%chk=000211534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211534

0 1
O 6.299316 -3.472783 0.875302
O -0.019952 -1.879038 -0.258560
O -6.322472 -2.563250 0.482737
N 4.251310 -1.579492 0.266874
N 1.005000 0.127477 -0.599346
N 1.030817 1.472027 -0.643796
C 3.042047 -0.742649 0.547034
C 5.388619 -1.216462 1.174477
C 3.936313 -3.040440 0.402524
C 2.327661 -0.542923 -0.807155
C 6.608882 -2.067459 0.784769
C 5.190555 -3.845090 0.029787
C -0.164867 -0.671460 -0.334201
C -1.413086 0.105723 -0.177052
C -0.103561 2.140478 -0.449815
C -1.363001 1.467187 -0.212864
C -2.668816 -0.634653 0.009579
C -0.047437 3.620027 -0.493366
C -3.859790 -0.157726 -0.580819
C -2.704085 -1.816867 0.767776
C -0.628297 4.367367 0.544186
C 0.578206 4.273873 -1.565793
C -5.060514 -0.829454 -0.401011
C -3.901309 -2.507522 0.966348
C -5.069904 -2.005143 0.380618
C -0.588874 5.762728 0.499284
C 0.612193 5.670696 -1.602356
C 0.028171 6.415809 -0.573439
C -6.458324 -3.791845 1.238228
H 3.334925 0.247945 0.957650
H 2.348960 -1.197100 1.287930
H 5.152033 -1.368688 2.249319
H 5.621947 -0.139618 1.032591
H 3.102712 -3.288097 -0.290290
H 3.600964 -3.317844 1.425392
H 2.138250 -1.523906 -1.305417
H 2.959809 0.065067 -1.492962
H 6.953540 -1.841080 -0.239797
H 7.439267 -1.960031 1.503873
H 5.077211 -4.921253 0.247511
H 5.477546 -3.693193 -1.025560
H -2.257329 2.079016 -0.076427
H -3.838166 0.742886 -1.195944
H -1.779404 -2.212454 1.200282
H -1.099121 3.862236 1.385964
H 1.041108 3.691470 -2.362638
H -5.986901 -0.477835 -0.849463
H -3.906220 -3.417324 1.557228
H -1.037868 6.343490 1.303736
H 1.097326 6.178286 -2.435017
H 0.055668 7.503649 -0.605109
H -5.863494 -4.587385 0.780110
H -7.532416 -3.997238 1.139293
H -6.185147 -3.626634 2.284190


%chk=000211534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211534

0 1
O 6.444195 -3.399682 0.837851
O -0.016011 -2.002089 -0.222278
O -6.501152 -2.489772 0.749971
N 4.282468 -1.545955 0.269520
N 0.969576 0.068121 -0.639834
N 1.029867 1.437102 -0.698086
C 3.044378 -0.765371 0.478786
C 5.378276 -1.185512 1.205526
C 4.053008 -3.015528 0.287771
C 2.268794 -0.611322 -0.852329
C 6.659211 -1.943073 0.817452
C 5.349985 -3.751055 -0.084328
C -0.167927 -0.738772 -0.318534
C -1.425975 0.021239 -0.153237
C -0.122284 2.110659 -0.473745
C -1.348854 1.415512 -0.209680
C -2.711244 -0.679991 0.069290
C -0.033554 3.596668 -0.530565
C -3.949412 -0.036621 -0.246089
C -2.776478 -1.994001 0.613793
C -1.035381 4.423286 0.046856
C 1.077193 4.219539 -1.164488
C -5.182018 -0.658667 -0.011532
C -4.010871 -2.628576 0.861584
C -5.221368 -1.960805 0.553444
C -0.934196 5.830007 -0.015949
C 1.177510 5.623544 -1.225233
C 0.170576 6.438138 -0.653796
C -6.600037 -3.841550 1.311144
H 3.313941 0.243329 0.842977
H 2.374640 -1.232149 1.239503
H 5.117231 -1.433148 2.265188
H 5.562688 -0.096454 1.142563
H 3.259461 -3.277596 -0.435270
H 3.713518 -3.355332 1.298381
H 2.055068 -1.600623 -1.285334
H 2.853350 -0.003785 -1.558811
H 6.981609 -1.626458 -0.198219
H 7.469395 -1.754326 1.541233
H 5.228988 -4.843195 0.005925
H 5.639809 -3.490024 -1.125071
H -2.255143 2.004909 -0.049883
H -3.950285 0.952166 -0.717705
H -1.844890 -2.519496 0.832999
H -1.888919 3.979301 0.570646
H 1.851635 3.584359 -1.604402
H -6.126159 -0.169451 -0.268884
H -4.013231 -3.636625 1.286679
H -1.714393 6.449821 0.439668
H 2.038401 6.084853 -1.721901
H 0.247407 7.529860 -0.703306
H -6.114053 -4.585332 0.651003
H -7.678366 -4.047270 1.373800
H -6.149973 -3.889306 2.321328


