%chk=000192297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192297

0 1
O 2.240840 2.113766 0.567770
O 4.644189 -0.462800 -0.425880
O 3.743083 -3.096152 -0.247274
O -0.304819 -1.158408 -1.795983
N 1.885029 -1.873617 0.372588
N -1.318532 0.733380 -1.037096
C 2.204105 -0.645344 -0.410456
C 3.469348 -0.002144 0.244563
C 3.542379 1.538805 0.090948
C 1.043310 0.304452 -0.466410
C 0.656333 -2.040882 1.199953
C 1.105661 1.563756 0.082342
C 0.800824 -3.440230 1.845366
C 2.670385 -3.024505 0.337105
C 4.516948 2.163900 1.073923
C 3.744052 1.984083 -1.343896
C 2.010473 -4.107401 1.170083
C -0.159707 -0.138165 -1.144234
C -0.061227 2.414725 0.195135
C -1.290381 1.959173 -0.355289
C -2.587826 0.222944 -1.640402
C -0.003323 3.674182 0.839616
C -2.445514 2.781909 -0.224992
C -1.133469 4.460231 0.952304
C -3.345196 -0.638911 -0.657757
C -2.358349 4.002403 0.416341
C -2.979284 -1.984230 -0.497565
C -4.410350 -0.112885 0.085069
C -3.679765 -2.796875 0.396018
C -5.108584 -0.930829 0.978979
C -4.745826 -2.271984 1.135062
H 2.472948 -0.972332 -1.459196
H 3.541169 -0.285442 1.320602
H -0.252959 -1.989799 0.561444
H 0.590824 -1.232543 1.954579
H -0.117115 -4.035303 1.703223
H 0.954150 -3.356640 2.935230
H 4.611404 3.246471 0.926134
H 4.207246 2.007414 2.115111
H 5.515589 1.716251 0.947363
H 2.932495 1.650912 -2.003607
H 3.822044 3.072180 -1.436115
H 4.671364 1.535082 -1.742779
H 1.713108 -4.950684 0.517375
H 2.728173 -4.524125 1.899801
H 4.641307 -1.473017 -0.476467
H -2.317651 -0.378705 -2.549241
H -3.203637 1.073533 -2.006696
H 0.958567 4.003115 1.244928
H -3.398963 2.444695 -0.629596
H -1.091912 5.426852 1.448737
H -3.246627 4.629992 0.514034
H -2.142411 -2.388068 -1.077417
H -4.696997 0.931198 -0.026630
H -3.398103 -3.841929 0.513918
H -5.936809 -0.520750 1.554429
H -5.292609 -2.907204 1.829302


%chk=000192297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192297

0 1
O 2.285471 2.079401 0.747965
O 4.855890 -0.385594 -0.380027
O 4.078384 -2.953064 -0.686137
O -0.114890 -1.401442 -1.591385
N 2.184713 -1.975311 0.309293
N -1.270415 0.496673 -0.828832
C 2.374371 -0.649278 -0.358382
C 3.627457 0.056362 0.259725
C 3.595784 1.599415 0.126471
C 1.121283 0.205919 -0.293315
C 1.052466 -2.350646 1.193789
C 1.133835 1.473971 0.274551
C 1.500089 -3.723643 1.772061
C 3.016904 -3.034045 0.021964
C 4.680658 2.242775 0.991151
C 3.649870 2.076995 -1.333807
C 2.465264 -4.287941 0.697094
C -0.086187 -0.299506 -0.942056
C -0.081969 2.260372 0.395818
C -1.296110 1.731476 -0.153570
C -2.476704 -0.013105 -1.526861
C -0.087118 3.530125 1.034775
C -2.495172 2.490107 -0.028802
C -1.273872 4.269400 1.148286
C -3.589597 -0.510671 -0.608982
C -2.478343 3.738899 0.615393
C -3.298370 -1.197272 0.595200
C -4.943506 -0.338180 -0.989847
C -4.341015 -1.701123 1.403004
C -5.988751 -0.846273 -0.186018
C -5.690470 -1.529066 1.015399
H 2.605426 -0.876100 -1.420811
H 3.636220 -0.185286 1.347147
H 0.128275 -2.446809 0.595467
H 0.896745 -1.588540 1.977551
H 0.638041 -4.382109 1.966097
H 2.041596 -3.575997 2.723236
H 4.657846 3.341965 0.894172
H 4.537450 1.979052 2.053577
H 5.665070 1.867888 0.665744
H 2.804072 1.690476 -1.928513
H 3.635987 3.179474 -1.376398
H 4.582521 1.704152 -1.787684
H 1.932675 -4.890343 -0.063221
H 3.283134 -4.904107 1.102133
H 4.757750 -1.368787 -0.611083
H -2.107700 -0.854162 -2.143511
H -2.859386 0.769058 -2.208500
H 0.858543 3.908929 1.431928
H -3.439603 2.095683 -0.409165
H -1.273155 5.244991 1.644294
H -3.412031 4.304742 0.706307
H -2.254390 -1.332299 0.900592
H -5.182329 0.191227 -1.921530
H -4.103126 -2.228596 2.333732
H -7.031146 -0.706242 -0.493609
H -6.499031 -1.920493 1.642526


