%chk=000210531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210531

0 1
O -0.532528 0.804021 -0.518515
O 2.820429 -2.579265 -0.523373
O -4.515605 2.247714 0.022719
O -2.993584 2.686726 1.644762
N 3.270112 -0.488254 0.275236
N 1.620029 1.259640 0.259119
N 5.087986 1.368303 1.395152
C 1.003791 -0.984138 -0.568615
C 0.711930 0.349570 -0.272578
C 2.321311 -1.497317 -0.327845
C -0.004038 -1.904438 -1.125789
C 2.860142 0.836835 0.531044
C -0.839985 2.225589 -0.226585
C -2.290329 2.315146 -0.672575
C 4.591171 -0.868560 0.589001
C 0.350828 -2.833995 -2.119293
C -1.332329 -1.858198 -0.666507
C 3.864453 1.743077 1.113333
C -0.611972 -3.696911 -2.646347
C -2.288664 -2.724799 -1.199526
C 5.455701 0.045989 1.130641
C -3.239066 2.439141 0.488639
C -1.933273 -3.644705 -2.190853
C -5.618861 2.307427 0.985980
C -5.665754 1.029337 1.794672
H -0.155441 2.853823 -0.819736
H -0.689092 2.396929 0.857633
H -2.554293 1.406758 -1.278429
H -2.448758 3.162855 -1.374643
H 4.855169 -1.915674 0.370413
H 1.381936 -2.892751 -2.468421
H -1.615706 -1.143131 0.105176
H 3.548209 2.779258 1.314434
H -0.329623 -4.415196 -3.414505
H -3.314683 -2.684799 -0.838443
H 6.490323 -0.206204 1.389950
H -2.679895 -4.318797 -2.603653
H -5.485704 3.205986 1.614066
H -6.479116 2.425620 0.301534
H -6.568148 0.980270 2.416025
H -5.655818 0.140949 1.149899
H -4.798654 0.951068 2.468602


%chk=000210531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210531

0 1
O -0.468789 1.134126 -0.421570
O 2.625171 -2.587071 -0.503220
O -4.359708 2.272261 -0.021107
O -2.800231 1.849286 1.663731
N 3.286067 -0.435058 0.168748
N 1.757477 1.422253 0.225033
N 5.329943 1.298318 1.073216
C 0.922303 -0.823226 -0.435945
C 0.770250 0.573136 -0.192297
C 2.248849 -1.395131 -0.298278
C -0.208900 -1.707408 -0.825526
C 2.988829 0.920765 0.414195
C -0.642408 2.583844 -0.127950
C -2.095552 2.899343 -0.466440
C 4.578602 -0.914101 0.370404
C -0.010316 -2.778252 -1.744222
C -1.509189 -1.528764 -0.269124
C 4.082972 1.743469 0.872784
C -1.078332 -3.624372 -2.108502
C -2.569635 -2.386556 -0.625815
C 5.566361 -0.052298 0.815589
C -3.075825 2.275338 0.518874
C -2.363722 -3.435982 -1.551326
C -5.451283 1.712689 0.839856
C -5.524069 0.189700 0.703761
H 0.058450 3.165831 -0.750463
H -0.417008 2.760862 0.937123
H -2.346325 2.567149 -1.487999
H -2.241863 3.997239 -0.442668
H 4.711764 -1.976178 0.153130
H 0.984337 -2.951336 -2.161413
H -1.684609 -0.722980 0.448765
H 3.866462 2.798173 1.066748
H -0.903040 -4.436902 -2.822434
H -3.558503 -2.238190 -0.177065
H 6.584975 -0.408375 0.982537
H -3.190449 -4.099682 -1.829066
H -5.263082 2.014589 1.885364
H -6.357462 2.207838 0.456454
H -6.399666 -0.190919 1.261679
H -5.631400 -0.105858 -0.354170
H -4.618846 -0.282673 1.120408


