%chk=000241418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241418

0 1
O -2.298844 -1.132654 -0.836619
O 2.299935 -1.122222 0.851539
O -4.155886 -0.727713 0.990743
O 4.157212 -0.745649 -0.981636
O -3.990030 1.503748 0.606879
O 3.993314 1.491295 -0.630217
N -2.807869 -0.709621 1.375322
N 2.809192 -0.731969 -1.366370
C -0.429425 -0.647190 0.648906
C 0.430869 -0.656826 -0.640848
C -0.177721 0.639375 1.457288
C 0.180279 0.618213 -1.467633
C -0.426206 1.900126 0.622351
C 0.429859 1.890611 -0.650889
C -1.896882 -0.816497 0.259800
C 1.898185 -0.821750 -0.249357
C -4.672956 0.508235 0.536448
C 4.675378 0.496319 -0.545365
C -6.059760 0.323063 0.074201
C 6.062046 0.316670 -0.080539
C -6.886423 1.454272 -0.036471
C 6.889717 1.448637 0.013607
C -6.544640 -0.949787 -0.265628
C 6.545819 -0.951525 0.277767
C -8.201347 1.304740 -0.479588
C 8.204535 1.304410 0.458790
C -7.861935 -1.088801 -0.709162
C 7.863018 -1.085233 0.723214
C -8.688068 0.035268 -0.814593
C 8.690153 0.039519 0.812223
H -0.136765 -1.530339 1.282345
H 0.137446 -1.548731 -1.261538
H 0.878483 0.624720 1.811115
H -0.785395 0.655910 2.380284
H -0.875933 0.599395 -1.821234
H 0.787978 0.620963 -2.390755
H -0.196103 2.800483 1.223639
H -1.502241 1.982172 0.358964
H 0.200535 2.782437 -1.265051
H 1.505967 1.975496 -0.388708
H -2.652034 0.041456 2.058513
H 2.653988 0.009214 -2.060420
H -6.492789 2.440655 0.220842
H 6.496941 2.431518 -0.258023
H -5.887648 -1.821536 -0.184520
H 5.888050 -1.823779 0.209395
H -8.847970 2.177140 -0.567160
H 8.851937 2.177419 0.533616
H -8.243465 -2.074320 -0.974850
H 8.243692 -2.067116 1.003207
H -9.715985 -0.076963 -1.161516
H 9.717992 -0.068559 1.160692


%chk=000241418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241418

0 1
O -2.284888 -1.227279 -0.706393
O 2.271889 -1.243776 0.736714
O -4.179887 -0.464089 1.156946
O 4.180872 -0.491092 -1.123682
O -4.134725 1.553386 -0.074418
O 4.120302 1.514353 0.126818
N -2.772791 -0.275214 1.354440
N 2.774546 -0.305597 -1.327606
C -0.405931 -0.365871 0.669295
C 0.402369 -0.400781 -0.660758
C -0.128259 0.954879 1.445834
C 0.127960 0.879855 -1.502229
C -0.411106 2.215248 0.592679
C 0.418149 2.179814 -0.714052
C -1.889400 -0.648537 0.344120
C 1.884520 -0.674875 -0.322057
C -4.766417 0.543052 0.283426
C 4.761005 0.514749 -0.244553
C -6.169474 0.185753 -0.034138
C 6.169612 0.169716 0.062821
C -6.965871 1.159052 -0.695159
C 6.947515 1.131442 0.761689
C -6.717185 -1.083922 0.290351
C 6.742027 -1.075126 -0.311672
C -8.304360 0.865594 -1.022507
C 8.291581 0.851305 1.077721
C -8.057282 -1.370321 -0.042272
C 8.087972 -1.347783 0.008427
C -8.852257 -0.398374 -0.695361
C 8.864163 -0.387342 0.699996
H -0.049912 -1.211888 1.292182
H 0.043593 -1.275416 -1.240933
H 0.939422 0.941215 1.736647
H -0.687524 0.988239 2.403191
H -0.940591 0.855703 -1.788296
H 0.682551 0.862403 -2.462850
H -0.158374 3.120845 1.176181
H -1.490188 2.276086 0.344719
H 0.171070 3.056984 -1.341659
H 1.496925 2.247252 -0.466125
H -2.543022 0.366872 2.114977
H 2.547453 0.325608 -2.097840
H -6.520307 2.127889 -0.943941
H 6.483397 2.081033 1.047900
H -6.089613 -1.830742 0.783401
H 6.129548 -1.813817 -0.834982
H -8.919221 1.615251 -1.531551
H 8.891759 1.591795 1.616810
H -8.480684 -2.350262 0.201620
H 8.530729 -2.308143 -0.275685
H -9.892707 -0.626026 -0.952759
H 9.909246 -0.604404 0.947573


