%chk=000221378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221378

0 1
O -0.200356 -4.459501 1.410019
O 0.361570 4.948309 0.495931
O -0.603780 0.786246 -1.688061
N 0.104071 -1.621459 1.247569
N 0.105469 2.130595 0.929422
C 0.761424 -0.281448 1.057002
C -0.379988 0.732403 0.721094
C 0.019242 -2.460786 0.008985
C 0.789352 -2.410472 2.326894
C 2.011781 -0.323429 0.195584
C 0.989874 2.662317 -0.156238
C -1.060841 3.061084 1.124695
C -1.108883 0.519675 -0.616033
C -0.807918 -3.714989 0.333993
C -0.045248 -3.671202 2.606446
C 1.474319 4.063490 0.244396
C -0.513555 4.441769 1.521405
C 2.003211 -0.434027 -1.197058
C 3.247715 -0.290545 0.869827
C -2.529206 0.047586 -0.557147
C 3.206486 -0.509125 -1.919454
C 4.443884 -0.370050 0.156004
C 4.430752 -0.481463 -1.236890
C -3.394414 0.439900 -1.592274
C -3.005967 -0.777137 0.470901
C 3.171231 -0.630708 -3.408287
C -4.727923 0.025334 -1.587779
C -4.338261 -1.198156 0.468089
C -5.200338 -0.794091 -0.556956
H 1.095000 0.063612 2.087748
H -1.138653 0.558056 1.548161
H 1.019571 -2.764411 -0.375095
H -0.475594 -1.880971 -0.797605
H 1.828270 -2.696769 2.050512
H 0.849533 -1.789269 3.244976
H 0.484618 2.695302 -1.149064
H 1.867081 1.989482 -0.272428
H -1.706699 2.666416 1.936659
H -1.690891 3.158264 0.213955
H -1.847145 -3.466070 0.610984
H -0.796728 -4.445469 -0.494158
H 0.473131 -4.370862 3.285497
H -1.045006 -3.420892 3.002190
H 1.996651 4.572142 -0.584899
H 2.115129 4.035255 1.143055
H 0.035383 4.404801 2.478967
H -1.307092 5.208098 1.560776
H 1.060331 -0.438086 -1.748347
H 3.276838 -0.194530 1.953253
H 5.394495 -0.344079 0.687170
H 5.366771 -0.544437 -1.786422
H -3.011190 1.066281 -2.402244
H -2.332412 -1.104288 1.271312
H 2.338224 -0.062233 -3.847580
H 3.040684 -1.679956 -3.711280
H 4.091751 -0.267435 -3.882829
H -5.397038 0.336148 -2.388601
H -4.705320 -1.841781 1.265908
H -6.240191 -1.119937 -0.553949


%chk=000221378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221378

0 1
O -0.132893 -4.567826 1.405073
O 0.382325 4.985652 0.635008
O -0.703948 0.716778 -1.814030
N 0.171520 -1.680824 1.204567
N 0.013970 2.113568 0.756248
C 0.759104 -0.308303 0.991697
C -0.404795 0.686046 0.632787
C -0.005323 -2.527622 -0.009105
C 0.884113 -2.464109 2.253108
C 2.069107 -0.302935 0.188009
C 0.816523 2.732800 -0.332782
C -1.066372 3.042510 1.185943
C -1.210386 0.463188 -0.673477
C -0.810515 -3.784852 0.357335
C 0.073193 -3.726085 2.594098
C 1.426904 4.044675 0.188978
C -0.433606 4.356281 1.683647
C 2.142320 -0.484285 -1.218630
C 3.284032 -0.173583 0.912192
C -2.664708 0.086363 -0.575389
C 3.384964 -0.538669 -1.898765
C 4.530226 -0.221513 0.250671
C 4.581392 -0.403469 -1.148985
C -3.522110 0.410005 -1.663143
C -3.193974 -0.622045 0.538875
C 3.426980 -0.747759 -3.403373
C -4.885393 0.057699 -1.627476
C -4.556878 -0.988914 0.564257
C -5.407352 -0.641577 -0.511479
H 1.034328 0.039012 2.007220
H -1.106649 0.528692 1.469345
H 0.974297 -2.837062 -0.440231
H -0.551460 -1.964587 -0.785492
H 1.906409 -2.764831 1.922599
H 0.985831 -1.840228 3.161670
H 0.193861 2.947208 -1.230614
H 1.619302 2.046314 -0.640815
H -1.642934 2.578882 2.008677
H -1.773532 3.279081 0.355413
H -1.825867 -3.495349 0.705039
H -0.895686 -4.463866 -0.507120
H 0.612962 -4.361298 3.316208
H -0.912087 -3.431600 3.018612
H 1.970842 4.571030 -0.612699
H 2.117265 3.826137 1.032222
H 0.196475 4.147163 2.575794
H -1.209736 5.096774 1.940773
H 1.220751 -0.536253 -1.805647
H 3.251659 -0.019256 1.998256
H 5.458260 -0.109022 0.822730
H 5.549754 -0.434782 -1.663326
H -3.092784 0.935671 -2.522670
H -2.529341 -0.924892 1.356786
H 2.578886 -0.246543 -3.902360
H 3.366299 -1.824056 -3.657613
H 4.363102 -0.358871 -3.841262
H -5.542354 0.322597 -2.463194
H -4.955654 -1.546599 1.418771
H -6.467415 -0.918159 -0.484227


