%chk=000211842.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211842

0 1
O 4.210068 1.955591 0.053931
O -5.727352 0.753032 -0.391141
O -4.925593 -1.141737 0.564170
N -2.809870 0.946883 -0.804585
N 2.277028 2.033317 1.257631
C -0.169188 0.270389 0.232842
C -0.680997 1.683033 0.254391
C -1.265356 -0.756646 0.143754
C -1.695758 1.950292 -0.869025
C -2.272598 -0.441754 -0.974928
C 1.137899 -0.058163 0.321230
C -3.847187 1.272735 -1.836428
C 1.623932 -1.463017 0.332460
C 2.232757 0.908311 0.391405
C 2.467157 -1.950466 -0.690218
C 2.910736 -1.055973 -1.818383
C 3.969443 -0.040142 -1.351465
C 3.411371 0.869953 -0.332800
C -5.104179 0.411538 -1.660472
C 1.265651 -2.306709 1.394777
C 2.908474 -3.279864 -0.643555
C 3.441540 2.626945 1.043567
C 1.713410 -3.629448 1.431977
C 2.530487 -4.117891 0.409123
C 4.072558 3.817078 1.624742
C -5.445475 -0.057830 0.692049
C -5.939398 0.606810 1.928752
H -1.156305 1.861995 1.245067
H 0.135655 2.430313 0.187424
H -0.873316 -1.781722 -0.012192
H -1.802780 -0.784330 1.119143
H -2.134030 2.962436 -0.728335
H -1.173217 1.951867 -1.850117
H -1.801087 -0.606361 -1.966099
H -3.131867 -1.151579 -0.884078
H -3.482262 1.170889 -2.881857
H -4.133978 2.341203 -1.691210
H 3.322552 -1.650862 -2.657459
H 2.031914 -0.518390 -2.236373
H 4.852075 -0.574096 -0.930601
H 4.352180 0.540721 -2.218109
H -4.895352 -0.674875 -1.692805
H -5.888082 0.676663 -2.391636
H 0.639023 -1.920106 2.198624
H 3.554674 -3.665021 -1.430030
H 1.427292 -4.276271 2.258981
H 2.877841 -5.148734 0.433677
H 5.022661 3.564601 2.125360
H 4.298935 4.573197 0.855151
H 3.414535 4.287286 2.376698
H -6.683710 1.389584 1.715573
H -5.099873 1.094351 2.453321
H -6.384839 -0.122326 2.621080


%chk=000211842-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211842

0 1
O 4.230026 1.992476 0.128679
O -5.742399 0.949862 -0.299102
O -5.029456 -1.036467 0.713761
N -2.800046 0.895689 -0.886674
N 2.187567 2.070495 1.149715
C -0.176725 0.209318 0.241553
C -0.715077 1.630576 0.283310
C -1.292090 -0.819203 0.133657
C -1.702893 1.893123 -0.878307
C -2.267960 -0.480944 -1.022006
C 1.163178 -0.111243 0.240974
C -3.852525 1.224076 -1.867921
C 1.654088 -1.537085 0.240235
C 2.242723 0.905104 0.314912
C 2.580315 -2.012666 -0.738721
C 3.098168 -1.093147 -1.835253
C 4.123105 -0.053298 -1.299827
C 3.485784 0.862850 -0.304413
C -5.185141 0.506776 -1.603424
C 1.238972 -2.421562 1.271482
C 3.038169 -3.351696 -0.667722
C 3.356698 2.676288 1.018953
C 1.705272 -3.751955 1.334684
C 2.608582 -4.224442 0.356481
C 3.859389 3.925572 1.657442
C -5.511344 0.115705 0.802594
C -5.930834 0.810992 2.078455
H -1.267538 1.768260 1.235191
H 0.093377 2.376268 0.270336
H -0.902089 -1.838113 -0.022124
H -1.887525 -0.824859 1.069112
H -2.145653 2.900203 -0.760827
H -1.134982 1.885987 -1.845925
H -1.738871 -0.612306 -2.002416
H -3.107156 -1.195677 -0.980636
H -3.549037 0.988465 -2.923570
H -4.034696 2.314110 -1.821148
H 3.588539 -1.691042 -2.624403
H 2.258775 -0.547341 -2.307910
H 4.983972 -0.581152 -0.842015
H 4.527792 0.542233 -2.142234
H -5.083486 -0.592081 -1.594431
H -5.934474 0.808458 -2.354098
H 0.555834 -2.046872 2.041752
H 3.739973 -3.712820 -1.430084
H 1.369638 -4.410625 2.143363
H 2.976111 -5.256051 0.392212
H 4.764776 3.731185 2.260060
H 4.121721 4.686880 0.900760
H 3.075164 4.330172 2.314882
H -6.843400 1.407312 1.919949
H -5.126438 1.502431 2.388979
H -6.087673 0.068479 2.874708


