%chk=000181848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181848

0 1
O 1.083134 -2.348689 -0.086719
O 5.021027 -0.282629 -0.194299
O 5.223583 2.067674 0.037039
O -3.731587 -1.818526 0.360417
O -1.524012 -3.525681 0.001029
O 3.219857 -2.683321 -0.294770
N -5.035662 2.543087 -0.398615
C 0.096691 -0.136948 0.236351
C 1.399104 0.474173 0.190775
C -1.065375 0.651326 0.419722
C -2.340931 0.027194 0.464677
C 1.522110 1.874781 0.328477
C -0.029416 -1.545097 0.095225
C 2.552449 -0.370986 0.003966
C -3.594109 0.832385 0.662275
C -2.438171 -1.363335 0.317716
C -0.901646 2.081647 0.556540
C -1.271479 -2.177459 0.132684
C 3.773687 0.264665 -0.031385
C 0.327261 2.662093 0.513231
C -4.087729 1.414016 -0.678026
C 2.805738 2.510169 0.287567
C 3.885473 1.695911 0.110553
C 2.398714 -1.819096 -0.136599
C 5.981312 0.833566 -0.156275
C -6.371162 2.031632 0.032346
C -5.184966 3.406831 -1.609053
C -3.980372 -3.248432 0.340265
C -0.385297 -4.420866 -0.123153
H -4.388320 0.200738 1.116761
H -3.423388 1.653437 1.391489
H -1.802463 2.687239 0.696807
H 0.439932 3.741907 0.617988
H -4.529210 0.605447 -1.297869
H -3.220861 1.811420 -1.250305
H 2.899815 3.589208 0.394155
H 6.472668 0.880880 -1.137714
H 6.627201 0.684667 0.719858
H -6.249589 1.436996 0.951829
H -6.890907 1.410364 -0.711424
H -7.018183 2.886729 0.283965
H -4.204088 3.837186 -1.866258
H -5.851754 4.249854 -1.366744
H -5.584672 2.896509 -2.497170
H -3.477163 -3.733561 1.182985
H -3.647187 -3.670595 -0.614835
H -5.070767 -3.282362 0.442240
H -0.878982 -5.396378 -0.180267
H 0.259319 -4.339799 0.758331
H 0.174174 -4.192771 -1.037382


%chk=000181848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181848

0 1
O 1.136430 -2.287924 -0.402255
O 5.140556 -0.304115 -0.271715
O 5.373633 2.041065 0.184574
O -3.721016 -1.815465 0.028987
O -1.482431 -3.442715 -0.511556
O 3.389970 -2.601374 -0.631170
N -5.194328 2.511202 -0.470058
C 0.151915 -0.100346 0.158985
C 1.467781 0.484642 0.167565
C -1.022687 0.697137 0.392679
C -2.317223 0.083284 0.371443
C 1.616799 1.891639 0.433669
C 0.009995 -1.489068 -0.110830
C 2.623357 -0.348648 -0.091213
C -3.583494 0.888560 0.601795
C -2.417959 -1.305078 0.108129
C -0.832459 2.108257 0.644634
C -1.254135 -2.114336 -0.144532
C 3.880259 0.274215 -0.056582
C 0.430254 2.677652 0.669458
C -4.099469 1.540016 -0.710378
C 2.921807 2.484292 0.455201
C 4.010922 1.661811 0.213504
C 2.485722 -1.781556 -0.387538
C 6.131587 0.798777 -0.106163
C -6.437017 1.878417 0.018992
C -5.446985 3.355467 -1.656734
C -4.039396 -3.150637 0.577019
C -0.549890 -4.508372 -0.073515
H -4.357598 0.215742 1.004550
H -3.417905 1.693173 1.340504
H -1.708444 2.739238 0.819599
H 0.546399 3.748974 0.867733
H -4.403545 0.726748 -1.417462
H -3.266079 2.090612 -1.187211
H 3.049424 3.551507 0.654649
H 6.683916 0.920861 -1.052579
H 6.784339 0.559858 0.750366
H -6.252771 1.356105 0.972701
H -6.866160 1.138520 -0.704611
H -7.197236 2.658297 0.204745
H -4.516023 3.872593 -1.950660
H -6.202625 4.123944 -1.412234
H -5.816699 2.779773 -2.543757
H -3.526393 -3.316485 1.542792
H -3.757231 -3.940816 -0.134387
H -5.130276 -3.130511 0.730901
H -1.113888 -5.442914 -0.220187
H -0.285590 -4.383577 0.992490
H 0.365689 -4.501243 -0.681937


