%chk=000191075.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191075

0 1
O 5.338387 -0.020386 -1.073933
O 4.266614 -2.671821 0.825626
O 2.872446 -2.395694 -0.932871
O -7.227883 -0.442942 0.567892
N 0.059251 2.090000 0.068401
N -1.873979 -1.099947 -0.574957
C 2.414876 0.380531 -0.176963
C 2.492415 1.828807 0.366552
C 1.006364 -0.186186 0.074348
C -0.054324 0.727374 -0.574101
C 3.504867 -0.481351 0.499565
C 1.385037 2.698202 -0.271643
C 3.878368 2.438140 0.099916
C 4.922005 0.116959 0.285284
C 4.985746 1.585634 0.726562
C -1.451425 0.221957 -0.363151
C -1.076965 2.995981 -0.307638
C -2.537633 1.012912 0.003649
C -2.390853 2.458103 0.302292
C 3.477280 -1.907299 -0.008574
C -3.699851 0.170599 0.043019
C -3.261590 -1.156110 -0.321414
C -5.053169 0.393188 0.342037
C -4.149563 -2.244470 -0.387589
C -5.904516 -0.702353 0.267097
C -5.481236 -2.011923 -0.090309
C 4.431535 -4.071867 0.475531
H 2.605322 0.383399 -1.278701
H 2.311345 1.803394 1.471194
H 0.804558 -0.267409 1.161253
H 0.931577 -1.209480 -0.342343
H 0.130543 0.774807 -1.684488
H 3.312983 -0.507802 1.605930
H 1.420409 3.719442 0.166207
H 1.551921 2.810474 -1.363506
H 3.925370 3.465493 0.510901
H 4.053300 2.546000 -0.987715
H 5.683291 -0.506147 0.817490
H 5.977921 1.996984 0.448523
H 4.932646 1.643888 1.831085
H -1.192539 3.109562 -1.406602
H -0.866975 4.004383 0.107919
H -3.251675 3.036786 -0.085346
H -2.381269 2.604784 1.404889
H -1.295159 -1.873848 -0.832851
H 4.756395 0.483416 -1.679313
H -5.421800 1.374890 0.621539
H -3.798142 -3.234822 -0.663671
H -6.204853 -2.819741 -0.127237
H 4.877883 -4.496425 1.380507
H 5.106381 -4.138861 -0.383821
H 3.461111 -4.523006 0.244385
H -7.785147 -1.252102 0.501043


%chk=000191075-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191075

0 1
O 5.441655 -0.043434 -1.019981
O 4.286255 -2.734550 0.842256
O 3.011662 -2.321538 -1.059537
O -7.328241 -0.458356 0.612853
N 0.043398 2.114343 0.008427
N -1.895572 -1.074401 -0.549822
C 2.419430 0.383357 -0.128974
C 2.495269 1.851450 0.371252
C 0.997141 -0.176893 0.109071
C -0.063117 0.737331 -0.553440
C 3.520909 -0.481433 0.538185
C 1.373939 2.693578 -0.274406
C 3.894087 2.454566 0.117372
C 4.953621 0.130100 0.362735
C 4.992081 1.608850 0.802115
C -1.476399 0.251570 -0.362244
C -1.084680 2.999125 -0.385963
C -2.565018 1.040166 0.001696
C -2.411717 2.519105 0.248372
C 3.544188 -1.908539 -0.003603
C -3.724199 0.173608 0.055603
C -3.275923 -1.152277 -0.300234
C -5.092606 0.387501 0.359682
C -4.159074 -2.247584 -0.355066
C -5.969676 -0.710820 0.303039
C -5.517342 -2.017552 -0.049090
C 4.475123 -4.130039 0.376110
H 2.591416 0.380430 -1.229900
H 2.306578 1.845916 1.466193
H 0.782077 -0.234764 1.193448
H 0.931313 -1.194386 -0.317872
H 0.165558 0.758448 -1.657855
H 3.331829 -0.537839 1.629086
H 1.400172 3.719779 0.138843
H 1.568915 2.775609 -1.379075
H 3.936528 3.494436 0.494898
H 4.084644 2.516664 -0.975721
H 5.667094 -0.467025 0.953636
H 5.997495 2.007878 0.574241
H 4.858914 1.657065 1.901967
H -1.202789 3.040152 -1.499264
H -0.847572 4.021976 -0.039503
H -3.254957 3.087986 -0.190987
H -2.399994 2.740007 1.334170
H -1.295409 -1.852077 -0.814768
H 4.818765 0.404398 -1.647270
H -5.481944 1.371635 0.636044
H -3.816644 -3.252226 -0.625980
H -6.231260 -2.851037 -0.083296
H 5.091692 -4.604264 1.152222
H 4.987262 -4.135652 -0.600322
H 3.499287 -4.635064 0.278578
H -7.856566 -1.291181 0.543981


