%chk=000180033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180033

0 1
O 6.932400 -0.401342 0.001471
N -0.700649 0.912627 -0.007115
N -2.569790 -2.186114 -0.010857
N -1.564758 -1.337000 -0.009307
N 0.581752 0.439123 -0.005816
C -4.198398 -0.386205 -0.012023
C -3.136064 0.552486 -0.010440
C -3.854570 -1.793300 -0.012179
C -1.781720 0.007862 -0.008987
C -5.544579 0.085466 -0.013418
C -3.438539 1.945148 -0.010381
C -5.810195 1.434352 -0.013287
C -4.744580 2.375968 -0.011772
C -4.898821 -2.857899 -0.013803
C 2.949528 0.788294 -0.002728
C 4.014799 1.714628 -0.001035
C 3.230501 -0.588845 -0.002979
C 1.568923 1.298207 -0.004199
C 5.587036 -0.110345 0.000045
C 5.332376 1.278318 0.000362
C 4.548878 -1.049613 -0.001611
C 7.322987 -1.796073 0.001651
H -6.357354 -0.641207 -0.014582
H -2.624794 2.670497 -0.009241
H -6.836865 1.801066 -0.014335
H -4.981183 3.439724 -0.011742
H -4.446775 -3.865918 -0.013766
H -5.538169 -2.795643 0.877738
H -5.536226 -2.794828 -0.906679
H -0.915701 1.915763 -0.007063
H 3.806412 2.784464 -0.000806
H 2.405031 -1.310354 -0.004263
H 1.471797 2.393166 -0.003793
H 6.167071 1.974949 0.001687
H 4.745164 -2.116680 -0.001870
H 6.964433 -2.291011 -0.905486
H 6.961729 -2.291613 0.907384
H 8.418212 -1.722017 0.003325


%chk=000180033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180033

0 1
O 7.061503 -0.318097 0.001797
N -0.712322 0.785327 -0.007306
N -2.696729 -2.266949 -0.010927
N -1.608052 -1.398726 -0.009243
N 0.574045 0.288683 -0.005904
C -4.264908 -0.379008 -0.012105
C -3.156923 0.543082 -0.010397
C -3.968537 -1.795922 -0.012303
C -1.828088 -0.054873 -0.008994
C -5.599611 0.133971 -0.013536
C -3.424597 1.946834 -0.010192
C -5.836289 1.512646 -0.013298
C -4.740981 2.424816 -0.011619
C -5.051022 -2.851503 -0.014072
C 2.955072 0.742883 -0.002782
C 3.994839 1.717202 -0.001158
C 3.315937 -0.634165 -0.002851
C 1.555792 1.170486 -0.004355
C 5.687529 -0.040866 0.000239
C 5.345823 1.335202 0.000336
C 4.665567 -1.029131 -0.001365
C 7.470905 -1.725847 0.001876
H -6.440409 -0.566458 -0.014828
H -2.609512 2.680325 -0.008922
H -6.862286 1.895889 -0.014405
H -4.930915 3.503479 -0.011444
H -4.569264 -3.841373 -0.013872
H -5.701715 -2.775476 0.877988
H -5.699489 -2.774754 -0.907687
H -0.864975 1.803223 -0.007123
H 3.738509 2.784157 -0.001079
H 2.515565 -1.381298 -0.004100
H 1.367544 2.266438 -0.004165
H 6.151133 2.075701 0.001585
H 4.911901 -2.095184 -0.001468
H 7.108061 -2.249842 -0.903363
H 7.105794 -2.250399 0.905882
H 8.570402 -1.704370 0.003261


