%chk=000219101.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219101

0 1
O 3.238970 -1.590032 1.337028
O -1.749786 1.380224 -1.133930
O -7.763926 0.083098 -0.260940
N 0.048869 -0.454345 -0.016867
C 2.957602 -0.559286 0.360003
C 2.075367 0.521081 1.017615
C 2.259064 -1.204245 -0.854138
C 0.643222 0.030755 1.268957
C 0.815710 -1.626582 -0.549043
C -1.421310 -0.733659 0.060477
C 4.323465 -0.003488 -0.019064
C -2.145704 0.650608 0.043855
C -1.866954 -1.584349 1.251512
C -3.644529 0.502257 -0.060016
C 4.421011 1.033775 -0.959117
C 5.487626 -0.520519 0.564334
C 5.672515 1.546268 -1.309472
C 6.738317 -0.005186 0.211281
C -4.431822 0.478583 1.103707
C -4.252354 0.403873 -1.319942
C 6.833280 1.028099 -0.725274
C -5.813893 0.333261 1.020269
C -5.636928 0.262099 -1.432262
C -6.396168 0.226458 -0.254519
H 2.051474 1.422052 0.372719
H 2.537978 0.838208 1.972744
H 2.845385 -2.083247 -1.186836
H 2.263195 -0.491541 -1.703064
H 0.641209 -0.744359 2.066089
H 0.024962 0.876220 1.645089
H 0.327913 -1.965485 -1.490217
H 0.808067 -2.495727 0.144041
H -1.705159 -1.264290 -0.889595
H -1.855503 1.269412 0.923783
H -1.298500 -2.518423 1.314629
H -1.755922 -1.063738 2.208026
H -2.926566 -1.860840 1.158437
H 2.413360 -2.004837 1.646621
H 3.523717 1.444367 -1.419732
H 5.410027 -1.328899 1.296910
H -0.773680 1.291068 -1.269327
H 5.743591 2.350972 -2.038898
H 7.638984 -0.411277 0.668342
H -3.962479 0.575675 2.082721
H -3.628179 0.455556 -2.216925
H 7.807005 1.428842 -0.999583
H -6.444901 0.309117 1.905112
H -6.106391 0.189753 -2.407093
H -8.128032 0.032473 -1.177944


%chk=000219101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219101

0 1
O 3.309655 -1.656053 1.314241
O -1.495670 1.456253 -0.645885
O -7.787678 0.123791 -0.876662
N 0.012979 -0.510421 0.217855
C 2.980908 -0.576818 0.348963
C 2.123133 0.508980 1.061895
C 2.170828 -1.176468 -0.837943
C 0.714896 -0.004314 1.427655
C 0.759299 -1.628464 -0.411744
C -1.459716 -0.762263 0.380646
C 4.322820 -0.006322 -0.124514
C -2.178568 0.640241 0.356122
C -1.855094 -1.625528 1.596881
C -3.658285 0.528467 0.019170
C 4.350875 1.066091 -1.054044
C 5.549925 -0.531157 0.349324
C 5.578390 1.602362 -1.500012
C 6.779116 0.005718 -0.097358
C -4.636444 0.412195 1.039019
C -4.083716 0.524114 -1.330910
C 6.800296 1.073563 -1.022652
C -6.004439 0.272243 0.728212
C -5.449148 0.390527 -1.659584
C -6.408531 0.258723 -0.625858
H 2.019424 1.386897 0.398882
H 2.655438 0.834919 1.974059
H 2.734211 -2.033125 -1.250810
H 2.074418 -0.417786 -1.635707
H 0.786507 -0.795038 2.216284
H 0.127542 0.822635 1.864022
H 0.197573 -1.972805 -1.298614
H 0.834969 -2.507275 0.280479
H -1.769600 -1.285172 -0.546223
H -2.074419 1.105996 1.363414
H -1.325543 -2.596119 1.587543
H -1.629584 -1.118290 2.552913
H -2.938434 -1.834610 1.574971
H 2.465752 -2.041234 1.660491
H 3.415045 1.492681 -1.436565
H 5.524201 -1.356152 1.065016
H -0.580175 1.020927 -0.694788
H 5.581088 2.431420 -2.216702
H 7.720467 -0.411159 0.278968
H -4.330615 0.444079 2.092372
H -3.333595 0.666902 -2.114882
H 7.753784 1.489478 -1.367379
H -6.765017 0.187248 1.509853
H -5.766250 0.401318 -2.711220
H -7.969817 0.148604 -1.848690


