%chk=000197289.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197289

0 1
O 4.224597 -0.166864 1.630023
O 2.322257 2.208788 -1.258824
N 2.007306 -1.319838 0.110172
C 2.648911 -0.022585 -0.269797
C 0.763776 -1.247610 0.922151
C 3.216000 0.639558 1.016239
C 1.667056 0.974050 -0.950402
C 3.801308 -0.350024 -1.233115
C -0.515139 -1.019578 0.144503
C -1.398391 0.063580 0.485288
C -2.590054 0.241746 -0.266706
C -0.846646 -1.874548 -0.883721
C -1.127172 0.973521 1.558009
C -2.892970 -0.656773 -1.338181
C -2.041325 -1.690061 -1.634279
C -3.475349 1.319828 0.059328
C -1.990720 1.997515 1.851982
C -3.182895 2.175149 1.090601
H 1.853165 -1.900128 -0.721609
H 0.892373 -0.483391 1.726329
H 0.685911 -2.226405 1.460065
H 2.422823 0.836911 1.759139
H 3.740345 1.585521 0.779297
H 1.221941 0.549911 -1.865827
H 0.853449 1.298939 -0.272978
H 4.548171 -0.987504 -0.732869
H 4.332214 0.560325 -1.536477
H 3.468001 -0.868215 -2.135872
H -0.204884 -2.717049 -1.139118
H -0.214952 0.833017 2.142700
H -3.809486 -0.504777 -1.906351
H -2.263889 -2.385872 -2.442316
H 3.905510 -1.096842 1.704688
H 3.041064 2.060035 -1.908903
H -4.383436 1.443876 -0.529444
H -1.781340 2.689495 2.666864
H -3.849730 2.998101 1.344211


%chk=000197289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197289

0 1
O 4.042155 -0.474119 1.755670
O 2.487793 2.333715 -1.268824
N 2.046723 -1.235989 0.119643
C 2.743680 0.027625 -0.285665
C 0.805638 -1.199021 0.937889
C 3.395631 0.604215 1.013346
C 1.794963 1.078864 -0.930513
C 3.850786 -0.389530 -1.282432
C -0.513704 -0.968709 0.181467
C -1.445773 0.085107 0.521569
C -2.672687 0.215274 -0.249855
C -0.832929 -1.845755 -0.865849
C -1.224837 1.024369 1.588695
C -2.941133 -0.699693 -1.319299
C -2.036886 -1.718183 -1.620650
C -3.603586 1.259186 0.070905
C -2.150323 2.029792 1.876934
C -3.352719 2.152199 1.112336
H 1.997457 -1.917306 -0.646706
H 0.955321 -0.450418 1.731068
H 0.736368 -2.176340 1.455982
H 2.619715 1.105651 1.633659
H 4.160737 1.355477 0.760658
H 1.297922 0.638885 -1.821830
H 1.014634 1.390637 -0.217709
H 4.553285 -1.087025 -0.794156
H 4.439851 0.485866 -1.610432
H 3.423371 -0.879095 -2.179653
H -0.144797 -2.665720 -1.111236
H -0.320381 0.955567 2.201208
H -3.869942 -0.589440 -1.891435
H -2.246963 -2.424994 -2.430717
H 3.494529 -1.282859 1.507338
H 3.090759 2.173169 -2.037238
H -4.522132 1.342407 -0.522502
H -1.955255 2.731901 2.694814
H -4.069472 2.946092 1.348323


