%chk=000222051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222051

0 1
O -0.489997 -0.917093 0.535704
O 0.045963 -0.225402 -1.554130
N -4.190997 -0.831417 0.162005
C -2.857534 -0.299874 0.615893
C -4.392170 -0.841153 -1.326395
C -5.383063 -0.110315 0.719769
C -5.330550 0.324101 -1.704562
C -6.003201 0.763426 -0.393309
C -1.816909 -1.338338 0.098948
C 1.970555 1.506212 0.063331
C -2.811923 -0.300783 2.154925
C -2.519081 1.100752 0.081075
C 1.644639 0.013838 0.319179
C 0.821685 2.463832 0.493608
C 1.402384 3.363167 1.610867
C 0.355317 -0.359529 -0.393356
C 3.157012 1.944229 0.900311
C 2.769460 -0.880157 -0.153189
C 2.847806 2.947908 1.729276
C 3.600384 -1.500611 0.791196
C 3.001314 -1.079731 -1.522625
C 4.655933 -2.312421 0.365970
C 4.056890 -1.892705 -1.941114
C 4.886877 -2.509368 -0.998849
H -3.437491 -0.797663 -1.884207
H -4.865743 -1.817717 -1.567381
H -6.097340 -0.899133 1.041247
H -5.137701 0.487791 1.616218
H -6.072919 0.008176 -2.454864
H -4.765004 1.156215 -2.156362
H -5.832239 1.834966 -0.200511
H -7.095891 0.626186 -0.437267
H -1.830566 -1.450328 -1.000096
H -1.935950 -2.322238 0.584691
H 2.194271 1.645849 -1.021151
H -3.384522 0.525550 2.586324
H -3.214504 -1.235277 2.565234
H -1.774951 -0.208895 2.503468
H -3.318396 1.815830 0.295458
H -1.592732 1.484111 0.538767
H -2.362097 1.097599 -1.004144
H 1.487873 -0.128117 1.424957
H 0.492040 3.069273 -0.366867
H -0.076442 1.916937 0.844501
H 0.868963 3.220742 2.567125
H 1.311969 4.433645 1.356523
H 4.108508 1.453289 0.779302
H 3.500187 3.450383 2.423727
H 3.427071 -1.352609 1.855747
H 2.346942 -0.607591 -2.260082
H 5.298588 -2.793376 1.101575
H 4.231815 -2.046992 -3.004935
H 5.708668 -3.142275 -1.327421


%chk=000222051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222051

0 1
O -0.511480 -0.821648 0.594870
O 0.081266 0.122863 -1.459985
N -4.206867 -0.953665 -0.118583
C -3.001448 -0.398308 0.592700
C -4.384628 -0.584305 -1.554877
C -5.563147 -0.754722 0.462055
C -5.441807 0.574985 -1.610382
C -6.176917 0.505721 -0.233017
C -1.829891 -1.265450 0.042971
C 2.126005 1.606372 0.111979
C -3.105424 -0.652229 2.115963
C -2.733877 1.115820 0.343560
C 1.692162 0.136813 0.423041
C 1.102755 2.677807 0.617585
C 1.958066 3.891067 1.101575
C 0.362312 -0.163015 -0.271256
C 3.421542 2.026868 0.797462
C 2.748793 -0.887018 -0.016260
C 3.330672 3.271806 1.333898
C 3.471848 -1.621545 0.955898
C 3.043342 -1.090644 -1.389684
C 4.475080 -2.538874 0.568114
C 4.044445 -2.007576 -1.777933
C 4.765899 -2.733998 -0.801469
H -3.428459 -0.304909 -2.026937
H -4.777123 -1.466602 -2.097957
H -6.177700 -1.642608 0.209169
H -5.532312 -0.679355 1.558941
H -6.138171 0.435809 -2.456503
H -4.948317 1.553573 -1.743557
H -5.979694 1.415008 0.363169
H -7.272096 0.413797 -0.345004
H -1.774640 -1.225110 -1.057226
H -1.950360 -2.305306 0.384526
H 2.241493 1.678890 -0.990116
H -3.789596 0.060562 2.609932
H -3.455782 -1.680563 2.317230
H -2.107187 -0.529487 2.571059
H -3.598215 1.714559 0.681662
H -1.847810 1.450331 0.912508
H -2.546437 1.329441 -0.723124
H 1.532004 0.035229 1.511205
H 0.367599 2.950698 -0.158348
H 0.543727 2.262712 1.479465
H 1.541267 4.367104 2.009320
H 2.018369 4.684405 0.327877
H 4.317091 1.397102 0.796723
H 4.146507 3.802205 1.837141
H 3.247423 -1.475117 2.019422
H 2.475039 -0.542893 -2.150283
H 5.025631 -3.099828 1.331885
H 4.260109 -2.158175 -2.841875
H 5.542139 -3.445698 -1.104424


