%chk=000178975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178975

0 1
 O   0.9274000     -0.4157000      0.1728000    
 O    6.082200       1.204000       1.134100    
 O    8.104600     -0.4073000      0.4799000    
 N   -8.253000      -1.332500      0.5314000    
 N   -7.869100      0.8944000      0.3864000    
 N   -8.801400     -0.6179000       1.524200    
 N   -8.599100      0.7062000       1.478800    
 C    3.985300      0.6213000      0.1486000    
 C    3.419500       1.944100      0.5571000    
 C    3.193000     -0.2966000     -0.5409000    
 C    3.624000       3.016700     -0.5195000    
 C    5.308300      0.3063000      0.4583000    
 C   -4.628200      0.3381000     -0.5382000    
 C    1.773600      1.6799999E-02 -0.8846000    
 C   -5.394000     -0.8219000      -1.210900    
 C    5.839000     -0.9265000      7.8599997E-02
 C   -3.162100      0.1396000     -0.3512000    
 C    3.723700      -1.529400     -0.9207000    
 C   -6.895800     -0.5707000      -1.414900    
 C    5.046700      -1.844300     -0.6109000    
 C  -0.4198000     -0.2334000     -1.9999999E-04
 C    3.017300       4.349700     -0.1114000    
 C   -2.682300     -0.4469000      0.8198000    
 C   -2.270800      0.5395000      -1.346800    
 C   -1.311100     -0.6334000      0.9954000    
 C  -0.8997000      0.3531000      -1.171300    
 C    7.217500      -1.277800      0.3921000    
 C   -7.679700     -0.3417000     -0.1564000    
 C    7.604300      -2.733700      0.6206000    
 H    2.354200       1.857100      0.8028000    
 H    3.853500       2.277900       1.508400    
 H    4.694300       3.159600     -0.7114000    
 H    3.181100       2.702300      -1.471400    
 H   -5.075000      0.5478000      0.4424000    
 H   -4.793200       1.253600      -1.122500    
 H    1.644100       1.082100      -1.098300    
 H    1.528500     -0.5305000      -1.806100    
 H   -4.940500      -1.028800      -2.188700    
 H   -5.259700      -1.730600     -0.6095000    
 H    3.118700      -2.254800      -1.458400    
 H   -7.027400      0.3001000      -2.069200    
 H   -7.326300      -1.426200      -1.950300    
 H    5.435300      -2.806800     -0.9317000    
 H    1.938100       4.256400      4.6300001E-02
 H    3.470200       4.719400      0.8140000    
 H    3.183100       5.097400     -0.8933000    
 H   -3.366500     -0.7651000       1.602000    
 H   -2.633700      0.9952000      -2.264600    
 H  -0.9429000      -1.091000       1.909500    
 H  -0.2696000      0.6867000      -1.988200    
 H    5.766700       2.109200      0.9892000    
 H    7.881700      -3.193400     -0.3311000    
 H    6.783600      -3.285900       1.086600    
 H    8.456000      -2.772500       1.306400    
 H   -9.337300      -1.053800       2.266900    


%chk=000178975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178975

0 1
O 0.915534 -0.347316 -0.056106
O 5.906181 1.171219 1.409394
O 8.146426 -0.325109 1.074384
N -8.503959 -1.280776 0.733824
N -7.635980 0.847214 0.757811
N -8.882440 -0.560421 1.836095
N -8.378206 0.731485 1.887728
C 3.911607 0.507527 0.155447
C 3.228673 1.808438 0.557042
C 3.265313 -0.453578 -0.666500
C 3.673736 3.028327 -0.303753
C 5.249569 0.251992 0.590023
C -4.747379 0.522977 -0.821732
C 1.863191 -0.223034 -1.188682
C -5.483063 -0.819551 -1.090458
C 5.951192 -0.939531 0.219312
C -3.248291 0.327312 -0.652802
C 3.942500 -1.643213 -1.030000
C -7.026309 -0.669884 -1.224990
C 5.254584 -1.878396 -0.588981
C -0.448544 -0.116374 -0.333323
C 3.005742 4.341076 0.155287
C -2.696160 -0.000877 0.615977
C -2.361726 0.424390 -1.751472
C -1.316600 -0.221391 0.781636
C -0.970835 0.207214 -1.609037
C 7.371014 -1.218365 0.630804
C -7.718000 -0.372661 0.071022
C 7.886150 -2.656032 0.479043
H 2.134677 1.690357 0.486030
H 3.405808 2.038804 1.632369
H 4.776364 3.135482 -0.277266
H 3.415810 2.828320 -1.362217
H -5.180709 0.999247 0.076903
H -4.949783 1.209067 -1.667903
H 1.757605 0.786952 -1.636608
H 1.612557 -0.976238 -1.961002
H -5.094717 -1.262032 -2.028206
H -5.249742 -1.540070 -0.282794
H 3.433065 -2.385248 -1.654141
H -7.247807 0.138951 -1.946901
H -7.455385 -1.604427 -1.627061
H 5.758081 -2.802388 -0.886218
H 1.903408 4.265076 0.106308
H 3.277156 4.586847 1.199699
H 3.314936 5.190158 -0.480403
H -3.358044 -0.074350 1.487667
H -2.759450 0.681311 -2.741375
H -0.889143 -0.469664 1.758133
H -0.321829 0.294236 -2.485468
H 5.289589 1.906124 1.660950
H 8.019294 -2.919624 -0.587757
H 7.196801 -3.394176 0.926479
H 8.867138 -2.720221 0.974045
H -9.492300 -0.939656 2.559741


