%chk=000185559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185559

0 1
O -5.935082 -0.204726 -0.039229
O -5.250166 2.042010 -0.388833
O 5.870595 0.076885 -0.547314
O 4.897533 2.242319 -0.558054
O 0.067062 0.379217 2.073154
N -0.190096 -1.965127 -0.609295
C 0.957968 -2.806365 -0.134566
C -1.287881 -1.908144 0.410709
C 1.694986 -2.130823 1.037579
C -2.259928 -0.785824 0.121775
C 2.483784 -0.925930 0.602979
C -1.855220 0.540558 -0.100562
C -0.411455 0.934201 -0.227170
C 1.913248 0.351052 0.576685
C 0.465028 0.537591 0.942482
C -3.638233 -1.136765 0.154615
C -2.810577 1.580390 -0.281131
C 3.841760 -1.122606 0.222691
C -4.546531 -0.123120 -0.026668
C -4.136146 1.224649 -0.238495
C 2.647211 1.504827 0.199752
C -0.706734 -2.476189 -1.913301
C 4.546886 -0.002684 -0.144707
C 3.958453 1.299163 -0.152027
C -6.415389 1.163095 -0.252754
C 6.131794 1.497236 -0.811856
H 1.663962 -2.928708 -0.987196
H 0.647372 -3.828800 0.172302
H -0.832707 -1.711344 1.417907
H -1.826956 -2.876991 0.507857
H 2.363285 -2.874714 1.518862
H 0.969811 -1.845712 1.837520
H -0.007523 0.455779 -1.157929
H -0.300504 2.027676 -0.389146
H -3.957472 -2.161883 0.321240
H -2.503199 2.610430 -0.438179
H 4.293364 -2.110080 0.228438
H 2.197399 2.493933 0.199557
H 0.083296 -2.379821 -2.674949
H -1.549813 -1.841514 -2.237158
H -1.053757 -3.519505 -1.898253
H -6.966511 1.471359 0.645378
H -6.963763 1.182582 -1.203260
H 6.376315 1.599587 -1.877165
H 6.888032 1.838239 -0.092487


%chk=000185559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185559

0 1
O -6.092944 -0.247582 -0.173838
O -5.421453 2.035109 -0.484998
O 5.989504 0.029831 -0.527771
O 4.800639 2.033602 -1.100301
O 0.054051 0.015331 1.969981
N -0.116648 -1.891795 -0.370600
C 0.908234 -2.848083 0.123619
C -1.381809 -1.936822 0.395053
C 1.831884 -2.266866 1.239853
C -2.354610 -0.799480 0.085190
C 2.597774 -1.061389 0.726218
C -1.952875 0.559030 -0.107173
C -0.493281 0.997917 -0.192656
C 1.896872 0.140992 0.404076
C 0.449321 0.297931 0.794061
C -3.739650 -1.144608 0.078404
C -2.940505 1.572369 -0.294991
C 3.988367 -1.172396 0.441696
C -4.678616 -0.131313 -0.098980
C -4.284864 1.207052 -0.282552
C 2.563954 1.234010 -0.227105
C -0.290306 -1.922860 -1.838815
C 4.628656 -0.076403 -0.140917
C 3.928643 1.100180 -0.475492
C -6.583773 1.156312 -0.186687
C 6.158085 1.450692 -0.938673
H 1.543120 -3.140978 -0.732613
H 0.424982 -3.776301 0.505456
H -1.110317 -1.873004 1.467826
H -1.905452 -2.911020 0.241484
H 2.532657 -3.067125 1.542258
H 1.227020 -1.995010 2.120830
H -0.107770 0.848521 -1.219158
H -0.443688 2.089693 0.003899
H -4.055541 -2.183141 0.215332
H -2.646160 2.615896 -0.439473
H 4.537625 -2.090357 0.669817
H 2.034607 2.154599 -0.486808
H 0.664977 -1.667539 -2.330008
H -1.050213 -1.183156 -2.141419
H -0.621311 -2.920830 -2.210894
H -6.977882 1.409013 0.816415
H -7.331701 1.267460 -0.986184
H 6.680662 1.483421 -1.906651
H 6.693238 1.994501 -0.136915


