%chk=000290298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290298

0 1
O 3.356528 -0.511974 0.415231
O -1.121277 -0.440252 0.080652
O -1.699877 -2.199604 -1.263475
O 0.498067 3.242612 0.540355
O 2.550003 4.123905 0.613546
N 0.450497 -2.029790 -0.338516
N 1.500212 0.784108 0.094632
C 1.186571 -1.542013 0.868177
C 1.968020 -2.752077 1.422077
C 1.500977 -3.986625 0.632160
C 0.832303 -3.448654 -0.642085
C 2.142569 -0.411627 0.417015
C 2.261306 1.919668 -0.448913
C 2.081265 2.123940 -1.985604
C -0.884140 -1.653586 -0.552290
C 2.790077 0.995734 -2.735387
C 0.609025 2.216222 -2.388182
C 1.853631 3.197007 0.283145
C -2.439403 0.172492 -0.132964
C -2.850654 0.691118 1.213761
C -4.052302 0.264910 1.796960
C -2.029382 1.607446 1.887598
C -4.434425 0.764483 3.045276
C -2.412587 2.096099 3.138991
C -3.616045 1.678341 3.717140
H 0.478550 -1.135050 1.638932
H 3.062854 -2.596405 1.295748
H 1.797328 -2.872956 2.504366
H 0.792550 -4.590601 1.227360
H 2.349328 -4.650438 0.390065
H -0.048011 -4.047236 -0.957412
H 1.543222 -3.417950 -1.497796
H 3.364581 1.751175 -0.234827
H 0.478096 0.828902 -0.015176
H 2.584302 3.092706 -2.244607
H 2.358268 0.013620 -2.501236
H 2.714713 1.132714 -3.820117
H 3.856535 0.941890 -2.483256
H 0.108672 1.241238 -2.339848
H 0.507251 2.573115 -3.419961
H 0.049651 2.906752 -1.743535
H -2.258356 0.977590 -0.869062
H -3.134438 -0.576252 -0.561554
H 0.233164 4.076633 1.015955
H -4.688693 -0.454360 1.283096
H -1.087491 1.929222 1.434875
H -5.370164 0.437537 3.496469
H -1.772637 2.801897 3.666033
H -3.914835 2.063074 4.690989


%chk=000290298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290298

0 1
O 3.600407 -0.693841 -0.044045
O -0.833492 0.289054 0.357567
O -1.911514 -1.499877 -0.748316
O 1.435949 3.395178 0.509938
O 3.242213 4.238652 -0.677188
N 0.271358 -1.711898 0.092710
N 1.878899 0.869692 -0.209423
C 1.388065 -1.238659 0.966933
C 2.058144 -2.547720 1.472921
C 1.114854 -3.703965 1.037737
C 0.418843 -3.154134 -0.227301
C 2.402900 -0.339885 0.188094
C 2.672706 1.856573 -0.940170
C 2.369948 1.896398 -2.487390
C -0.899776 -1.042819 -0.151465
C 2.722189 0.538152 -3.131204
C 0.905839 2.295591 -2.782310
C 2.523021 3.264193 -0.372291
C -2.122833 1.064439 0.297770
C -2.960916 0.840443 1.536956
C -3.905336 -0.218204 1.581638
C -2.809832 1.681466 2.668941
C -4.681234 -0.432261 2.742201
C -3.585439 1.468138 3.830204
C -4.523602 0.409960 3.868182
H 0.956573 -0.634228 1.785357
H 3.049992 -2.632189 0.995605
H 2.209533 -2.522230 2.564380
H 0.357963 -3.908579 1.816519
H 1.667297 -4.637560 0.838564
H -0.572862 -3.587138 -0.430814
H 1.053941 -3.283031 -1.125005
H 3.734715 1.565778 -0.823379
H 0.896332 1.069030 0.025653
H 3.042410 2.675539 -2.898923
H 2.059383 -0.260592 -2.750848
H 2.594068 0.592623 -4.227762
H 3.763381 0.241860 -2.913229
H 0.200527 1.561266 -2.348954
H 0.731885 2.319090 -3.873042
H 0.657669 3.296164 -2.382277
H -1.775303 2.106835 0.214981
H -2.651798 0.755741 -0.619729
H 1.391703 4.339562 0.823230
H -4.010546 -0.873731 0.709909
H -2.082049 2.501944 2.638870
H -5.408529 -1.251300 2.768604
H -3.463767 2.124146 4.699373
H -5.128482 0.245032 4.767027


