%chk=000273457.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273457

0 1
O 2.411415 2.894313 0.393604
O 1.660052 1.623554 -1.327709
O -1.343297 0.887860 2.175121
O -3.921708 2.077918 -1.497822
O -1.945740 2.130142 -0.619748
N 0.077323 0.175561 0.523545
N -2.989112 1.568387 -0.900570
C 1.221775 0.963246 1.021245
C 2.341338 0.062368 1.579344
C 2.851570 -0.954220 0.595352
C 1.754292 1.813603 -0.141646
C -1.175622 0.301002 1.123666
C 3.905310 -0.630995 -0.273021
C 2.280354 -2.234845 0.546837
C -2.272369 -0.462565 0.417865
C -3.139951 0.141819 -0.505084
C 4.380005 -1.581071 -1.180883
C 2.760509 -3.181836 -0.361892
C -2.455834 -1.809394 0.748767
C 3.810070 -2.857612 -1.226981
C -4.188011 -0.588997 -1.086027
C -3.495344 -2.542409 0.164987
C -4.359893 -1.933409 -0.749947
C 2.955323 3.862120 -0.545635
H 0.867164 1.655676 1.847091
H 3.172062 0.710819 1.936736
H 1.959548 -0.445147 2.492870
H 0.202938 -0.275011 -0.385488
H 4.351124 0.361885 -0.246804
H 1.464103 -2.491918 1.218475
H 5.195088 -1.324614 -1.856355
H 2.316547 -4.175282 -0.395087
H -1.790893 -2.285726 1.472893
H 4.182226 -3.595504 -1.934704
H -4.864734 -0.096566 -1.795068
H -3.632540 -3.592870 0.429738
H -5.172991 -2.505117 -1.200717
H 3.574219 3.355590 -1.292587
H 3.542951 4.519883 0.103171
H 2.125930 4.394262 -1.023630


%chk=000273457-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273457

0 1
O 2.961985 2.847818 -0.042405
O 1.618139 1.937992 -1.711362
O -1.011311 0.273183 2.118690
O -5.059231 1.403305 1.024068
O -2.922424 2.142171 0.722965
N 0.025239 0.697583 0.076760
N -3.832992 1.230895 0.661555
C 1.167849 1.406723 0.660524
C 2.100405 0.493923 1.536229
C 2.602250 -0.749093 0.821745
C 1.913251 2.068817 -0.499512
C -1.002690 0.218199 0.849657
C 3.756742 -0.708799 -0.002582
C 1.912432 -1.982004 0.960856
C -2.098457 -0.500753 0.082161
C -3.455216 -0.092015 0.097441
C 4.205820 -1.865653 -0.678271
C 2.360620 -3.142683 0.289742
C -1.791791 -1.729796 -0.551129
C 3.507355 -3.087182 -0.536315
C -4.484925 -0.874233 -0.464764
C -2.807342 -2.517315 -1.139707
C -4.156055 -2.095464 -1.088219
C 3.738309 3.564979 -1.087552
H 0.796808 2.206300 1.333191
H 2.940442 1.127955 1.871279
H 1.504214 0.215543 2.421585
H -0.025937 0.682675 -0.948033
H 4.314817 0.230849 -0.103014
H 1.035133 -2.031442 1.618363
H 5.102208 -1.817814 -1.307073
H 1.825307 -4.090334 0.420864
H -0.751506 -2.073353 -0.566155
H 3.859035 -3.986597 -1.054109
H -5.514642 -0.510256 -0.414907
H -2.545769 -3.461608 -1.628466
H -4.944981 -2.707624 -1.536171
H 4.159533 2.845223 -1.808968
H 4.528937 4.090365 -0.535190
H 3.083638 4.274419 -1.619869


