%chk=000182572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182572

0 1
O 0.235896 1.261861 -1.907645
O 1.551749 1.130976 1.182897
O 0.447191 3.939533 0.452142
O 3.882946 -0.453642 0.633441
N -3.193167 -1.200815 0.387174
C -0.764053 0.462746 0.710718
C -1.775919 0.713746 -0.428085
C -1.181258 1.437144 -1.619300
C -2.396971 -0.675257 -0.777225
C 0.169632 1.653361 1.106035
C -0.179287 2.538607 -1.342801
C -1.501746 -0.121303 1.936751
C 0.258962 -0.519957 0.196073
C 0.202559 2.813725 0.096852
C -1.380554 -1.795327 -1.155809
C -2.976032 -0.462857 1.675073
C 0.009957 -1.607231 -0.632744
C 1.550522 -0.107990 0.538843
C -4.652749 -1.246917 0.073327
C 1.114328 -2.398861 -0.987235
C 2.657552 -0.900636 0.188756
C 2.408396 -2.063523 -0.562317
C 5.053968 -1.135624 0.123616
H -2.598832 1.379396 -0.053787
H -1.801109 1.471105 -2.520206
H -3.062163 -0.531775 -1.667565
H -0.005141 2.046622 2.129755
H -0.046204 3.390451 -2.018517
H -1.443491 0.570281 2.798251
H -0.971443 -1.043137 2.264511
H -1.339516 -1.876410 -2.261105
H -1.781775 -2.769488 -0.790429
H -3.336318 -1.142312 2.482839
H -3.589344 0.463381 1.742870
H -5.186539 -1.723291 0.912616
H -4.809958 -1.894440 -0.804886
H -5.119501 -0.270625 -0.121762
H 0.974335 -3.277924 -1.611672
H 3.236011 -2.708754 -0.846486
H 5.077668 -2.168681 0.480604
H 5.862926 -0.545018 0.574315
H 5.088972 -1.076839 -0.967787


%chk=000182572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182572

0 1
O 0.083200 1.340707 -2.089718
O 1.576411 1.135086 1.205215
O 0.750280 4.035010 0.280143
O 3.857960 -0.592056 0.722847
N -3.016826 -1.175123 0.460945
C -0.770315 0.602684 0.675450
C -1.839069 0.858390 -0.417343
C -1.312362 1.624612 -1.618731
C -2.455651 -0.540218 -0.772994
C 0.209387 1.772978 1.016268
C -0.226509 2.664353 -1.423692
C -1.502681 0.084770 1.972067
C 0.207400 -0.438142 0.140831
C 0.312294 2.897236 -0.037956
C -1.431280 -1.511938 -1.429818
C -2.952038 -0.370860 1.693378
C -0.075416 -1.492978 -0.738660
C 1.503760 -0.122721 0.552388
C -4.302129 -1.854443 0.244881
C 1.005368 -2.348331 -1.060814
C 2.594248 -0.965751 0.246034
C 2.306916 -2.109595 -0.550845
C 4.985319 -1.450974 0.356536
H -2.655567 1.487788 -0.004865
H -2.023857 1.790310 -2.440790
H -3.277338 -0.362600 -1.506690
H -0.006021 2.260295 1.981825
H -0.170213 3.536498 -2.086217
H -1.530346 0.888085 2.733764
H -0.923879 -0.755066 2.393321
H -1.283040 -1.227958 -2.493318
H -1.875824 -2.525131 -1.426849
H -3.299411 -1.003076 2.532206
H -3.638156 0.517858 1.670984
H -4.558864 -2.462585 1.131241
H -4.227721 -2.539205 -0.619354
H -5.153388 -1.152695 0.050470
H 0.850494 -3.193666 -1.741833
H 3.114892 -2.796214 -0.822583
H 4.858907 -2.475805 0.758208
H 5.864960 -0.977639 0.816615
H 5.116605 -1.497591 -0.742449


