%chk=000287223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287223

0 1
O 5.438176 1.255497 1.434746
O 6.256196 -1.336577 -1.603365
N 6.866831 -1.002342 1.353512
N -0.534292 0.791183 -0.895391
N -1.399904 0.337627 -0.096282
N -2.637614 1.729488 -2.491288
C 5.073141 0.440717 0.298616
C 5.522550 -0.989128 0.720087
C 3.592082 0.516102 0.022527
C 5.526898 -1.917890 -0.512919
C 3.128369 0.412362 -1.297940
C 2.679169 0.674115 1.073858
C -3.632067 -0.154988 0.607285
C 1.763198 0.475964 -1.571030
C 1.310281 0.739001 0.814309
C 0.850465 0.642338 -0.511130
C -5.040658 -0.076149 0.465781
C -2.773073 0.470212 -0.383338
C -3.365980 1.133513 -1.488332
C -5.602654 0.617875 -0.658548
C -3.104583 -0.857380 1.734919
C -4.807737 1.199432 -1.598447
C -5.888357 -0.685667 1.436690
C -3.942358 -1.438250 2.658457
C -5.352847 -1.353738 2.512892
H 5.672610 0.799845 -0.572368
H 4.790872 -1.395300 1.469547
H 4.508575 -2.038700 -0.930038
H 5.952974 -2.905952 -0.262218
H 3.839960 0.274484 -2.115274
H 3.046679 0.743450 2.099706
H 6.820193 -0.532178 2.259260
H 7.529890 -0.466850 0.797964
H 1.399662 0.394075 -2.594818
H 0.597490 0.859137 1.630690
H 5.061606 2.153312 1.344954
H -6.690846 0.668019 -0.743682
H -2.020667 -0.928364 1.851751
H -5.242709 1.720626 -2.448990
H -6.967814 -0.612867 1.309948
H 7.218572 -1.404039 -1.436095
H -3.533392 -1.972963 3.515620
H -5.992250 -1.821548 3.257751
H -1.623101 1.744060 -2.481392
H -3.092633 2.224333 -3.236186


%chk=000287223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287223

0 1
O 5.315321 0.896410 1.869092
O 6.712394 -0.727778 -1.791084
N 7.069338 -0.901915 0.878803
N -0.561802 0.621988 -0.910659
N -1.447108 0.278467 0.022233
N -2.447849 1.042815 -2.617270
C 5.058590 0.444637 0.477682
C 5.660920 -0.982353 0.408501
C 3.576837 0.487771 0.142159
C 5.711655 -1.497965 -1.055065
C 3.141226 0.935371 -1.130194
C 2.604633 0.076117 1.095382
C -3.732044 -0.060128 0.739550
C 1.769456 0.963367 -1.448684
C 1.234024 0.105543 0.788514
C 0.800856 0.552579 -0.493777
C -5.150515 -0.056105 0.475698
C -2.797425 0.314285 -0.318474
C -3.314718 0.686557 -1.616901
C -5.617482 0.319707 -0.834156
C -3.286916 -0.434610 2.045137
C -4.738395 0.677529 -1.843491
C -6.067969 -0.421853 1.509615
C -4.204726 -0.789309 3.042765
C -5.607137 -0.785138 2.779725
H 5.623264 1.083951 -0.232799
H 5.022161 -1.654740 1.023125
H 4.743990 -1.370854 -1.567553
H 5.967922 -2.580712 -1.050077
H 3.882326 1.255479 -1.872678
H 2.942033 -0.257920 2.083154
H 7.474337 -1.817742 1.106076
H 7.164887 -0.236987 1.656677
H 1.427828 1.307043 -2.431048
H 0.479857 -0.209189 1.515197
H 4.928137 1.800048 1.985413
H -6.697323 0.319376 -1.025965
H -2.212207 -0.435311 2.242958
H -5.111632 0.961652 -2.834944
H -7.142343 -0.412785 1.289674
H 7.412255 -0.552692 -1.085690
H -3.842326 -1.073138 4.037266
H -6.314073 -1.064218 3.568256
H -1.433025 1.016319 -2.341005
H -2.796332 1.302327 -3.539339


