%chk=000198914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198914

0 1
O -3.858398 -1.277808 -2.307896
N -0.982940 2.453906 -0.190108
N 0.745686 -0.707686 0.971708
C -0.891035 1.275276 0.742329
C 0.416767 0.580681 0.500785
C 1.503186 1.132287 -0.165818
C 1.446319 2.476760 -0.790356
C 0.263116 3.283929 -0.210937
C 2.567550 0.163779 -0.138877
C 2.064196 -0.985408 0.568247
C -2.065551 0.347778 0.466324
C 3.884878 0.139365 -0.630982
C 2.853211 -2.134121 0.778395
C -2.390788 -0.005450 -0.846653
C -2.800094 -0.170984 1.543124
C 4.655484 -0.991796 -0.420856
C 4.142693 -2.116730 0.276606
C -3.466577 -0.879202 -1.052767
C -3.869523 -1.044062 1.306258
C -4.218134 -1.412199 0.008479
H -0.913589 1.602167 1.821395
H 2.392663 3.030805 -0.638474
H 1.320390 2.361734 -1.889392
H 0.539295 3.672344 0.793299
H 0.058878 4.162583 -0.860880
H -1.782865 3.033668 0.086893
H 0.110917 -1.347088 1.408918
H 4.277300 1.000690 -1.165856
H 2.458630 -2.992088 1.311219
H -1.815429 0.407700 -1.675087
H -2.552134 0.105750 2.563926
H 5.676584 -1.032882 -0.793366
H 4.789133 -2.982604 0.413782
H -4.437877 -1.440446 2.148307
H -5.043997 -2.087494 -0.198905
H -3.296844 -0.874753 -3.016684


%chk=000198914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198914

0 1
O -3.943473 -1.263755 -2.350727
N -0.943825 2.460443 -0.224133
N 0.751260 -0.660901 0.959971
C -0.899508 1.303586 0.707807
C 0.434458 0.621000 0.487199
C 1.528677 1.161988 -0.182593
C 1.478884 2.537304 -0.801497
C 0.274790 3.310628 -0.207968
C 2.583253 0.167067 -0.141107
C 2.064902 -0.970462 0.582827
C -2.081282 0.356850 0.472768
C 3.913537 0.117017 -0.635328
C 2.832081 -2.132631 0.809841
C -2.457940 0.018210 -0.848583
C -2.773446 -0.213049 1.568187
C 4.684041 -1.041236 -0.409355
C 4.149143 -2.154457 0.303815
C -3.518883 -0.888271 -1.063909
C -3.834642 -1.123185 1.337688
C -4.213661 -1.467492 0.025478
H -0.948291 1.630081 1.780587
H 2.411015 3.102987 -0.604702
H 1.366201 2.466606 -1.901769
H 0.540289 3.643099 0.825967
H 0.067258 4.214373 -0.808698
H -1.808608 3.001391 -0.099665
H 0.089482 -1.292701 1.407755
H 4.336055 0.965139 -1.186317
H 2.427338 -2.990643 1.358420
H -1.913382 0.482993 -1.680526
H -2.498672 0.066274 2.592633
H 5.711841 -1.092426 -0.786181
H 4.772461 -3.041682 0.462362
H -4.374269 -1.560440 2.184925
H -5.032277 -2.164820 -0.175066
H -3.393705 -0.820483 -3.044003


