%chk=000257717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257717

0 1
O 2.453772 -2.272560 -0.292970
N -1.502012 0.047842 -0.199536
C 1.330293 0.716350 0.933638
C 3.302241 0.048486 0.013256
C 0.903457 -0.497205 0.049216
C 2.719642 0.229106 1.443574
C 2.244421 -0.893124 -0.643921
C 1.736792 1.913085 0.027898
C 3.083994 1.459761 -0.598260
C -0.226836 -0.214070 -0.948091
C -2.071925 -1.229021 0.347004
C -2.496054 0.734591 -1.091475
C -3.334717 -0.926684 1.169853
C -3.767904 1.067407 -0.292617
C -4.382859 -0.196865 0.320468
H 0.586183 0.971239 1.697230
H 4.331005 -0.318112 -0.042000
H 0.597033 -1.340990 0.718325
H 3.253601 0.969459 2.048533
H 2.678714 -0.705242 2.017878
H 2.230033 -0.831166 -1.746026
H 1.854054 2.831576 0.620760
H 0.971819 2.123302 -0.735415
H 3.046097 1.439485 -1.695947
H 3.904910 2.138126 -0.321665
H -0.309609 -1.058201 -1.667103
H 0.023527 0.691750 -1.546141
H 3.385730 -2.525251 -0.407412
H -1.298861 -1.689883 1.002699
H -2.304672 -1.970286 -0.447303
H -2.759652 0.132169 -1.986967
H -2.032387 1.677057 -1.454461
H -3.061667 -0.300252 2.042714
H -3.749088 -1.866942 1.575146
H -4.497156 1.575253 -0.948422
H -3.514700 1.784837 0.513889
H -4.758586 -0.864224 -0.477653
H -5.259438 0.067196 0.939804


%chk=000257717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257717

0 1
O 2.646422 -2.280893 -0.504462
N -1.487799 0.017934 -0.283705
C 1.299540 0.546509 1.020453
C 3.296154 0.114015 0.006179
C 0.950358 -0.592692 0.007355
C 2.730994 0.114070 1.455759
C 2.313261 -0.855906 -0.712680
C 1.600166 1.871870 0.261883
C 2.953900 1.557939 -0.477867
C -0.215257 -0.328753 -0.964705
C -2.058378 -1.114057 0.490383
C -2.486712 0.570350 -1.234132
C -3.305246 -0.673860 1.284840
C -3.744919 1.070150 -0.495011
C -4.370888 -0.065874 0.345976
H 0.551144 0.657397 1.820159
H 4.357940 -0.161559 -0.118974
H 0.745876 -1.514408 0.585319
H 3.227605 0.846072 2.117930
H 2.763453 -0.886321 1.922385
H 2.270966 -0.640811 -1.803003
H 1.725603 2.699295 0.984001
H 0.784436 2.159878 -0.422250
H 2.858797 1.610858 -1.579350
H 3.747141 2.267898 -0.182574
H -0.330682 -1.226326 -1.628762
H 0.042974 0.520008 -1.628374
H 3.513437 -2.473024 -0.944902
H -1.290512 -1.495350 1.186200
H -2.336075 -1.962390 -0.192525
H -2.792607 -0.200320 -1.992961
H -2.014388 1.404858 -1.786872
H -2.999341 0.081825 2.034154
H -3.717046 -1.543735 1.832344
H -4.474202 1.461422 -1.230671
H -3.455523 1.906358 0.170775
H -4.757936 -0.855261 -0.331802
H -5.233459 0.310834 0.927986


