%chk=000257080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257080

0 1
O -5.086577 0.786898 0.791719
O -4.835510 -1.012862 -0.559776
N 5.757519 0.286503 -0.347902
N 3.659409 0.219061 0.449818
N 4.433850 0.351671 -0.554289
C -0.505757 -0.369923 -0.068475
C 2.260728 0.030852 0.185342
C 0.016519 0.297355 1.055354
C 0.375674 -0.842017 -1.059084
C 1.387734 0.496772 1.189491
C 1.748900 -0.640257 -0.941912
C -1.946056 -0.596200 -0.229786
C -2.901959 0.175205 0.311085
C -6.541564 0.683699 0.693878
C -4.326885 -0.128002 0.093881
C 6.545775 0.990685 -1.396824
C 6.366705 0.303243 1.010153
C -7.010999 1.260837 -0.625717
H -0.657180 0.654576 1.835414
H -0.016856 -1.364863 -1.932125
H 1.792851 1.006311 2.064191
H 2.426011 -1.001176 -1.715888
H -2.222937 -1.462357 -0.850320
H -2.697905 1.056595 0.922404
H -6.828787 -0.375493 0.820009
H -6.851343 1.284304 1.568310
H 6.755479 2.041105 -1.137466
H 7.500628 0.455079 -1.534761
H 6.011261 0.976870 -2.365122
H 6.262174 1.277741 1.513928
H 5.867331 -0.451572 1.648353
H 7.432292 0.040016 0.944768
H -8.103271 1.338549 -0.665022
H -6.594928 2.261621 -0.798088
H -6.693027 0.628272 -1.468642


%chk=000257080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257080

0 1
O -5.225281 0.301350 0.923837
O -4.736200 -0.639160 -1.168528
N 5.846113 0.319365 -0.232353
N 3.720130 0.503802 0.431779
N 4.538819 0.118160 -0.533924
C -0.478609 -0.014711 -0.256407
C 2.344535 0.295368 0.121204
C 0.042390 0.550975 0.946147
C 0.454194 -0.420451 -1.259368
C 1.424059 0.702116 1.129955
C 1.838071 -0.272840 -1.084968
C -1.907765 -0.197583 -0.508225
C -2.950190 0.135123 0.318656
C -6.678690 0.121898 0.642508
C -4.341768 -0.119422 -0.090183
C 6.815177 -0.086171 -1.253432
C 6.276505 0.906748 1.047847
C -7.232729 1.312929 -0.146679
H -0.641272 0.871980 1.739296
H 0.069742 -0.858471 -2.189117
H 1.829736 1.135146 2.050187
H 2.539652 -0.587911 -1.862614
H -2.181935 -0.653414 -1.471554
H -2.811194 0.595535 1.301532
H -6.816888 -0.821981 0.085730
H -7.131643 0.044256 1.644299
H 7.421715 0.775641 -1.590607
H 7.497831 -0.866839 -0.867233
H 6.254264 -0.489468 -2.109801
H 5.835033 1.911365 1.179129
H 5.928067 0.286745 1.893908
H 7.375846 0.971399 1.051945
H -8.326698 1.205037 -0.269959
H -7.036032 2.261188 0.383046
H -6.775685 1.361395 -1.149156


