.876160 -2.622724
C 5.810630 1.980104 1.608757
C -5.844253 1.888096 -1.615961
C 4.496399 3.914548 4.665994
C -4.539993 3.855966 -4.656039
H -0.790158 -5.530032 0.338081
H 0.869294 -5.516173 -0.330158
H -0.376175 -3.467431 1.613107
H 0.834834 -4.705786 2.013559
H -0.774867 -4.734925 -2.009586
H 0.415214 -3.472490 -1.620951
H 1.030732 -1.916470 2.513102
H -1.006105 -1.937812 -2.512650
H 2.030067 0.020252 3.368272
H -2.029641 -0.013158 -3.366416
H 4.884390 0.157957 0.794890
H -4.896469 0.075750 -0.804874
H 6.436507 3.778248 2.685099
H -6.490343 3.681255 -2.688759
H 6.623845 2.023041 0.876335
H -6.661470 1.916723 -0.887304
H 4.466470 4.942628 4.260478
H 3.567256 3.724137 5.224741
H 5.346485 3.865776 5.372447
H -4.449960 4.875303 -4.236663
H -3.642032 3.639059 -5.254639
H -5.420494 3.854236 -5.325485


