%chk=000211920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211920

0 1
O -5.105436 1.451719 2.008951
O -4.828255 -2.338368 -1.179804
O -6.330276 -1.050419 1.017940
N 2.044374 1.098859 -0.592127
N 4.777684 0.244041 -0.222277
N 6.260768 -1.471320 0.497884
C 2.445690 -0.325180 -0.838252
C 3.189658 2.004750 -0.935317
C 3.644871 -0.691899 0.056741
C 4.386759 1.671876 -0.021530
C 0.822682 1.466066 -1.382460
C -0.414401 0.859900 -0.698906
C -1.705844 1.315520 -1.393121
C 6.078546 -0.147122 0.147210
C -2.904000 0.679332 -0.740335
C 7.178978 0.750739 0.053227
C -3.383332 -0.548220 -1.210665
C -3.518319 1.305455 0.349380
C 8.459343 0.267113 0.294752
C -4.645607 0.716840 0.949759
C -4.510629 -1.135367 -0.609056
C -5.187894 -0.489676 0.450655
C 7.524320 -1.906254 0.719135
C 8.652366 -1.077997 0.632567
C -6.066005 0.854500 2.918756
C -5.772874 -3.211602 -0.507397
C -7.552118 -0.590964 0.368815
H 1.586330 -0.980135 -0.572908
H 2.695154 -0.526311 -1.903099
H 3.497983 1.932917 -2.001181
H 2.876034 3.054558 -0.748569
H 3.353964 -0.656524 1.130064
H 3.966289 -1.737437 -0.161572
H 5.240986 2.338373 -0.274024
H 4.113346 1.862140 1.041997
H 0.876287 1.143198 -2.443983
H 0.728936 2.574445 -1.392268
H -0.354808 -0.246540 -0.699031
H -0.430286 1.153271 0.371615
H -1.672769 1.058594 -2.471706
H -1.789702 2.421223 -1.356091
H 7.020255 1.789103 -0.220693
H -2.896324 -1.068778 -2.031011
H -3.135177 2.238580 0.754850
H 9.316197 0.937651 0.221302
H 7.615848 -2.966624 0.985421
H 9.644311 -1.469481 0.824171
H -5.845177 -0.204325 3.093391
H -5.923217 1.454636 3.824861
H -7.069032 0.980563 2.503461
H -5.633400 -3.188731 0.579094
H -6.787195 -2.906583 -0.776900
H -5.517346 -4.190142 -0.930057
H -7.550028 -0.880835 -0.685540
H -8.328173 -1.118814 0.930885
H -7.647632 0.493582 0.470497


%chk=000211920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211920

0 1
O -5.431003 1.419736 1.792175
O -5.256470 -2.261954 -1.522047
O -6.603456 -0.987332 0.709212
N 2.034124 1.146320 -0.480626
N 4.741105 0.405479 0.208561
N 6.194972 -1.417482 0.531367
C 2.424518 -0.283054 -0.362141
C 3.189780 1.942326 -0.959822
C 3.600453 -0.441987 0.615284
C 4.385566 1.818844 0.007687
C 0.830458 1.362688 -1.322319
C -0.462199 0.799675 -0.697953
C -1.720946 1.211156 -1.511213
C 6.050235 -0.071802 0.271191
C -3.003899 0.636097 -0.928186
C 7.199340 0.764816 0.070063
C -3.554860 -0.563168 -1.437827
C -3.636143 1.262474 0.174747
C 8.479078 0.185963 0.118035
C -4.803956 0.711551 0.739480
C -4.731416 -1.120970 -0.885400
C -5.385206 -0.469433 0.196802
C 7.446304 -1.946884 0.574663
C 8.626760 -1.201120 0.371026
C -5.569554 0.669504 3.061597
C -5.575162 -3.421960 -0.660598
C -7.784896 -0.168931 0.339613
H 1.568319 -0.862906 0.023373
H 2.711232 -0.708111 -1.358474
H 3.520297 1.617710 -1.980825
H 2.887890 3.004953 -1.020979
H 3.262237 -0.143636 1.630903
H 3.954422 -1.483232 0.651594
H 5.235881 2.376543 -0.414486
H 4.110087 2.285240 0.978423
H 0.962359 0.931374 -2.350573
H 0.711003 2.457522 -1.449292
H -0.426266 -0.305134 -0.643945
H -0.547496 1.171018 0.340790
H -1.599231 0.871758 -2.558584
H -1.780496 2.317518 -1.535978
H 7.103383 1.838662 -0.107802
H -3.091636 -1.083871 -2.282709
H -3.236933 2.184731 0.610340
H 9.361220 0.818164 -0.034493
H 7.492104 -3.022535 0.785774
H 9.609025 -1.679074 0.417068
H -4.569608 0.430565 3.471605
H -6.100815 1.349779 3.744806
H -6.147355 -0.259124 2.909664
H -4.652727 -3.802515 -0.180375
H -6.318151 -3.150363 0.107173
H -5.980138 -4.182865 -1.345252
H -7.903020 -0.148260 -0.759468
H -8.648767 -0.669194 0.804082
H -7.677645 0.858631 0.731773


