%chk=000008226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008226

0 1
 O   -2.486000      0.4702000      -1.466500    
 O   -6.089200     -0.2907000       1.825900    
 N   0.2253000      -2.460000     -2.4999999E-03
 N    5.603500      0.1905000      0.2103000    
 N   -3.582100      0.2779000      0.5782000    
 C    1.341900      -1.530900     -0.3351000    
 C    1.021400     -4.4799998E-02  7.4000000E-03
 C    2.666700      -2.046800      0.3403000    
 C   -1.372600     -0.6147000      0.3447000    
 C   -1.067200      -1.901600     -0.4257000    
 C    3.741200      -1.022000      0.2594000    
 C    2.138900      0.9249000     -3.2600001E-02
 C    3.403000      0.3365000      9.0899996E-02
 C  -0.2200000      0.3415000      0.3497000    
 C    4.566900       1.086800      6.4999998E-02
 C   0.4039000      -3.783000     -0.6097000    
 C   -2.526000      9.4599999E-02 -0.2977000    
 C    5.112600      -1.091700      0.3315000    
 C    2.092800       2.316000     -0.1850000    
 C    4.538600       2.474000     -8.5000001E-02
 C    3.274200       3.071100     -0.2093000    
 C   -4.804700      0.9553000      0.2115000    
 C   -5.496000      0.2479000     -0.9617000    
 C   -5.734100       1.027400       1.423400    
 C   -6.753100      0.9716000      -1.427400    
 H    1.498800      -1.546600      -1.425700    
 H    3.014200      -2.963700     -0.1486000    
 H    2.482700      -2.278500       1.397500    
 H   -1.598700     -0.8666000       1.388600    
 H   -1.875200      -2.615800     -0.2175000    
 H   -1.075300      -1.734400      -1.512200    
 H  -0.4255000       1.366700      0.6473000    
 H  -0.4487000      -4.431700     -0.3765000    
 H    1.281500      -4.295400     -0.2051000    
 H   0.5010000      -3.727000      -1.699800    
 H    5.787700      -1.925900      0.4605000    
 H    1.143500       2.833100     -0.2977000    
 H    6.583400      0.4368000      0.2303000    
 H    5.446300       3.066500     -0.1061000    
 H   -3.469900     -1.1100000E-02   1.545300    
 H    3.210300       4.150300     -0.3310000    
 H   -4.527100       1.972200     -9.1899998E-02
 H   -4.826000      0.1868000      -1.825000    
 H   -5.744200     -0.7892000     -0.7042000    
 H   -5.235900       1.514200       2.269400    
 H   -6.648500       1.590100       1.218300    
 H   -6.551700       2.029300      -1.624100    
 H   -7.560800      0.8974000     -0.6940000    
 H   -7.118800      0.5205000      -2.356000    
 H   -5.272700     -0.7657000       2.053500    


%chk=000008226-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000008226

0 1
O -2.925033 -0.395972 -2.197758
O -4.072305 2.701692 0.453216
N 0.537470 -2.649008 -0.987040
N 5.313734 0.432636 1.164705
N -3.633738 -0.214665 0.005930
C 1.518851 -1.559172 -0.725787
C 0.852602 -0.360611 -0.011725
C 2.748147 -2.126235 0.073498
C -1.463918 -1.313629 -0.409091
C -0.757830 -2.135287 -1.501185
C 3.670309 -1.006561 0.485520
C 1.775495 0.700422 0.464237
C 3.119909 0.307176 0.656669
C -0.498069 -0.285983 0.156080
C 4.143305 1.200956 1.088029
C 1.075850 -3.705335 -1.871558
C -2.725673 -0.614990 -0.963777
C 5.024569 -0.904372 0.796511
C 1.476046 2.059858 0.719235
C 3.839727 2.556565 1.352028
C 2.494562 2.956877 1.159205
C -4.908149 0.471647 -0.325243
C -5.892939 0.301574 0.854603
C -4.631027 1.952901 -0.683461
C -7.315196 0.814452 0.545607
H 1.925326 -1.159132 -1.695708
H 3.280518 -2.871555 -0.543264
H 2.344577 -2.659812 0.957168
H -1.777936 -2.003693 0.404558
H -1.384709 -2.999222 -1.784967
H -0.642710 -1.498883 -2.409595
H -0.924695 0.559315 0.714448
H 0.290609 -4.460480 -2.050240
H 1.926683 -4.220588 -1.396487
H 1.413642 -3.316457 -2.865466
H 5.809858 -1.658403 0.794743
H 0.465853 2.449166 0.549439
H 6.231939 0.774131 1.438507
H 4.594495 3.277365 1.684360
H -3.470954 -0.484910 0.978797
H 2.227995 4.004218 1.342062
H -5.321350 -0.011513 -1.233805
H -5.941080 -0.774089 1.118139
H -5.492736 0.846439 1.733212
H -3.957845 1.993846 -1.561243
H -5.571848 2.469745 -0.930654
H -7.726357 0.337032 -0.363721
H -7.327283 1.908096 0.394791
H -7.999191 0.589301 1.383200
H -3.169201 2.337446 0.638575


