%chk=000273618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273618

0 1
S 0.928907 2.108606 -0.992216
O 5.937273 0.930500 0.556150
O 5.998674 -1.185069 1.270583
N -4.796815 -0.198148 -0.034201
N -1.679926 1.401423 -1.441814
N -0.191780 -0.238039 -0.460972
C -3.533865 0.600947 0.041419
C -2.895046 0.549962 -1.364570
C -5.858948 0.347356 0.874129
C -4.528411 -1.650588 0.243924
C -6.420182 1.651989 0.306844
C -5.653861 -2.505414 -0.339236
C -0.487965 0.970309 -0.942533
C 1.945964 0.849555 -0.338843
C 1.172007 -0.335245 -0.126001
C 3.296767 0.899579 -0.043693
C 1.789443 -1.486958 0.395194
C 3.897666 -0.258372 0.477424
C 3.145008 -1.437204 0.691282
C 5.328117 -0.284314 0.816903
H -2.812945 0.226424 0.801327
H -3.759219 1.652837 0.317337
H -3.617714 0.900935 -2.135252
H -2.628236 -0.501931 -1.628454
H -6.678670 -0.405413 0.931034
H -5.499147 0.502641 1.913993
H -3.566449 -1.932415 -0.242660
H -4.403804 -1.864715 1.327343
H -1.821134 2.393430 -1.614620
H -5.690505 2.467678 0.345406
H -6.709887 1.526952 -0.745580
H -7.308255 1.970535 0.862725
H -6.599721 -2.362156 0.195136
H -5.839159 -2.246008 -1.390571
H -5.400398 -3.569758 -0.295085
H 3.892806 1.802816 -0.204739
H 1.201303 -2.390227 0.554968
H 3.653623 -2.318504 1.097877
H 6.905183 0.917204 0.783442


%chk=000273618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273618

0 1
S 1.008444 2.313070 -1.018598
O 5.960124 0.564977 0.584029
O 5.740246 -1.647248 1.256881
N -4.700091 -0.115806 0.059279
N -1.708093 1.714844 -1.409380
N -0.315016 -0.016106 -0.531538
C -3.620172 0.896257 0.022999
C -2.939488 0.898083 -1.371253
C -5.881936 0.290884 0.864072
C -4.191334 -1.474930 0.402191
C -6.750684 1.351618 0.161586
C -5.048686 -2.605368 -0.197292
C -0.511992 1.218021 -0.976789
C 1.916136 0.876026 -0.361643
C 1.023036 -0.239511 -0.185973
C 3.276856 0.796133 -0.050597
C 1.540843 -1.459410 0.317703
C 3.775991 -0.437051 0.453182
C 2.905936 -1.551307 0.632067
C 5.203607 -0.603988 0.805580
H -2.840540 0.711531 0.798210
H -4.045589 1.897040 0.221431
H -3.643845 1.279851 -2.130209
H -2.668209 -0.134811 -1.645995
H -6.497533 -0.611696 1.029818
H -5.580671 0.658012 1.877896
H -3.160155 -1.559203 0.011402
H -4.113095 -1.604297 1.510797
H -1.763774 2.691334 -1.695289
H -6.190016 2.285976 -0.026366
H -7.107424 0.967044 -0.809747
H -7.626925 1.609866 0.785297
H -6.087213 -2.581720 0.180553
H -5.085892 -2.512620 -1.296716
H -4.621449 -3.592171 0.061695
H 3.960838 1.637958 -0.180170
H 0.864526 -2.308249 0.450999
H 3.331588 -2.481414 1.021597
H 6.902349 0.379580 0.841692


