%chk=000072543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072543

0 1
 O   -3.343800       2.719700      -1.282400    
 O   -5.640900      -1.701700      0.9810000    
 O    2.659600      -1.923500     -5.0700001E-02
 O   -7.117000      0.4444000      0.4178000    
 O   -1.827800      0.6639000     -0.5822000    
 N   -3.951700       1.562500     -0.7559000    
 N   -5.036100     -0.5326000      0.4832000    
 C   -5.209400       1.836600     -7.4900001E-02
 C   -5.899600      0.5119000      0.2401000    
 C   -3.672300     -0.5490000      0.3350000    
 C   -3.034500      0.6140000     -0.3586000    
 C   -6.137500       2.740200     -0.8837000    
 C    6.262000      0.4696000      -1.678600    
 C    6.584200       1.507700     -0.5955000    
 C    4.839300     -4.6500001E-02  -1.624900    
 C   -2.880200      -1.560300      0.7217000    
 C   -1.442800      -1.654700      0.5211000    
 C    4.494400      -1.334100      -1.428700    
 C    6.391700      0.9704000      0.7957000    
 C    3.120300      -1.923700      -1.395300    
 C    3.771600      0.9944000      -1.846000    
 C  -0.5700000      -1.130500       1.474500    
 C  -0.9369000      -2.269400     -0.6243000    
 C    1.305100      -1.835500      0.1388000    
 C    5.640700       1.483700       1.788300    
 C   0.8087000      -1.221300       1.282800    
 C   0.4417000      -2.360100     -0.8161000    
 C    4.800400       2.724900       1.689900    
 C    5.580900      0.7990000       3.128000    
 H   -4.964900       2.312000      0.8833000    
 H   -6.378700       2.289100      -1.852900    
 H   -5.679600       3.716500      -1.073600    
 H   -7.079500       2.917300     -0.3537000    
 H    6.439900      0.9147000      -2.665600    
 H    6.966200     -0.3684000      -1.593700    
 H    7.639800       1.789700     -0.6986000    
 H    6.017000       2.422900     -0.7799000    
 H   -3.303000      -2.432600       1.215500    
 H    5.299000      -2.049900      -1.265800    
 H    6.959300      6.3900001E-02   1.004800    
 H    2.457900      -1.387500      -2.083200    
 H    3.181200      -2.961000      -1.747400    
 H    2.747700      0.6184000      -1.820000    
 H    3.824300       1.770700      -1.077500    
 H    3.915800       1.471200      -2.821600    
 H  -0.9486000     -0.6482000       2.372500    
 H   -1.604900      -2.688600      -1.373100    
 H    1.485400     -0.8108000       2.026900    
 H   0.7935000      -2.873800      -1.705400    
 H   -3.532400       2.594700      -2.228300    
 H   -5.820600      -1.433400       1.898700    
 H    3.743000       2.472300       1.821600    
 H    4.896400       3.251500      0.7391000    
 H    5.084500       3.432300       2.476600    
 H    5.937900       1.472400       3.914100    
 H    6.195400     -0.1067000       3.162700    
 H    4.550500      0.5093000       3.359000    


%chk=000072543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072543

0 1
O -5.912440 1.457822 2.854594
O -5.637106 -1.319695 -1.929940
O 2.376024 -0.994301 0.081851
O -7.932228 -0.437569 -1.127424
O -3.606626 0.658138 2.059823
N -5.824094 0.778620 1.588600
N -5.678212 -0.536743 -0.720919
C -7.092881 0.755714 0.860759
C -6.942853 -0.111957 -0.380077
C -4.414039 -0.317145 -0.071502
C -4.550220 0.388245 1.221584
C -7.598261 2.173776 0.488325
C 7.099066 -1.138232 -0.273369
C 7.771945 0.221628 0.094310
C 5.736160 -1.006156 -0.946279
C -3.276969 -0.788299 -0.707334
C -1.845437 -0.802527 -0.425976
C 4.651451 -1.634504 -0.406368
C 6.936877 1.045326 1.054098
C 3.249325 -1.647695 -0.940686
C 5.710240 -0.165332 -2.209186
C -1.179831 -0.285924 0.734228
C -1.027903 -1.405784 -1.434252
C 1.001469 -0.973402 -0.156603
C 6.641416 2.375711 0.990565
C 0.211973 -0.371938 0.860788
C 0.369560 -1.496402 -1.316877
C 7.124220 3.319961 -0.097783
C 5.772880 3.030074 2.053945
H -7.849453 0.270053 1.508140
H -6.868741 2.695403 -0.154931
H -7.750602 2.763099 1.406432
H -8.554007 2.082288 -0.053710
H 7.789106 -1.686398 -0.949972
H 6.998244 -1.749017 0.644270
H 8.753044 -0.015007 0.558419
H 8.000117 0.787679 -0.826929
H -3.519355 -1.271357 -1.662325
H 4.784644 -2.200528 0.525974
H 6.521225 0.474785 1.900225
H 3.149014 -1.103544 -1.898147
H 2.887641 -2.688181 -1.079751
H 4.748433 -0.209226 -2.744613
H 5.905081 0.896482 -1.964370
H 6.505430 -0.486593 -2.909642
H -1.779004 0.173957 1.523420
H -1.507949 -1.812268 -2.333499
H 0.720929 0.020912 1.746486
H 0.947476 -1.964090 -2.118777
H -4.932685 1.429243 3.137625
H -6.626024 -1.322735 -2.175564
H 6.266706 3.829197 -0.581084
H 7.711732 2.816701 -0.883487
H 7.759452 4.118597 0.335062
H 6.312786 3.855403 2.560226
H 5.452458 2.306026 2.822644
H 4.863396 3.475707 1.603583


