%chk=000228531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228531

0 1
O 2.479432 0.258225 -0.345808
O 0.433763 -3.125211 -0.007555
O 2.339047 -2.107652 -0.032415
O 5.231595 1.011404 0.958043
N 1.120219 -2.114121 -0.077083
C -3.227651 0.342783 -0.375796
C -3.780302 -0.633538 0.700290
C -1.698413 0.373330 -0.348012
C -3.651907 -0.164183 -1.770966
C -3.837972 1.737331 -0.146939
C -3.357237 -0.287655 2.123971
C -0.987638 -0.819956 -0.224024
C -0.972111 1.574129 -0.486600
C 0.421386 -0.836231 -0.219975
C 0.418610 1.592591 -0.487956
C 1.127813 0.384638 -0.353813
C 3.312200 1.460107 -0.459680
C 4.723989 0.873040 -0.369635
H -4.886286 -0.647452 0.636137
H -3.463687 -1.668940 0.462524
H -3.265834 0.483922 -2.565045
H -3.279093 -1.174598 -1.969943
H -4.741674 -0.191715 -1.873295
H -4.932120 1.681806 -0.101075
H -3.500811 2.174192 0.799555
H -3.590354 2.433888 -0.954043
H -3.716358 -1.042189 2.833992
H -3.758862 0.679935 2.445241
H -2.266251 -0.238601 2.224832
H -1.513894 -1.780140 -0.122526
H -1.504611 2.522642 -0.600333
H 0.945838 2.536480 -0.592802
H 3.104751 1.944604 -1.426467
H 3.090245 2.137231 0.383305
H 5.446253 1.446712 -0.981453
H 4.726944 -0.195319 -0.673178
H 4.799782 0.357112 1.553128


%chk=000228531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228531

0 1
O 2.551699 0.496391 -0.908809
O 0.651128 -3.079217 -0.821826
O 2.422113 -2.029345 0.134824
O 4.401332 -0.010672 1.160684
N 1.248362 -2.009649 -0.412393
C -3.225367 0.264826 -0.343015
C -3.634444 -0.550985 0.933424
C -1.686542 0.375670 -0.438572
C -3.747721 -0.501144 -1.597808
C -3.910276 1.655282 -0.310375
C -3.192327 0.051122 2.284178
C -0.894548 -0.796401 -0.441078
C -1.001007 1.615838 -0.541600
C 0.512032 -0.732945 -0.525086
C 0.401342 1.688364 -0.670147
C 1.188214 0.513375 -0.675968
C 3.405808 1.605888 -0.404144
C 4.686261 0.910032 0.071171
H -4.737967 -0.657776 0.919252
H -3.228274 -1.578494 0.846801
H -3.486362 0.036082 -2.527734
H -3.319878 -1.517880 -1.662498
H -4.848490 -0.600023 -1.552877
H -5.003148 1.524130 -0.211105
H -3.569583 2.273804 0.539010
H -3.728718 2.219506 -1.244135
H -3.487346 -0.612991 3.116809
H -3.656742 1.036787 2.468285
H -2.095371 0.177616 2.329584
H -1.347823 -1.788372 -0.356413
H -1.568054 2.550900 -0.540365
H 0.887760 2.660796 -0.797227
H 3.593623 2.325439 -1.224165
H 2.899101 2.104551 0.443387
H 5.391168 1.660227 0.470907
H 5.163328 0.395806 -0.789572
H 3.755517 -0.697936 0.833197


