%chk=000159667.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159667

0 1
 O    3.144800      0.2295000      0.1293000    
 O    2.683100       2.450500      0.5207000    
 O   -4.277200       1.775700      0.2871000    
 N    6.737600     -0.5872000      2.5699999E-02
 N   -3.117800     -0.2409000     -5.5799998E-02
 N   -7.903800     -5.9099998E-02 -0.6225000    
 C    5.293200     -0.8114000     -2.1299999E-02
 C    7.456900      -1.845200     -0.1705000    
 C    7.135900      0.3923000     -0.9847000    
 C    4.540300      0.4909000      0.2000000    
 C    7.055200      -2.875400      0.8715000    
 C    8.625000      0.6837000     -0.9099000    
 C   0.9001000      0.8978000      0.2127000    
 C    2.325400       1.302300      0.3082000    
 C   -1.778300      0.1386000      3.4499999E-02
 C  -0.1068000       1.850500      0.3683000    
 C   0.5677000     -0.4346000     -3.2099999E-02
 C   -1.446000       1.471000      0.2792000    
 C  -0.7716000     -0.8142000     -0.1212000    
 C   -4.254400      0.5688000      7.0799999E-02
 C   -5.556700     -0.1379000     -4.8200000E-02
 C   -5.675100      -1.483400      0.2819000    
 C   -6.690800      0.5233000     -0.4915000    
 C   -6.906500      -2.117600      0.1603000    
 C   -7.980300      -1.367900     -0.2922000    
 H    4.958700      -1.491300      0.7700000    
 H    4.980400      -1.264200     -0.9719000    
 H    8.534000      -1.697800     -4.0399998E-02
 H    7.297600      -2.256900      -1.175100    
 H    6.670000       1.364300     -0.8046000    
 H    6.867000      7.3399998E-02  -1.999500    
 H    4.785500      0.9165000       1.180700    
 H    4.743700       1.228900     -0.5796000    
 H    7.067100      -2.457500       1.884000    
 H    6.069900      -3.309100      0.6746000    
 H    7.768100      -3.707900      0.8558000    
 H    8.948700      0.8873000      0.1167000    
 H    9.231600     -0.1299000      -1.319500    
 H    8.856000       1.573700      -1.506700    
 H   0.1326000       2.893300      0.5596000    
 H    1.318900      -1.208800     -0.1596000    
 H   -2.166100       2.266000      0.4109000    
 H   -1.016400      -1.856000     -0.3123000    
 H   -3.254900      -1.224800     -0.2704000    
 H   -4.843100      -2.064400      0.6676000    
 H   -6.667300       1.572400     -0.7700000    
 H   -7.024500      -3.163700      0.4189000    
 H   -8.962600      -1.815200     -0.4027000    


%chk=000159667-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159667

0 1
O 3.162416 0.059065 0.119546
O 2.755488 2.171770 1.020245
O -4.365768 1.791847 0.583064
N 6.809403 -0.680059 -0.317374
N -3.249236 -0.167553 -0.088814
N -8.085245 0.109546 -0.541234
C 5.340602 -0.868520 -0.403066
C 7.560956 -1.946662 -0.115145
C 7.347554 0.159319 -1.423150
C 4.625246 0.298162 0.288876
C 7.424866 -2.502081 1.315315
C 8.648445 0.892854 -1.045239
C 0.882153 0.753392 0.362962
C 2.319483 1.093440 0.543945
C -1.885802 0.194098 0.074543
C -0.094076 1.708012 0.747073
C 0.458984 -0.490600 -0.174536
C -1.468577 1.445511 0.607994
C -0.909693 -0.766322 -0.316518
C -4.394994 0.587097 0.190883
C -5.696514 -0.138425 -0.029767
C -5.860381 -1.541908 0.098960
C -6.846154 0.638748 -0.338632
C -7.138533 -2.105175 -0.104571
C -8.215434 -1.247245 -0.426170
H 5.058628 -1.806380 0.106848
H 4.980774 -0.953496 -1.455662
H 8.628309 -1.736104 -0.308256
H 7.253549 -2.727730 -0.856536
H 6.579948 0.914748 -1.675559
H 7.508460 -0.446914 -2.350734
H 4.865225 0.331881 1.365620
H 4.882500 1.276787 -0.154289
H 7.784413 -1.757569 2.046597
H 6.376284 -2.746203 1.565985
H 8.019135 -3.428059 1.428438
H 8.480693 1.529389 -0.159317
H 9.466795 0.189027 -0.808534
H 8.988650 1.530328 -1.882570
H 0.246616 2.663928 1.158284
H 1.209246 -1.227365 -0.472819
H -2.217966 2.183525 0.896803
H -1.229134 -1.731375 -0.731131
H -3.406288 -1.089315 -0.503101
H -5.025440 -2.188891 0.394831
H -6.753591 1.726903 -0.416925
H -7.303793 -3.181905 -0.002016
H -9.223403 -1.645122 -0.588348


