%chk=000189892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189892

0 1
O 0.350721 -1.390985 2.315117
N -0.435400 -0.493936 -1.855944
N -2.324974 -1.019635 -2.965618
N 0.686860 -0.560051 -1.091519
N 2.581488 0.491846 -0.190568
N 4.055373 -0.179683 1.391402
C -2.970515 -2.753813 0.264671
C -2.580333 -3.430132 -1.055276
C -2.022334 -3.121778 1.411578
C -1.252050 -2.909103 -1.625380
C -2.286694 -2.315916 2.689736
C -1.360736 -1.517853 -2.136885
C -1.976441 -0.822727 2.532207
C -0.858251 0.690102 -2.563941
C -2.038976 0.312416 -3.234412
C -0.049707 1.855856 -2.443622
C -0.506245 -0.532552 2.337131
C 1.416327 0.562926 -1.004502
C -2.890421 1.143727 -4.107441
C 1.076992 1.808501 -1.678448
C -0.138590 0.916949 2.200336
C -0.934101 1.813558 1.474842
C 1.046424 1.363707 2.803521
C 3.717028 1.340273 -0.292617
C 2.852304 -0.433100 0.865032
C -0.551339 3.152852 1.363487
C 1.423668 2.705089 2.695201
C 4.601511 0.908086 0.681283
C 0.624355 3.599796 1.977129
H -4.007672 -3.037549 0.528587
H -2.988612 -1.654505 0.123059
H -2.504971 -4.525762 -0.913214
H -3.388119 -3.273077 -1.801465
H -0.965823 -2.966089 1.098206
H -2.106013 -4.202242 1.636705
H -0.454342 -2.975994 -0.847313
H -0.918452 -3.568713 -2.458538
H -1.664467 -2.733342 3.509079
H -3.340301 -2.437425 3.006465
H -2.340220 -0.265144 3.420427
H -2.549817 -0.414455 1.670802
H -0.361175 2.758448 -2.972386
H -3.259497 2.037229 -3.584328
H -3.773942 0.581728 -4.458627
H -2.344012 1.475263 -5.003223
H 1.718918 2.674574 -1.539479
H -1.846955 1.470120 0.988170
H 1.678672 0.655370 3.347492
H 3.798200 2.123757 -1.018593
H 2.133693 -1.195660 1.176056
H -1.170039 3.849239 0.800799
H 2.344724 3.047942 3.165755
H 5.579111 1.285048 0.928208
H 0.917564 4.645617 1.894353


%chk=000189892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189892

0 1
O 0.276486 -1.084911 2.582158
N -0.293666 -0.623581 -2.062825
N -2.232581 -1.091514 -3.094594
N 0.867373 -0.772715 -1.316166
N 2.795009 0.217046 -0.444258
N 4.203732 -0.462889 1.199377
C -2.863805 -2.729579 0.159506
C -2.489469 -3.484213 -1.138974
C -1.903501 -3.016029 1.337940
C -1.159141 -3.008626 -1.786901
C -2.280557 -2.303824 2.660935
C -1.242897 -1.604421 -2.304316
C -2.142817 -0.766165 2.630293
C -0.702301 0.577295 -2.749846
C -1.922566 0.234738 -3.376979
C 0.147674 1.705127 -2.626194
C -0.693652 -0.268768 2.586209
C 1.618499 0.338262 -1.234571
C -2.808738 1.092422 -4.235489
C 1.311880 1.600076 -1.869706
C -0.433854 1.214604 2.562801
C -1.481204 2.171966 2.474476
C 0.912556 1.667939 2.636186
C 4.004742 0.920161 -0.633234
C 2.974119 -0.610471 0.681217
C -1.187072 3.552244 2.452906
C 1.204849 3.045821 2.617291
C 4.854664 0.480195 0.376019
C 0.155620 3.992475 2.523717
H -3.893391 -3.019404 0.454965
H -2.899994 -1.642772 -0.060855
H -2.402347 -4.567610 -0.921408
H -3.297677 -3.362003 -1.884038
H -0.866915 -2.739847 1.073480
H -1.896623 -4.109931 1.522399
H -0.318737 -3.076293 -1.075045
H -0.916781 -3.684911 -2.631061
H -1.636077 -2.696415 3.469930
H -3.327715 -2.556352 2.924955
H -2.623078 -0.322295 3.527132
H -2.691397 -0.342776 1.764335
H -0.128272 2.644186 -3.114048
H -3.135583 2.009936 -3.710920
H -3.705655 0.514127 -4.509541
H -2.305152 1.405376 -5.169805
H 1.966577 2.458339 -1.710371
H -2.525051 1.845963 2.420865
H 1.710558 0.922593 2.718606
H 4.160393 1.599014 -1.466507
H 2.172879 -1.224054 1.085366
H -2.000162 4.283354 2.384309
H 2.245401 3.382174 2.680110
H 5.885960 0.770970 0.561694
H 0.381858 5.064765 2.511971


