%chk=000218398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218398

0 1
O -1.102967 0.573732 0.993339
O -1.794739 0.349933 -1.197663
O 8.325525 0.994205 -0.917872
N 2.248063 -0.128467 -0.409749
N 5.079491 -0.399890 -0.973813
N 7.625553 -0.848086 0.240654
C 0.068282 0.813192 0.169576
C 0.977670 -0.420724 0.322102
C -2.266732 0.302620 0.165830
C 3.281897 0.456188 0.506616
C 2.793533 -1.359624 -1.069562
C -0.500461 0.994137 -1.245498
C 4.532105 0.831900 -0.311756
C 4.044735 -0.985593 -1.889863
C -2.790426 -1.090308 0.445222
C -3.307843 1.373829 0.423101
C 6.329090 -0.077888 -1.728266
C -3.859015 -1.616408 -0.303997
C -4.495278 1.406390 -0.331310
C -2.210791 -1.849096 1.472460
C -3.088715 2.326379 1.428629
C -4.508907 -0.870623 -1.390361
C -4.784409 0.441972 -1.401892
C -4.320314 -2.916482 -0.014752
C -5.445507 2.413098 -0.066802
C 7.504853 0.101371 -0.762436
C -2.682150 -3.130275 1.755729
C -4.039809 3.312762 1.687311
C -3.739416 -3.663970 1.007955
C -5.221026 3.354364 0.936243
C 8.708484 -0.759069 1.239436
H 0.522730 1.731806 0.590168
H 0.457258 -1.307116 -0.105410
H 1.113588 -0.647885 1.400802
H 3.566196 -0.232798 1.332014
H 2.860260 1.372376 0.972523
H 2.016149 -1.762664 -1.754702
H 3.046922 -2.162724 -0.343595
H -0.655898 2.048418 -1.523827
H 0.051875 0.459242 -2.035955
H 4.278315 1.634730 -1.038807
H 5.311578 1.240422 0.367624
H 4.464855 -1.903198 -2.354203
H 3.758659 -0.295243 -2.713767
H 6.576470 -0.911416 -2.424250
H 6.259673 0.839334 -2.357745
H -1.389885 -1.419011 2.052043
H -2.163333 2.283707 2.009387
H -4.788455 -1.488005 -2.251509
H -5.285742 0.879354 -2.272903
H -5.144829 -3.334895 -0.589840
H -6.366948 2.448837 -0.645682
H -2.232193 -3.713275 2.556317
H -3.865123 4.047600 2.470269
H -4.109071 -4.664468 1.227907
H -5.965375 4.123586 1.136929
H 6.875849 -1.509659 0.426915
H 9.437490 0.026217 0.950942
H 9.249655 -1.717793 1.297983
H 8.317250 -0.504848 2.237663


%chk=000218398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218398

0 1
O -1.081228 0.033106 1.164419
O -1.766655 -0.102434 -1.077765
O 8.617738 1.019372 -1.198182
N 2.312457 -0.323338 -0.457633
N 5.140470 -0.210544 -1.094188
N 7.433545 -0.295842 0.342226
C 0.067100 0.455690 0.313098
C 1.074645 -0.709446 0.259836
C -2.293747 -0.041297 0.314137
C 3.257850 0.453825 0.381842
C 3.007780 -1.476331 -1.083382
C -0.573501 0.771031 -1.055870
C 4.446194 0.943615 -0.459937
C 4.193028 -0.990662 -1.933798
C -3.037639 -1.340610 0.585206
C -3.133871 1.230023 0.502999
C 6.376062 0.198637 -1.803641
C -4.156680 -1.718812 -0.223113
C -4.268641 1.483732 -0.335430
C -2.567390 -2.217199 1.590451
C -2.733240 2.203086 1.449139
C -4.805124 -0.857452 -1.217354
C -4.852833 0.513789 -1.266906
C -4.711028 -3.020933 -0.033462
C -4.902998 2.759055 -0.240290
C 7.585633 0.364516 -0.856158
C -3.160457 -3.481178 1.789685
C -3.400544 3.441824 1.553764
C -4.229487 -3.892920 0.958626
C -4.482699 3.728233 0.688299
C 8.465886 -0.316523 1.378622
H 0.513116 1.354305 0.777338
H 0.590140 -1.543514 -0.281021
H 1.274093 -1.060353 1.300814
H 3.642842 -0.163942 1.233521
H 2.736111 1.327920 0.811369
H 2.290662 -2.015004 -1.729118
H 3.389300 -2.194576 -0.314316
H -0.865792 1.834608 -1.142241
H 0.069400 0.476838 -1.898396
H 4.076009 1.659649 -1.232525
H 5.166691 1.478199 0.185821
H 4.727356 -1.862709 -2.354068
H 3.801107 -0.378259 -2.781289
H 6.645797 -0.584254 -2.537801
H 6.268006 1.149815 -2.370551
H -1.714771 -1.899291 2.195238
H -1.881788 1.971955 2.095597
H -5.411554 -1.393695 -1.960707
H -5.492514 0.952211 -2.045608
H -5.552738 -3.327908 -0.665957
H -5.758066 2.967827 -0.894694
H -2.780077 -4.147151 2.571983
H -3.070707 4.181942 2.291090
H -4.684259 -4.881025 1.089862
H -4.997432 4.693693 0.745502
H 6.525759 -0.769549 0.451561
H 9.310614 0.296303 1.022274
H 8.828513 -1.344560 1.567202
H 8.092255 0.106712 2.329780


