%chk=000268052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268052

0 1
O -1.477552 2.323503 -1.716350
O -2.997369 0.738048 -2.232465
O 0.544499 -3.111737 -1.604152
N -1.796842 1.364042 1.464558
N 2.755496 -1.594990 -0.823889
C -1.877524 -1.089196 -0.313589
C -1.135342 0.210400 -0.701963
C -2.853563 -0.846861 0.877345
C -0.667375 1.007332 0.543263
C -3.080107 0.652925 1.153850
C -0.929280 -2.248278 0.064179
C 0.349796 0.206884 1.399259
C -4.198784 -1.550134 0.606174
C 1.484249 -0.330398 0.610615
C -2.007464 1.051166 -1.614795
C 0.371756 -2.315900 -0.700123
C 1.461363 -1.416997 -0.273564
C -2.025833 2.840924 1.481449
C -5.078592 -1.643448 1.849609
C 2.826115 0.180996 0.616094
C 3.598277 -0.630232 -0.288236
C 3.464367 1.246316 1.292868
C 4.977812 -0.390487 -0.515018
C -2.152296 3.239046 -2.619522
C 4.804449 1.473266 1.066218
C 5.554904 0.657297 0.166608
H -2.462560 -1.411715 -1.216567
H -0.229941 -0.029399 -1.325026
H -2.405521 -1.284698 1.805779
H -0.147408 1.933013 0.172620
H -3.644440 1.115267 0.314624
H -3.721587 0.761282 2.058925
H -1.475038 -3.206463 -0.084380
H -0.695276 -2.202210 1.153979
H -0.176179 -0.618984 1.932005
H 0.712868 0.870369 2.213921
H -4.008681 -2.571602 0.218974
H -4.743549 -1.023748 -0.204216
H -1.127561 3.333103 1.888420
H -2.857134 3.077042 2.163700
H -2.245204 3.279136 0.494072
H -4.574802 -2.174757 2.665263
H -5.358575 -0.653371 2.227609
H -6.008277 -2.182920 1.632680
H 2.979811 -2.308109 -1.497414
H 2.889635 1.866578 1.978127
H 5.541498 -1.015019 -1.199984
H -2.137834 2.829808 -3.635022
H -1.546337 4.147017 -2.536295
H -3.181455 3.395814 -2.282797
H 5.319196 2.286105 1.574233
H 6.612390 0.883772 0.027244


%chk=000268052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268052

0 1
O -1.655003 2.329326 -1.548605
O -2.700903 0.445907 -2.409602
O 0.708769 -3.427645 -1.061396
N -1.832474 1.205512 1.609703
N 2.803400 -1.676746 -0.674666
C -1.795606 -1.147231 -0.177933
C -1.076361 0.179557 -0.550505
C -2.991315 -0.874558 0.810865
C -0.670680 1.016815 0.688197
C -3.117793 0.629969 1.156011
C -0.849785 -2.247211 0.414355
C 0.524840 0.381847 1.502419
C -4.317151 -1.450581 0.246093
C 1.627267 -0.249583 0.693437
C -1.915097 0.954259 -1.575524
C 0.489686 -2.432931 -0.289395
C 1.561119 -1.452530 -0.055070
C -1.958173 2.580061 2.125846
C -5.507665 -1.398387 1.228658
C 2.966289 0.265147 0.510497
C 3.680311 -0.653032 -0.349478
C 3.638769 1.420684 0.998584
C 5.029070 -0.440728 -0.720424
C -2.361450 3.131082 -2.577832
C 4.977453 1.633556 0.630326
C 5.664096 0.710917 -0.220764
H -2.206245 -1.551712 -1.121997
H -0.146211 -0.053059 -1.108288
H -2.769715 -1.392803 1.767325
H -0.327756 2.002248 0.313733
H -3.557717 1.182048 0.283600
H -3.839016 0.747772 1.986498
H -1.379766 -3.215189 0.359948
H -0.663926 -2.031492 1.482619
H 0.074654 -0.346003 2.199532
H 0.947680 1.181737 2.138118
H -4.136966 -2.505295 -0.045608
H -4.570864 -0.912576 -0.689071
H -0.995277 2.912696 2.553620
H -2.710746 2.608016 2.935429
H -2.260823 3.318577 1.343115
H -5.258105 -1.900105 2.183326
H -5.805465 -0.359644 1.461488
H -6.391607 -1.906835 0.802172
H 2.961353 -2.492826 -1.267518
H 3.122184 2.132552 1.652018
H 5.562270 -1.142406 -1.370438
H -2.079146 2.789383 -3.587573
H -2.033501 4.164971 -2.400773
H -3.453036 3.030776 -2.455833
H 5.510805 2.517063 0.997464
H 6.708528 0.907428 -0.487808


