%chk=000207089.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207089

1 1
O 0.387002 -1.432289 -0.602336
O -0.463105 -0.782745 1.376006
O -3.762219 1.256139 0.477165
N 3.743062 -0.654507 0.210250
C 2.445474 -2.523477 -1.058150
C 2.322667 -0.768258 0.759726
C 3.678089 -0.333164 -1.290124
C 4.446836 -2.011810 0.388570
C 1.567656 -1.929209 0.065267
C 2.846790 -1.397482 -2.026094
C 3.705994 -3.107466 -0.398108
C 4.536045 0.418432 0.962697
C 3.899636 1.810682 0.896103
C 4.816681 2.846698 1.569717
C -0.649531 -0.915990 0.198162
C -1.822796 -0.595611 -0.720913
C 4.192581 4.236671 1.531320
C -3.088676 -1.054196 -0.052032
C -1.810237 0.887611 -0.973004
C -3.965955 -0.124610 0.524177
C -2.754135 1.722114 -0.355336
C -3.429292 -2.415512 0.028847
C -0.866669 1.479324 -1.830104
C -5.140774 -0.501603 1.193891
C -2.759288 3.117110 -0.536062
C -4.592960 -2.811927 0.684270
C -0.860809 2.857403 -2.028169
C -5.442151 -1.858136 1.271310
C -1.802831 3.674273 -1.376839
H 1.876710 -3.313637 -1.605171
H 1.770606 0.189779 0.599971
H 2.342329 -0.917380 1.863139
H 4.712429 -0.283904 -1.696236
H 3.231811 0.679160 -1.426840
H 4.484233 -2.263452 1.472424
H 5.501080 -1.927010 0.042581
H 1.239685 -2.690483 0.808814
H 3.411180 -1.805049 -2.888095
H 1.927547 -0.942505 -2.458176
H 4.370044 -3.547559 -1.171405
H 3.445785 -3.955461 0.268684
H 4.639247 0.106044 2.029779
H 5.570452 0.454468 0.544736
H 3.711119 2.119364 -0.152632
H 2.910652 1.823648 1.400890
H 5.013169 2.559263 2.623068
H 5.805953 2.870650 1.069325
H -1.690344 -1.144931 -1.696233
H 3.230858 4.276483 2.058091
H 4.023668 4.591246 0.507585
H 4.847364 4.974928 2.017247
H -2.779150 -3.163823 -0.423793
H -0.143559 0.847794 -2.344944
H -5.786755 0.259983 1.631090
H -3.509998 3.725048 -0.029577
H -4.851535 -3.869263 0.744019
H -0.136364 3.311065 -2.702163
H -6.348411 -2.183772 1.786996
H -1.788690 4.753943 -1.541581


%chk=000207089-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207089

1 1
O 0.502312 -1.822351 -0.834204
O -0.546490 -1.743060 1.241795
O -2.579616 1.312448 0.956663
N 3.548013 -0.581370 0.088924
C 2.744195 -2.697073 -1.222686
C 2.323573 -1.209032 0.772951
C 3.171757 -0.208130 -1.361239
C 4.664670 -1.647989 0.041176
C 1.719047 -2.315148 -0.135319
C 2.946499 -1.501204 -2.188666
C 4.088179 -2.984930 -0.500726
C 4.050920 0.647183 0.880157
C 3.141019 1.885893 0.843767
C 3.709493 2.992072 1.772117
C -0.596585 -1.533825 0.014016
C -1.732844 -0.866253 -0.785272
C 2.840097 4.266721 1.742001
C -3.034912 -0.926992 -0.003252
C -1.301291 0.584347 -1.029968
C -3.371086 0.131713 0.870520
C -1.701817 1.584669 -0.107665
C -3.898352 -2.044826 -0.061041
C -0.475759 0.962374 -2.116099
C -4.511613 0.087708 1.694141
C -1.250767 2.918655 -0.226835
C -5.051953 -2.108367 0.748747
C -0.031279 2.294694 -2.260975
C -5.350724 -1.044002 1.633865
C -0.409568 3.269178 -1.301675
H 2.397491 -3.585189 -1.773585
H 1.593900 -0.412210 0.972909
H 2.664139 -1.618777 1.738110
H 3.993775 0.412735 -1.755120
H 2.256481 0.401873 -1.305251
H 5.066393 -1.744281 1.063548
H 5.456042 -1.237575 -0.607840
H 1.434819 -3.179547 0.489020
H 3.806492 -1.705854 -2.849896
H 2.058093 -1.369679 -2.824718
H 4.806598 -3.433826 -1.206563
H 3.942975 -3.710908 0.318945
H 4.189859 0.299268 1.920698
H 5.046055 0.888669 0.463120
H 3.063536 2.289323 -0.182732
H 2.113747 1.645651 1.177835
H 3.769166 2.609560 2.810503
H 4.744724 3.241867 1.464695
H -1.817039 -1.399553 -1.748854
H 1.805326 4.052674 2.067224
H 2.794532 4.697021 0.724610
H 3.251602 5.038528 2.414886
H -3.659507 -2.873913 -0.738196
H -0.197943 0.204124 -2.858288
H -4.730427 0.932818 2.352804
H -1.593927 3.659258 0.501463
H -5.711854 -2.979657 0.695455
H 0.577905 2.581186 -3.124700
H -6.241868 -1.090693 2.267866
H -0.078004 4.307100 -1.411364


