%chk=000198506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198506

0 1
O 2.629122 -4.052566 -0.931919
O 2.371933 2.633836 1.139087
O -2.995436 -1.299745 -0.930889
O -3.457701 -2.060212 -3.029530
N 3.291103 -0.873637 0.832771
C 3.356398 -1.790730 -0.344065
C 2.353621 -2.952218 -0.037112
C 3.297573 0.576854 0.484246
C 0.928992 -2.540196 -0.324117
C 4.769327 -2.323728 -0.601801
C 2.615555 1.296841 1.672208
C 4.692826 1.151981 0.225160
C -5.173128 -0.804640 -1.733923
C 0.293173 -2.938385 -1.507165
C 0.243245 -1.744479 0.609948
C -1.680433 -1.761933 -0.829603
C -1.024276 -2.553603 -1.772796
C -1.067888 -1.345296 0.365570
C -3.815664 -1.477529 -2.042311
C -5.764294 -1.474949 -0.489259
C -6.079163 -1.017058 -2.951301
C -4.916887 0.687409 -1.496717
C 1.717024 3.540061 1.940609
C 1.273632 3.298761 3.246395
C 1.527826 4.787194 1.306622
C 0.625975 4.336930 3.927493
C 0.881493 5.796925 2.010155
C 0.428691 5.577877 3.321053
H 2.998107 -1.263017 -1.267204
H 2.464785 -3.314112 1.008855
H 2.657413 0.740082 -0.426151
H 4.036313 -1.089239 1.502317
H 5.166857 -2.894906 0.242385
H 4.778467 -2.979875 -1.483909
H 5.471091 -1.506497 -0.806256
H 1.648212 0.832231 1.931202
H 3.261242 1.379505 2.559346
H 5.139341 0.734807 -0.683131
H 4.630962 2.242790 0.089627
H 5.384883 0.973337 1.053530
H 0.834007 -3.563527 -2.223999
H 0.747204 -1.428717 1.525128
H 3.372886 -4.584487 -0.595037
H -1.519445 -2.864395 -2.695509
H -1.617687 -0.726679 1.069714
H -5.088776 -1.381050 0.372969
H -5.947530 -2.544245 -0.646349
H -6.720044 -1.017194 -0.210354
H -5.646351 -0.583195 -3.862149
H -6.240698 -2.082788 -3.158614
H -7.060844 -0.556102 -2.798150
H -4.491216 1.177002 -2.380435
H -4.215353 0.844736 -0.665013
H -5.845468 1.213331 -1.247828
H 1.417906 2.340740 3.731246
H 1.885426 4.931123 0.290743
H 0.273503 4.167204 4.944876
H 0.724299 6.767676 1.539908
H -0.074834 6.375900 3.859334


%chk=000198506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198506

0 1
O 2.766943 -4.372741 -0.626691
O 1.725103 2.311147 0.709023
O -2.678535 -1.027634 -0.684744
O -3.100335 -1.418758 -2.963598
N 3.604296 -0.900352 0.678740
C 3.725761 -2.094811 -0.195243
C 2.618151 -3.144466 0.183860
C 2.976016 0.316641 0.100595
C 1.212506 -2.630068 -0.070451
C 5.136250 -2.709482 -0.062357
C 2.386022 1.121914 1.271633
C 3.942421 1.164879 -0.759634
C -4.790550 -0.247890 -1.555860
C 0.649273 -2.697379 -1.367528
C 0.450142 -2.050225 0.972362
C -1.371256 -1.597791 -0.584205
C -0.639380 -2.188748 -1.642332
C -0.835338 -1.530778 0.721284
C -3.460498 -0.963593 -1.857596
C -5.534064 -0.998240 -0.413080
C -5.651421 -0.242672 -2.841406
C -4.479617 1.212010 -1.110077
C 1.074357 3.180726 1.597342
C 1.030289 3.003247 3.003549
C 0.435823 4.296425 0.998361
C 0.343597 3.950423 3.799358
C -0.243114 5.230027 1.805179
C -0.294771 5.064313 3.211979
H 3.565953 -1.818924 -1.260548
H 2.749696 -3.366068 1.264878
H 2.130517 -0.016827 -0.527632
H 4.490466 -0.676535 1.149498
H 5.322831 -3.056039 0.973712
H 5.275518 -3.561410 -0.750837
H 5.908424 -1.960556 -0.317008
H 1.654030 0.494627 1.814153
H 3.187872 1.438317 1.974530
H 4.350133 0.563791 -1.593369
H 3.423592 2.043200 -1.180084
H 4.790973 1.529953 -0.147744
H 1.217680 -3.181922 -2.167532
H 0.868219 -2.002127 1.983922
H 3.589055 -4.844990 -0.342920
H -1.066104 -2.251675 -2.643211
H -1.433228 -1.076220 1.516807
H -4.931747 -1.013662 0.510321
H -5.760675 -2.041231 -0.700571
H -6.490805 -0.485660 -0.202978
H -5.132441 0.271783 -3.668378
H -5.875142 -1.270467 -3.176466
H -6.605278 0.278833 -2.643459
H -3.950099 1.768424 -1.904929
H -3.856982 1.226956 -0.199921
H -5.428388 1.738426 -0.897983
H 1.517542 2.148099 3.480903
H 0.484210 4.406955 -0.089483
H 0.311286 3.810988 4.886115
H -0.734187 6.089853 1.335584
H -0.823691 5.792189 3.836068


