%chk=000212506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212506

0 1
O -1.590246 -0.139638 1.604624
O 0.368422 3.626225 -0.083777
N -4.287309 1.194927 -0.211816
N -3.615689 0.105078 0.451855
N -1.675452 2.957718 1.741835
C -3.631536 2.396215 0.287282
C -2.519105 2.071985 1.022744
C -2.424105 0.588695 1.111235
C -3.733137 -1.216404 -0.115133
C -5.763739 1.152785 0.018284
C -4.136546 3.730777 -0.088790
C -0.276028 2.495040 1.909189
C 0.578574 2.687800 0.657158
C -3.327810 -2.300778 0.687146
C -4.257717 -1.431834 -1.401048
C 1.676245 1.710530 0.424135
C -3.471402 -3.598768 0.197313
C -4.398606 -2.740794 -1.867543
C 3.771266 -0.084980 -0.068390
C 1.533676 0.356252 0.759918
C 2.863538 2.160144 -0.176469
C -4.012159 -3.824560 -1.073627
C 2.575804 -0.537909 0.513024
C 3.910729 1.270028 -0.412413
C 4.879225 -1.033176 -0.323198
C 6.149451 -0.796179 0.225480
C 4.662489 -2.172266 -1.114586
C 7.192004 -1.694699 -0.015303
C 5.710749 -3.064079 -1.355304
C 6.975207 -2.827936 -0.805947
H -1.685583 3.901847 1.322386
H -6.231445 1.929218 -0.608753
H -6.060688 1.309646 1.067594
H -6.162671 0.173655 -0.301889
H -3.306373 4.433355 -0.277662
H -4.755438 4.166983 0.711949
H -4.741237 3.711848 -1.008690
H 0.174087 3.086771 2.742974
H -0.263807 1.433885 2.270279
H -2.890090 -2.122917 1.672257
H -4.533686 -0.591581 -2.037060
H -3.158165 -4.442059 0.812680
H -4.806828 -2.914290 -2.862743
H 0.597354 -0.008324 1.204809
H 2.956303 3.210597 -0.462392
H 2.462621 -1.589613 0.775875
H 4.831839 1.620375 -0.876429
H -4.124868 -4.840604 -1.444741
H 6.318604 0.084178 0.843753
H 3.678757 -2.355434 -1.545296
H 8.175576 -1.511172 0.414258
H 5.541464 -3.945182 -1.972382
H 7.789482 -3.525281 -0.993459


%chk=000212506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212506

0 1
O -2.343965 -0.945536 0.709575
O 0.930023 3.162653 0.262438
N -5.000391 1.283761 -0.175947
N -4.496402 0.003822 0.234111
N -1.398303 1.908699 0.116035
C -3.860572 2.145791 -0.229562
C -2.704369 1.443102 0.087918
C -3.077235 0.050950 0.404983
C -5.300542 -1.164044 0.090381
C -6.179527 1.745481 0.612126
C -4.012663 3.591556 -0.597703
C -0.229854 1.049658 0.018208
C 1.034170 1.900103 0.147551
C -5.003691 -2.317116 0.863942
C -6.384947 -1.181462 -0.826697
C 2.361025 1.221342 0.118322
C -5.797558 -3.473428 0.715082
C -7.178333 -2.341454 -0.950503
C 4.955554 0.002932 0.061150
C 2.497006 -0.191486 0.026132
C 3.539046 2.014775 0.183302
C -6.891866 -3.493162 -0.181433
C 3.771069 -0.785565 -0.001023
C 4.809451 1.417527 0.154325
C 6.302953 -0.631451 0.032094
C 7.399645 -0.050303 0.728528
C 6.530226 -1.835198 -0.692428
C 8.675951 -0.650424 0.702264
C 7.806428 -2.435530 -0.720287
C 8.886730 -1.846476 -0.022752
H -1.187580 2.909676 0.159352
H -6.504345 2.715204 0.203023
H -5.934401 1.861454 1.687474
H -7.004745 1.024827 0.503564
H -3.052586 3.980915 -0.981521
H -4.308000 4.231015 0.257964
H -4.767160 3.723915 -1.394317
H -0.249577 0.256151 0.791329
H -0.183609 0.510059 -0.955312
H -4.151587 -2.300663 1.546447
H -6.571785 -0.304821 -1.455094
H -5.560988 -4.362593 1.310069
H -8.012360 -2.348561 -1.661338
H 1.611218 -0.834600 -0.009428
H 3.425877 3.102156 0.245870
H 3.851381 -1.877235 -0.036681
H 5.702305 2.051902 0.172469
H -7.507170 -4.393492 -0.283866
H 7.244843 0.858105 1.321387
H 5.711483 -2.286434 -1.264169
H 9.503309 -0.190997 1.254435
H 7.960504 -3.356854 -1.292868
H 9.877916 -2.312546 -0.043723


