%chk=000170423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170423

0 1
 O    2.767000      -1.104300       1.393200    
 O   0.5423000      -2.986400     -0.7116000    
 O    2.101300      -4.075600       1.229800    
 O    5.530900     -0.7876000       1.042200    
 O   0.6603000       4.198900      -1.441700    
 N    1.028800      1.4300000E-02  0.2278000    
 N  -0.3793000       1.656900     -0.3693000    
 N    3.104200       1.154500     -0.3273000    
 N    2.812000       3.369900      -1.206900    
 N   -3.052300      -1.936700      -4.007600    
 N    4.948100       2.414700     -0.9205000    
 C    1.501900      -1.275400      0.7256000    
 C    1.734300      -2.312500     -0.3627000    
 C    2.756800      -3.217100      0.2963000    
 C    3.622200      -2.223700       1.065300    
 C   -1.409300     -0.4320000      0.5198000    
 C  -0.2790000      0.4319000      0.1192000    
 C    1.777100       1.047700     -0.2227000    
 C   -2.402000     -0.6568000     -0.6185000    
 C   -2.298800      0.2249000       1.572900    
 C    4.798800      -1.706100      0.2498000    
 C   -3.685800     -0.1927000     -0.2503000    
 C   -3.622700      0.3471000       1.091600    
 C   0.9144000       2.041200     -0.5835000    
 C   -2.173300      -1.242300      -1.853400    
 C   -1.952200      0.6484000       2.846000    
 C   -4.751200     -0.3005000      -1.129100    
 C   -4.609700      0.9108000       1.883500    
 C    1.416900       3.293700      -1.111700    
 C   -3.247700      -1.349500      -2.737800    
 C   -2.947700       1.216800       3.642200    
 C   -4.523400     -0.8822000      -2.379900    
 C    3.579800       2.361500     -0.8360000    
 C   -4.262800       1.348000       3.165400    
 H   0.7985000      -1.613600       1.491200    
 H    2.155900      -1.850300      -1.263300    
 H    3.303800      -3.849900     -0.4074000    
 H    3.979800      -2.635200       2.016000    
 H   -1.131900      -1.419700      0.8956000    
 H    4.499200      -1.222200     -0.6828000    
 H    5.471100      -2.529900     -1.0800000E-02
 H   0.7816000      -3.703500      -1.323000    
 H    1.738200      -3.539700       1.954200    
 H   -1.186000      -1.595000      -2.129200    
 H    3.749400      0.4571000      6.0999999E-03
 H  -0.9391000      0.5448000       3.218600    
 H   -5.743100      5.1500000E-02 -0.8663000    
 H   -5.630700       1.015200       1.531800    
 H   -2.704900       1.561100       4.644100    
 H   -5.353800     -0.9715000      -3.077000    
 H    4.903600     -0.1831000       1.472800    
 H   -5.021000       1.793200       3.804400    
 H   -2.136200      -2.272500      -4.273900    
 H   -3.826500      -2.014000      -4.653700    
 H    5.526400       1.632500     -0.6334000    
 H    5.420500       3.239200      -1.274700    


%chk=000170423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170423

0 1
O 2.545501 -0.739592 1.727800
O 1.005636 -3.323241 -0.368702
O 2.175991 -3.838212 1.981541
O 5.158338 0.057145 1.456032
O 1.128562 3.401974 -3.168443
N 1.025186 -0.008408 0.043847
N -0.240161 1.212954 -1.423017
N 3.216842 1.143623 -0.351383
N 3.134232 2.876624 -2.053307
N -4.012400 -0.950263 -4.453664
N 5.131666 2.383666 -0.913067
C 1.436528 -1.155824 0.845385
C 2.013677 -2.348427 0.024293
C 2.952858 -3.037718 1.045479
C 3.551565 -1.844230 1.813748
C -1.487505 -0.544094 -0.056729
C -0.279051 0.228297 -0.519327
C 1.869683 0.920868 -0.563952
C -2.689669 -0.539117 -1.007905
C -2.119449 -0.091856 1.278495
C 4.893593 -1.371083 1.201777
C -3.887295 -0.315037 -0.267492
C -3.539603 -0.029969 1.132517
C 1.096112 1.661453 -1.468935
C -2.709719 -0.755044 -2.388317
C -1.505964 0.201088 2.506560
C -5.131013 -0.344553 -0.936207
C -4.349278 0.302849 2.241497
C 1.727029 2.708893 -2.301063
C -3.964192 -0.762823 -3.070651
C -2.322051 0.544150 3.616295
C -5.168743 -0.574136 -2.325119
C 3.786227 2.163189 -1.145524
C -3.730955 0.585299 3.482489
H 0.581179 -1.505925 1.449141
H 2.580399 -1.966084 -0.847785
H 3.724580 -3.654782 0.541379
H 3.658011 -2.095643 2.883589
H -1.189789 -1.610079 0.078683
H 4.883995 -1.442731 0.100861
H 5.721396 -1.996562 1.589336
H 0.501073 -3.018397 -1.162431
H 1.483884 -4.325781 1.459156
H -1.777619 -0.856032 -2.955775
H 3.734452 0.748781 0.454094
H -0.415560 0.198299 2.619539
H -6.066244 -0.176891 -0.390279
H -5.439474 0.355198 2.144299
H -1.858443 0.784803 4.579296
H -6.130747 -0.586825 -2.852167
H 5.117943 0.249761 2.426346
H -4.348308 0.851148 4.348251
H -3.156448 -0.958740 -5.001301
H -4.894051 -0.875623 -4.953056
H 5.660107 1.829089 -0.241350
H 5.572184 3.128865 -1.445375


