%chk=000212373.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212373

0 1
O 3.800369 0.418010 0.801723
O 3.263672 -1.662644 1.567146
N -4.056788 0.316551 -0.954393
N -0.680149 0.608495 0.686555
N 1.869466 0.165336 2.017394
C -5.378273 -0.282331 -0.598394
C -6.169495 0.540441 0.447230
C -6.193036 -0.417893 -1.904481
C -7.535550 -0.101578 0.719529
C -7.557168 -1.060321 -1.625796
C -8.344950 -0.265903 -0.574647
C 5.127283 -0.076162 0.368053
C -1.672447 0.568070 -0.437127
C -3.067966 0.289658 0.164343
C 4.944300 -0.794399 -0.970736
C 5.937826 1.217849 0.258441
C -0.268592 -0.776926 1.090531
C 0.524372 1.418321 0.304879
C 6.308064 -1.059605 -1.618756
C 7.294378 0.932790 -0.397516
C 7.125257 0.233270 -1.753864
C 0.685586 -0.698980 2.298756
C 1.477837 1.511257 1.514013
C 2.979204 -0.486688 1.441653
H -5.188305 -1.306357 -0.184580
H -5.595568 0.615134 1.388123
H -6.308470 1.577076 0.089255
H -6.330675 0.572014 -2.377335
H -5.622546 -1.025081 -2.633528
H -8.102048 0.514791 1.442438
H -7.396796 -1.088348 1.202000
H -7.418504 -2.103421 -1.281847
H -8.138790 -1.124210 -2.564435
H -9.303470 -0.772736 -0.358345
H -8.608697 0.729853 -0.979553
H 5.510394 -0.757877 1.156697
H -4.177543 1.277570 -1.289524
H -1.436986 -0.190450 -1.214740
H -1.681632 1.550295 -0.956393
H -3.082139 -0.713707 0.642272
H -3.284403 1.024762 0.969424
H 4.308778 -0.183781 -1.640017
H 4.396425 -1.745018 -0.810681
H 6.071644 1.668895 1.259351
H 5.369076 1.963133 -0.332471
H -1.183572 -1.337963 1.381783
H 0.207948 -1.349014 0.264849
H 1.066134 1.009902 -0.575284
H 0.182182 2.440244 0.032626
H 6.870912 -1.800315 -1.017425
H 6.164474 -1.522254 -2.613345
H 7.850767 1.880170 -0.527458
H 7.912424 0.305582 0.274278
H 8.117446 0.007968 -2.187243
H 6.626677 0.917291 -2.467409
H 0.163415 -0.255933 3.177774
H 1.029136 -1.718176 2.589744
H 2.389053 2.092296 1.246826
H 0.976761 2.040249 2.357935


%chk=000212373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212373

0 1
O 4.027327 0.556180 0.509307
O 3.421121 -1.491447 1.508967
N -4.489466 0.517452 -0.803265
N -0.858594 0.729141 0.291053
N 1.838327 0.199306 1.131102
C -5.748855 -0.216933 -0.533842
C -6.431545 0.130920 0.822671
C -6.733174 0.019141 -1.703190
C -7.751004 -0.656276 1.018965
C -8.058010 -0.756904 -1.511348
C -8.725957 -0.414697 -0.157913
C 5.429768 0.049891 0.378208
C -2.045375 0.737309 -0.601710
C -3.340854 0.257465 0.088616
C 5.562464 -0.831425 -0.877361
C 6.327425 1.292990 0.310290
C -0.447078 -0.640452 0.697000
C 0.285640 1.448180 -0.327688
C 7.040008 -1.249213 -1.085694
C 7.805935 0.878836 0.097989
C 7.968738 -0.013380 -1.157135
C 0.722347 -0.580522 1.698057
C 1.470688 1.545280 0.652658
C 3.106123 -0.342265 1.086674
H -5.490830 -1.298200 -0.516751
H -5.735322 -0.071149 1.660108
H -6.648868 1.220941 0.836008
H -6.954141 1.107049 -1.769606
H -6.238854 -0.268498 -2.649544
H -8.225693 -0.372301 1.978381
H -7.522973 -1.740877 1.085022
H -7.849344 -1.846434 -1.547626
H -8.749021 -0.536989 -2.348093
H -9.647007 -1.014426 -0.022498
H -9.033959 0.651696 -0.162424
H 5.654044 -0.554404 1.278807
H -4.662557 1.525802 -0.924944
H -1.888705 0.126753 -1.525429
H -2.198870 1.783951 -0.933332
H -3.304448 -0.835573 0.262150
H -3.404643 0.745395 1.090070
H 5.209800 -0.253185 -1.755069
H 4.916473 -1.721309 -0.772791
H 6.213668 1.886697 1.236232
H 5.993120 1.928876 -0.533551
H -1.299075 -1.147200 1.183172
H -0.141928 -1.253657 -0.189983
H 0.631666 0.939638 -1.264547
H -0.044010 2.468920 -0.597560
H 7.359190 -1.899151 -0.244996
H 7.129452 -1.854960 -2.007455
H 8.436578 1.784296 0.012864
H 8.164211 0.322779 0.988973
H 9.023545 -0.332550 -1.263232
H 7.718097 0.579542 -2.061049
H 0.374068 -0.094754 2.631844
H 1.093990 -1.589963 1.936085
H 2.343122 2.005233 0.167352
H 1.169926 2.168636 1.519299


