%chk=000222008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222008

0 1
O -1.672596 -1.659188 1.008701
O 4.256976 0.479287 0.234214
N -2.029712 -0.239479 -0.740291
C -3.497192 -0.493946 -0.786021
C -4.276821 0.783903 -0.410788
C -4.107421 1.144855 1.070615
C -3.877080 -0.972891 -2.192868
C -4.931202 2.372547 1.450774
C -1.209595 -0.872478 0.196529
C 0.236311 -0.505533 0.128217
C 0.898740 -0.199792 1.334756
C 0.943302 -0.509855 -1.077737
C 2.940113 0.135224 0.099152
C 2.245106 0.130828 1.330670
C 2.302807 -0.186615 -1.108196
C 5.102857 0.499213 -0.963981
C 6.457713 0.900877 -0.417509
H -3.726813 -1.307799 -0.040320
H -5.350393 0.629687 -0.635304
H -3.962752 1.633030 -1.045513
H -4.399797 0.283284 1.704569
H -3.037231 1.325089 1.294814
H -4.934839 -1.256221 -2.237407
H -3.709303 -0.206976 -2.956437
H -3.293900 -1.857375 -2.479206
H -1.668890 0.477434 -1.357772
H -4.638750 3.253360 0.868665
H -6.001977 2.209114 1.285052
H -4.799360 2.621566 2.510174
H 0.340383 -0.232744 2.274568
H 0.438797 -0.777697 -2.007804
H 2.779668 0.375922 2.245958
H 2.838169 -0.197052 -2.050267
H 5.100635 -0.511372 -1.406967
H 4.687042 1.238788 -1.669074
H 7.209385 0.958501 -1.212900
H 6.413319 1.879157 0.082228
H 6.812900 0.183147 0.336109


%chk=000222008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222008

0 1
O -1.707690 -1.615524 1.268117
O 4.377049 0.244463 0.290491
N -2.083141 -0.331216 -0.637674
C -3.538173 -0.590392 -0.695094
C -4.346813 0.712820 -0.458786
C -4.116065 1.347841 0.930034
C -3.910931 -1.264149 -2.035147
C -4.912560 2.655482 1.125922
C -1.253590 -0.880856 0.330377
C 0.212890 -0.553323 0.228585
C 1.012287 -0.766687 1.385211
C 0.843705 -0.077023 -0.947502
C 3.002643 0.000630 0.195050
C 2.386757 -0.490277 1.376317
C 2.227777 0.201447 -0.976177
C 5.079061 0.751135 -0.907631
C 6.543852 0.927984 -0.518162
H -3.733262 -1.291626 0.137220
H -5.423546 0.477814 -0.583140
H -4.096877 1.448546 -1.254620
H -4.395285 0.616292 1.713673
H -3.034886 1.543974 1.066992
H -4.986637 -1.517356 -2.053763
H -3.709003 -0.592637 -2.892679
H -3.333189 -2.193832 -2.178253
H -1.694975 0.325486 -1.316922
H -4.623776 3.415031 0.374249
H -6.000589 2.480702 1.023390
H -4.734036 3.087989 2.127384
H 0.521096 -1.160637 2.280590
H 0.276421 0.049816 -1.878007
H 3.007506 -0.646352 2.263662
H 2.685587 0.556639 -1.903815
H 4.967119 0.020844 -1.735259
H 4.625109 1.714284 -1.219397
H 7.122393 1.307498 -1.379976
H 6.641731 1.646456 0.313269
H 6.980642 -0.033487 -0.199128


