%chk=000220394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220394

0 1
O -6.669957 0.116096 -1.573350
O -6.398072 -2.028885 -1.583224
O 3.652463 4.211715 0.592182
N 2.899215 1.576246 0.921052
N -6.061954 -0.897750 -1.267447
N 4.010337 1.912890 0.188460
N 5.461341 3.580515 -0.678163
C -0.055465 -0.061412 0.964851
C -1.264871 -0.308161 1.879990
C 1.234779 0.085672 1.781981
C -2.517236 -0.462754 1.064332
C 2.410997 0.369415 0.875599
C 2.889592 -0.757819 0.030728
C -3.252909 0.672576 0.679602
C -2.953361 -1.741541 0.674059
C -4.411143 0.537107 -0.081284
C -4.110319 -1.889403 -0.086749
C -4.836255 -0.746804 -0.461762
C 2.511655 -0.828597 -1.317838
C 3.715203 -1.745805 0.584464
C 2.959359 -1.890233 -2.108591
C 4.160583 -2.804012 -0.212861
C 3.783593 -2.877393 -1.557842
C 4.303181 3.317636 0.101941
H -0.220824 0.854238 0.360531
H 0.046461 -0.893262 0.238967
H -1.371655 0.530629 2.600672
H -1.090374 -1.206732 2.507385
H 1.121103 0.902939 2.529841
H 1.438753 -0.835454 2.364970
H -2.914048 1.666147 0.976257
H -2.383120 -2.623528 0.965859
H -4.992841 1.414251 -0.386099
H -4.460648 -2.880376 -0.395741
H 1.865649 -0.061805 -1.744612
H 4.007688 -1.687689 1.632266
H 2.663664 -1.949471 -3.155640
H 4.801402 -3.573802 0.215702
H 4.130218 -3.704317 -2.176263
H 4.391905 1.267900 -0.516886
H 6.199339 2.898149 -0.754418
H 5.802071 4.536183 -0.632322


%chk=000220394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220394

0 1
O -6.868069 -0.098285 -1.507239
O -6.502663 -2.349027 -1.441270
O 3.994996 4.305586 0.675171
N 2.903365 1.712152 0.854164
N -6.178964 -1.131750 -1.150303
N 4.017365 2.008470 0.089244
N 5.753087 3.422095 -0.580574
C -0.100905 -0.002593 0.948542
C -1.304153 -0.252856 1.903084
C 1.213097 0.243943 1.735718
C -2.595498 -0.485170 1.140252
C 2.406345 0.486754 0.827579
C 2.909500 -0.641686 -0.026426
C -3.394003 0.611856 0.715799
C -3.008762 -1.799838 0.792733
C -4.568210 0.412964 -0.034218
C -4.178973 -2.023863 0.043061
C -4.944710 -0.908529 -0.362538
C 3.026738 -0.496415 -1.438969
C 3.255696 -1.890741 0.557296
C 3.483208 -1.567467 -2.239038
C 3.719734 -2.958118 -0.242395
C 3.836141 -2.800748 -1.643382
C 4.544731 3.324407 0.115984
H -0.312921 0.876312 0.310113
H 0.016405 -0.871035 0.271667
H -1.408215 0.620868 2.575135
H -1.074769 -1.128636 2.540792
H 1.101409 1.128953 2.387525
H 1.404738 -0.631184 2.391022
H -3.091045 1.631132 0.981673
H -2.405958 -2.655389 1.118482
H -5.193063 1.247016 -0.364324
H -4.510356 -3.029471 -0.228855
H 2.719771 0.443610 -1.913212
H 3.173360 -2.020812 1.642374
H 3.551849 -1.443085 -3.325463
H 3.988341 -3.911643 0.225647
H 4.190391 -3.631171 -2.263683
H 4.483355 1.275272 -0.463984
H 6.271219 2.624364 -0.943392
H 6.171895 4.347055 -0.633194


