%chk=000185244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185244

0 1
O -1.072207 -1.067612 -0.468333
O -2.506851 -2.294577 0.762095
O 3.152769 1.170821 0.001240
N -0.515851 -2.872203 -3.213849
C -4.380345 -0.089217 0.944502
C -2.934723 0.139515 0.405754
C -5.040439 1.306196 1.111581
C -4.486362 1.099362 -1.353229
C -3.012900 0.824982 -0.981370
C -5.133139 1.993406 -0.272689
C -5.204586 -0.931353 -0.049961
C -5.246435 -0.242647 -1.425763
C -2.115690 0.957895 1.432226
C -4.252696 2.141412 2.138110
C -2.778211 2.304076 1.748276
C -2.232943 -1.218318 0.293141
C -0.238875 -2.241752 -0.682883
C 1.187106 -1.848436 -0.357038
C -0.390031 -2.595245 -2.101132
C 1.569352 -0.507016 -0.372836
C 2.114430 -2.856262 -0.046424
C 2.901739 -0.196682 -0.056013
C 3.434896 -2.514606 0.258142
C 3.846702 -1.178661 0.260954
C 4.438726 1.651255 -0.271069
C 5.252231 1.128533 -1.281446
C 4.796231 2.774891 0.487821
C 6.472518 1.762627 -1.532537
C 6.017794 3.390205 0.210730
C 6.856236 2.885500 -0.791595
H -4.334306 -0.611870 1.925291
H -6.073737 1.158072 1.505036
H -4.529537 1.610947 -2.339763
H -2.534916 0.202893 -1.761784
H -2.441904 1.771273 -0.975355
H -4.640522 2.981038 -0.258790
H -6.189406 2.186453 -0.527873
H -6.227359 -1.073257 0.342575
H -4.775290 -1.947997 -0.132664
H -4.798793 -0.892495 -2.198510
H -6.290259 -0.071377 -1.741335
H -1.089831 1.123107 1.046417
H -2.001012 0.375222 2.368040
H -4.325011 1.659739 3.132467
H -4.721520 3.136792 2.251338
H -2.697346 2.974757 0.869430
H -2.225120 2.805534 2.565321
H -0.608362 -3.079885 -0.024048
H 0.857510 0.284058 -0.616226
H 1.811916 -3.901776 -0.042635
H 4.153706 -3.298334 0.501774
H 4.870266 -0.910525 0.514562
H 4.938020 0.265957 -1.864427
H 4.127059 3.147020 1.260121
H 7.125796 1.378624 -2.316331
H 6.320861 4.267836 0.781962
H 7.808146 3.371203 -0.996197


%chk=000185244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185244

0 1
O -1.274015 -0.442421 -1.187171
O -2.025203 -2.063518 0.310452
O 3.907743 1.401776 -1.068997
N 0.065968 -1.233144 -4.213231
C -4.355559 -0.494719 0.983738
C -3.146506 0.160621 0.241158
C -5.259400 0.645242 1.540786
C -5.251876 0.934860 -1.001631
C -3.701922 1.000878 -0.970756
C -5.836600 1.468193 0.333164
C -5.184429 -1.386098 0.023124
C -5.691269 -0.539892 -1.193128
C -2.330394 1.057705 1.247717
C -4.478559 1.520756 2.553144
C -3.211722 2.135348 1.917083
C -2.151626 -0.919430 -0.184888
C -0.147897 -1.381796 -1.562415
C 1.115330 -1.000702 -0.804732
C -0.030323 -1.289234 -3.026414
C 1.996752 -0.013581 -1.298897
C 1.375428 -1.632119 0.437896
C 3.131695 0.344778 -0.542157
C 2.513684 -1.257996 1.184093
C 3.399271 -0.267703 0.705604
C 5.302207 1.493683 -0.810024
C 6.150309 0.362082 -0.794328
C 5.821026 2.799252 -0.675213
C 7.539610 0.552522 -0.622989
C 7.212741 2.973616 -0.510305
C 8.076428 1.853438 -0.478077
H -3.971724 -1.109280 1.820565
H -6.097856 0.161075 2.080484
H -5.620931 1.549263 -1.846367
H -3.294989 0.625076 -1.925337
H -3.367928 2.051896 -0.882947
H -5.594759 2.543408 0.445156
H -6.940451 1.395313 0.304915
H -6.038542 -1.805805 0.588277
H -4.577353 -2.246164 -0.310829
H -5.279340 -0.928662 -2.144221
H -6.793254 -0.592530 -1.278045
H -1.486658 1.529297 0.709546
H -1.899662 0.403364 2.033500
H -4.183185 0.893758 3.419931
H -5.133785 2.324078 2.944059
H -3.500636 2.898593 1.168520
H -2.614912 2.665563 2.684042
H -0.471229 -2.401423 -1.273652
H 1.820873 0.482430 -2.258838
H 0.684540 -2.392130 0.817669
H 2.714350 -1.735569 2.148886
H 4.273591 0.029506 1.292472
H 5.737944 -0.642864 -0.929150
H 5.134245 3.650276 -0.706970
H 8.202942 -0.319366 -0.614344
H 7.620469 3.984991 -0.406201
H 9.154842 1.992602 -0.348926


