%chk=000213711.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213711

0 1
O -1.526749 -0.423586 2.210803
N -0.599262 0.114319 0.198606
C 0.779496 0.219813 0.760388
C 1.506430 -1.099282 0.539705
C 1.420556 1.486275 0.230929
C 2.677566 -0.574726 -1.712290
C 1.654865 0.505433 -2.078926
C 2.315949 -1.457029 -0.546950
C 1.776624 1.653818 -1.118101
C 1.273145 -2.049396 1.560422
C 1.607615 2.550390 1.127443
C 2.897365 -2.746069 -0.571489
C 2.300124 2.879809 -1.555448
C 1.846322 -3.314917 1.523889
C 2.136132 3.766454 0.689304
C 2.671720 -3.664629 0.447193
C 2.476682 3.933453 -0.656370
C -1.677707 -0.228027 1.014583
C -2.994425 -0.324283 0.304492
C -3.719825 -1.519620 0.390764
C -3.509372 0.770198 -0.401618
C -4.959054 -1.623102 -0.247682
C -4.751449 0.661696 -1.033386
C -5.473625 -0.534440 -0.959574
H 0.660433 0.343382 1.886610
H 3.657847 -0.093522 -1.487254
H 2.860642 -1.202091 -2.611493
H 0.627909 0.085728 -2.077902
H 1.826542 0.839050 -3.122643
H -0.688424 0.189517 -0.811338
H 0.612485 -1.781379 2.393335
H 1.335235 2.430714 2.177122
H 3.536424 -3.027404 -1.407518
H 2.574975 3.011107 -2.600280
H 1.655044 -4.028034 2.322892
H 2.278967 4.582789 1.394780
H 3.130302 -4.651033 0.408749
H 2.882257 4.882546 -1.002781
H -3.319750 -2.359054 0.961958
H -2.951260 1.705412 -0.448367
H -5.525743 -2.550987 -0.184732
H -5.158379 1.510901 -1.580043
H -6.441026 -0.616492 -1.453781


%chk=000213711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213711

0 1
O -1.596782 -0.302830 2.231809
N -0.606114 -0.065881 0.137317
C 0.773388 0.075388 0.684922
C 1.592340 -1.210318 0.444577
C 1.369473 1.423394 0.271827
C 2.835243 -0.502388 -1.769249
C 1.810222 0.605955 -2.112753
C 2.479004 -1.474324 -0.642237
C 1.785623 1.702302 -1.060427
C 1.390353 -2.223778 1.425273
C 1.433496 2.450099 1.245306
C 3.125640 -2.741526 -0.692049
C 2.246501 3.002141 -1.381419
C 2.039000 -3.470809 1.359381
C 1.900942 3.742367 0.918683
C 2.922105 -3.732265 0.287046
C 2.305650 4.022170 -0.405009
C -1.708464 -0.213958 0.964954
C -3.050559 -0.280828 0.280568
C -4.113292 -0.907907 0.979305
C -3.297042 0.280034 -1.000272
C -5.394621 -0.998690 0.397574
C -4.582220 0.194043 -1.579694
C -5.631819 -0.451877 -0.886161
H 0.596831 0.122061 1.774214
H 3.798101 -0.008069 -1.524289
H 3.022600 -1.101220 -2.681607
H 0.813110 0.142320 -2.258559
H 2.085795 1.048301 -3.088017
H -0.724266 -0.126725 -0.874228
H 0.697882 -2.016979 2.250424
H 1.103932 2.234958 2.268821
H 3.806423 -2.946700 -1.528313
H 2.567475 3.214312 -2.408879
H 1.860443 -4.225603 2.132840
H 1.943778 4.521142 1.687816
H 3.439935 -4.695036 0.212906
H 2.664816 5.021601 -0.674710
H -3.909305 -1.306683 1.978317
H -2.508397 0.824973 -1.533557
H -6.207913 -1.490544 0.942328
H -4.767600 0.639416 -2.563372
H -6.628104 -0.518336 -1.337406


