%chk=000182507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182507

0 1
O 0.744588 -2.873284 0.349919
O -2.465015 -0.147412 1.591621
O 0.882454 1.088968 -0.345356
N -1.736580 1.062022 -0.222719
N 2.186415 -0.603743 0.475412
C -0.396999 -2.208531 0.833971
C -0.257640 -0.633438 0.862034
C -0.127011 -1.501372 2.126061
C -1.719307 -2.874081 0.468663
C -1.573668 0.128861 0.799355
C 0.957487 0.035009 0.277742
C -1.950463 -2.807140 -1.041480
C -1.724725 -4.312676 0.987326
C -2.919387 1.839886 -0.457207
C 3.466623 -0.112002 0.050571
C -2.841626 2.816175 -1.474717
C 4.562858 -0.989136 0.198448
C -4.116878 1.647625 0.250825
C 3.654390 1.179337 -0.467872
C -3.966627 3.582571 -1.774598
C 5.836426 -0.559248 -0.172764
C -5.230828 2.427889 -0.066436
C 4.938946 1.587457 -0.833429
C -5.164328 3.392397 -1.075646
C 6.030842 0.726747 -0.688992
H 0.838547 -1.592738 2.622801
H -0.930354 -1.418228 2.872581
H -2.551168 -2.309553 0.982249
H 0.594872 -3.211854 -0.567157
H -1.208935 -3.378281 -1.609136
H -2.935336 -3.218079 -1.302144
H -1.936093 -1.771356 -1.406843
H -0.898240 -4.905229 0.577871
H -2.659196 -4.822479 0.723471
H -1.634266 -4.342959 2.080640
H -0.900088 1.344151 -0.779255
H 2.187582 -1.560919 0.865721
H -1.914173 2.977182 -2.020289
H 4.425642 -1.991232 0.597167
H -4.177468 0.901315 1.049364
H 2.805875 1.860407 -0.588713
H -3.909959 4.336816 -2.558953
H 6.685672 -1.232651 -0.059104
H -6.160020 2.279942 0.483838
H 5.086222 2.590219 -1.235469
H -6.036812 3.994672 -1.315222
H 7.027049 1.054373 -0.976151


%chk=000182507-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182507

0 1
O 0.845935 -2.901299 0.350945
O -2.675993 -0.392226 1.416280
O 0.772999 1.250388 -0.378828
N -1.821382 1.158633 -0.123490
N 2.094839 -0.535511 0.318727
C -0.367944 -2.247653 0.810283
C -0.337772 -0.613858 0.772772
C -0.161327 -1.472706 2.068800
C -1.636390 -3.041636 0.482200
C -1.713377 0.069336 0.712856
C 0.876684 0.101538 0.190074
C -1.812167 -3.221226 -1.046495
C -1.610874 -4.401374 1.223517
C -2.968366 1.951754 -0.396076
C 3.389747 -0.064860 -0.047373
C -2.781368 3.059348 -1.270332
C 4.464067 -0.983922 0.113190
C -4.260030 1.694270 0.140413
C 3.653680 1.244771 -0.531369
C -3.865166 3.894508 -1.604770
C 5.782104 -0.602648 -0.205564
C -5.335940 2.540493 -0.206485
C 4.981251 1.611868 -0.842553
C -5.152808 3.640255 -1.075469
C 6.050455 0.700863 -0.685923
H 0.830781 -1.478856 2.531140
H -1.011785 -1.403622 2.753851
H -2.486841 -2.451824 0.863145
H 0.710240 -3.231762 -0.573288
H -1.038806 -3.883479 -1.490485
H -2.784469 -3.698155 -1.260817
H -1.790525 -2.250543 -1.575055
H -0.752030 -5.021789 0.907882
H -2.538420 -4.964443 1.014882
H -1.540412 -4.256068 2.316605
H -0.899073 1.482036 -0.496065
H 2.028722 -1.536997 0.566334
H -1.784746 3.259404 -1.682659
H 4.263371 -1.993515 0.494047
H -4.397311 0.851395 0.819388
H 2.827317 1.943886 -0.663014
H -3.704493 4.743943 -2.278086
H 6.598635 -1.321509 -0.076083
H -6.328004 2.336124 0.212475
H 5.177364 2.623993 -1.214055
H -5.995900 4.289635 -1.334910
H 7.074830 0.999442 -0.932565


