%chk=000273518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273518

0 1
O -4.011701 0.102928 0.618640
O -2.973689 2.713100 1.477630
O -2.856285 2.916092 -0.751769
N 0.311143 -0.335900 -1.021822
C -0.149732 -1.593798 -0.549870
C -1.459899 -1.385901 -0.008145
C 1.635210 -0.072100 -1.616902
C -1.757187 0.022764 -0.141631
C -0.649366 0.627863 -0.754167
C 2.587397 0.539247 -0.614510
C 0.452216 -2.864916 -0.566935
C -2.175173 -2.477866 0.516306
C -0.277592 -3.917730 -0.038907
C -1.577886 -3.726884 0.495808
C -2.992396 0.643911 0.271970
C 2.885686 -0.136201 0.577627
C 3.186238 1.776379 -0.888011
C 3.781596 0.425928 1.490450
C 4.085382 2.331591 0.027566
C 4.383866 1.658557 1.216268
C -2.942570 2.199364 0.215092
H 1.506225 0.588606 -2.508455
H 2.060596 -1.029718 -2.007177
H -0.521974 1.670409 -1.020328
H 1.445731 -3.011945 -0.977891
H -3.177301 -2.317097 0.919668
H 0.147723 -4.920885 -0.030036
H -2.109406 -4.590191 0.895401
H 2.411727 -1.093267 0.798469
H 2.957414 2.310140 -1.808789
H 4.009492 -0.097359 2.418705
H 4.551879 3.292625 -0.186178
H 5.082649 2.094157 1.929080
H -2.969516 3.709899 1.493043


%chk=000273518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273518

0 1
O -3.920005 0.015840 1.050147
O -4.235928 2.684844 1.046906
O -2.339543 2.981243 -0.244937
N 0.302765 -0.266854 -0.928036
C -0.166637 -1.546123 -0.535631
C -1.461810 -1.367294 0.053655
C 1.604854 0.017549 -1.562112
C -1.757147 0.064777 0.010647
C -0.641356 0.685229 -0.595814
C 2.661729 0.563988 -0.602011
C 0.443879 -2.811339 -0.658390
C -2.168994 -2.497809 0.532286
C -0.278479 -3.923943 -0.175762
C -1.566581 -3.767899 0.410670
C -2.976345 0.677546 0.515491
C 2.859553 -0.017569 0.675898
C 3.481549 1.646534 -1.002638
C 3.865859 0.475379 1.534761
C 4.492842 2.137392 -0.145135
C 4.688022 1.551961 1.126033
C -3.113713 2.215390 0.380761
H 1.443777 0.733671 -2.387909
H 1.954750 -0.924403 -2.022748
H -0.489659 1.741514 -0.804555
H 1.436301 -2.941184 -1.102996
H -3.156465 -2.368788 0.982025
H 0.161576 -4.924227 -0.252770
H -2.097370 -4.654246 0.774807
H 2.221658 -0.846285 1.004545
H 3.328850 2.110949 -1.985137
H 4.008070 0.022082 2.522016
H 5.119277 2.977303 -0.465192
H 5.467825 1.933824 1.794064
H -4.292604 3.672751 0.927260


