%chk=000222142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222142

0 1
O -5.208320 1.115056 0.751694
N -1.609847 0.843960 -0.031066
N 4.758969 0.269195 0.509121
C -3.974398 0.405427 0.549451
C -4.190019 -0.882521 -0.249919
C -2.997106 1.380755 -0.151581
C -5.086863 -1.870762 0.505035
C -0.627280 1.695379 -0.776168
C 0.781475 1.277534 -0.430347
C -5.403425 -3.104831 -0.334965
C 1.159419 -0.045325 -0.485882
C 2.497595 -0.427228 -0.171944
C 1.730569 2.283245 -0.059752
C 3.438006 0.577111 0.193775
C 3.024515 1.949191 0.243187
C 2.947341 -1.785563 -0.208203
C 4.250410 -2.076209 0.104617
C 5.135350 -1.004502 0.462625
H -3.656874 0.197553 1.597462
H -4.621382 -0.656380 -1.242656
H -3.201126 -1.342590 -0.462184
H -3.130208 2.393337 0.290238
H -3.254433 1.474057 -1.227938
H -6.026515 -1.363608 0.806695
H -4.596888 -2.176179 1.450737
H -1.341187 0.806476 0.960741
H -0.772297 2.784616 -0.599307
H -0.800165 1.532107 -1.867590
H -5.941134 -2.844107 -1.253359
H -6.030578 -3.810668 0.221802
H -4.492094 -3.638132 -0.629060
H 0.437598 -0.816085 -0.763889
H 1.407787 3.323533 -0.022252
H -5.731957 1.159805 -0.069741
H 3.764224 2.700263 0.526653
H 2.240757 -2.568014 -0.485239
H 4.630559 -3.094418 0.089006
H 6.180520 -1.224879 0.714804


%chk=000222142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222142

0 1
O -5.473454 1.043505 0.478945
N -1.709650 1.131040 0.204912
N 4.732091 0.036191 0.050873
C -4.104840 0.479034 0.478271
C -4.038169 -0.854085 -0.289590
C -3.107804 1.537323 -0.051434
C -4.842092 -1.990453 0.379238
C -0.684724 1.997847 -0.410111
C 0.725442 1.435828 -0.259083
C -4.858704 -3.283874 -0.462918
C 0.955489 0.064953 -0.104097
C 2.286330 -0.450409 0.005853
C 1.846205 2.333748 -0.301368
C 3.411302 0.462959 -0.046848
C 3.155699 1.862847 -0.203201
C 2.575500 -1.845939 0.163564
C 3.903762 -2.265563 0.258756
C 4.948233 -1.285498 0.197519
H -3.911609 0.302160 1.554588
H -4.412890 -0.688689 -1.324665
H -2.972542 -1.140854 -0.386161
H -3.379356 2.518809 0.405788
H -3.235537 1.641753 -1.149618
H -5.877825 -1.643878 0.561577
H -4.405031 -2.202955 1.376324
H -1.531955 1.001093 1.211466
H -0.697780 3.044710 -0.015743
H -0.928233 2.079692 -1.490404
H -5.330395 -3.109700 -1.448761
H -5.424620 -4.087479 0.043079
H -3.832467 -3.655923 -0.645358
H 0.096575 -0.615292 -0.074094
H 1.661175 3.409729 -0.411561
H -5.773708 1.124501 -0.463133
H 4.017580 2.536426 -0.234928
H 1.750496 -2.566810 0.206660
H 4.161122 -3.322613 0.378881
H 5.997382 -1.597533 0.271385


