%chk=000266829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266829

0 1
O 4.908819 -0.073389 -0.514437
O -4.908819 0.073512 -0.514415
O 1.554720 -2.769760 1.673519
O -1.554715 2.769446 1.674074
O -0.327020 -1.725434 1.512421
O 0.327023 1.725148 1.512768
N 0.852467 -1.868482 1.243909
N -0.852464 1.868251 1.244286
C 0.739501 -0.004364 -0.468891
C -0.739501 0.004478 -0.468889
C 1.498911 -0.891905 0.320293
C -1.498910 0.891861 0.320474
C 1.418651 0.892210 -1.311038
C -1.418652 -0.891927 -1.311215
C 2.892829 -0.889233 0.280738
C -2.892828 0.889196 0.280920
C 3.541272 0.029864 -0.568405
C -3.541273 -0.029730 -0.568406
C 2.811940 0.920933 -1.369589
C -2.811941 -0.920638 -1.369770
C 5.690723 0.868742 -1.290926
C -5.690725 -0.868468 -1.291086
H 0.841857 1.586343 -1.926690
H -0.841858 -1.585936 -1.927007
H 3.483524 -1.579213 0.894841
H -3.483522 1.579054 0.895163
H 3.311573 1.632445 -2.022792
H -3.311575 -1.632019 -2.023115
H 5.489651 1.893051 -0.963550
H 5.503149 0.730149 -2.359073
H 6.715601 0.568793 -1.029648
H -5.503159 -0.729662 -2.359207
H -6.715602 -0.568574 -1.029742
H -5.489647 -1.892841 -0.963916


%chk=000266829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266829

0 1
O 5.005706 -0.066397 -0.597049
O -5.005619 0.066320 -0.596901
O 1.763702 -2.585623 2.074053
O -1.764520 2.585329 2.074581
O -0.256747 -1.575498 1.807888
O 0.256181 1.575579 1.809251
N 0.992588 -1.712526 1.516165
N -0.993007 1.712485 1.516859
C 0.750790 0.000675 -0.334810
C -0.750675 -0.000299 -0.334738
C 1.580221 -0.821281 0.481701
C -1.580228 0.821270 0.482116
C 1.417174 0.798005 -1.295192
C -1.417005 -0.797536 -1.295234
C 2.980714 -0.833339 0.372677
C -2.980715 0.833216 0.373031
C 3.611499 0.001499 -0.576452
C -3.611407 -0.001419 -0.576330
C 2.822834 0.821208 -1.421764
C -2.822657 -0.820865 -1.421811
C 5.717693 0.804878 -1.538925
C -5.717515 -0.804819 -1.538975
H 0.813172 1.431738 -1.953018
H -0.812945 -1.431058 -1.953209
H 3.575894 -1.478751 1.022322
H -3.575976 1.478388 1.022845
H 3.281753 1.473160 -2.170355
H -3.281506 -1.472701 -2.170545
H 5.506752 1.872009 -1.334112
H 5.454719 0.563270 -2.586889
H 6.783360 0.597456 -1.367147
H -5.454579 -0.562935 -2.586884
H -6.783204 -0.597564 -1.367138
H -5.506445 -1.871972 -1.334413


