%chk=000229508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229508

0 1
O 0.517125 -2.475198 0.094916
N 1.161232 0.990354 0.277364
N 0.319438 -0.168657 0.391154
C 2.574844 0.511761 -0.044173
C 2.494446 -1.038649 -0.027868
C 1.029151 -1.381879 0.123084
C 3.571195 1.031129 0.996068
C 2.911529 1.043402 -1.439241
C -1.089175 0.032489 0.157205
C -1.961533 -1.052657 0.372134
C -1.595739 1.289937 -0.219889
C -3.334778 -0.864509 0.216899
C -2.974431 1.455302 -0.364097
C -3.847701 0.385650 -0.145461
H 3.083642 -1.492591 0.790475
H 2.895602 -1.490260 -0.955433
H 1.133358 1.475451 1.195366
H 4.592080 0.704103 0.761332
H 3.593351 2.128143 1.024765
H 3.345014 0.677765 2.008655
H 3.907723 0.729054 -1.764274
H 2.182558 0.698807 -2.185747
H 2.878774 2.140526 -1.465848
H -1.568631 -2.035546 0.646621
H -0.923604 2.125044 -0.413665
H -4.011431 -1.702968 0.380914
H -3.369611 2.428175 -0.654259
H -4.919831 0.523224 -0.259895


%chk=000229508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229508

0 1
O 0.606124 -2.555298 -0.029070
N 1.201930 0.962755 0.459432
N 0.344677 -0.202594 0.247790
C 2.584581 0.508616 0.006318
C 2.561873 -1.020171 0.287757
C 1.078280 -1.399643 0.154337
C 3.643486 1.281046 0.810506
C 2.711582 0.792754 -1.505539
C -1.059181 0.006709 0.097081
C -1.955234 -1.095228 0.001421
C -1.562866 1.334801 0.058136
C -3.337768 -0.850455 -0.134089
C -2.949181 1.556074 -0.077359
C -3.847296 0.468342 -0.172379
H 2.908919 -1.261894 1.311593
H 3.159588 -1.613524 -0.421917
H 1.217444 1.145288 1.484330
H 4.656430 0.989093 0.483667
H 3.534777 2.369523 0.653120
H 3.565277 1.072649 1.894863
H 3.688799 0.442916 -1.885006
H 1.915493 0.278941 -2.073523
H 2.621016 1.875565 -1.696678
H -1.563550 -2.113925 0.023883
H -0.859682 2.169547 0.113074
H -4.021362 -1.703748 -0.209176
H -3.326109 2.584659 -0.110620
H -4.923452 0.644605 -0.274852


