%chk=000079170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079170

0 1
 O   -2.162000      -2.187300      -1.116000    
 O    3.333800     -0.1211000       1.288300    
 N   -5.496600      0.1502000      1.0900000E-02
 C   -5.519300       1.387700     -0.7814000    
 C   -6.796900     -0.5333000     -3.4000002E-02
 C   -6.592700       2.350100     -0.2708000    
 C   -7.912100      0.3663000      0.5014000    
 C   -7.966700       1.689900     -0.2530000    
 C   -4.434700     -0.7389000     -0.4595000    
 C   -3.069600     -0.2890000      6.0899999E-02
 C   -1.914800      -1.206400     -0.3848000    
 C  -0.5552000     -0.9249000      4.7600001E-02
 C    6.723400      6.7599997E-02 -0.3215000    
 C    7.950200      0.9655000     -0.1384000    
 C    5.564100      0.4261000      0.6068000    
 C    9.101300      0.6223000      -1.084600    
 C    4.381100     -0.5130000      0.4116000    
 C  -0.2973000      0.1754000      0.8654000    
 C   0.4910000      -1.755200     -0.3547000    
 C    2.052700     -0.3850000      0.8784000    
 C    1.006600      0.4453000       1.280800    
 C    1.794800      -1.485300      6.0699999E-02
 C    10.31930       1.492900     -0.8142000    
 H   -5.701600       1.169500      -1.842100    
 H   -4.560500       1.912500     -0.7197000    
 H   -6.766500      -1.436500      0.5877000    
 H   -7.036200     -0.8491000      -1.058100    
 H   -6.334700       2.684700      0.7421000    
 H   -6.621200       3.243600     -0.9048000    
 H   -8.876000     -0.1480000      0.4156000    
 H   -7.746900      0.5606000       1.568800    
 H   -8.699500       2.358200      0.2121000    
 H   -8.300400       1.511000      -1.282500    
 H   -4.602600      -1.754900     -7.6700002E-02
 H   -4.431900     -0.8249000      -1.554100    
 H   -2.836500      0.7154000     -0.3067000    
 H   -3.093700     -0.2791000       1.157300    
 H    7.016700     -0.9754000     -0.1487000    
 H    6.385600      0.1327000      -1.363300    
 H    8.297000      0.8841000      0.8993000    
 H    7.656700       2.011500     -0.2921000    
 H    5.890800      0.3873000       1.653300    
 H    5.244300       1.460500      0.4299000    
 H    9.379100     -0.4311000     -0.9643000    
 H    8.780300      0.7574000      -2.123800    
 H    4.676200      -1.542900      0.6430000    
 H    4.073200     -0.4497000     -0.6404000    
 H   -1.078200      0.8492000       1.203200    
 H   0.3148000      -2.621900     -0.9864000    
 H    1.202300       1.303500       1.918000    
 H    2.575900      -2.172000     -0.2517000    
 H    10.08200       2.552700     -0.9519000    
 H    10.68360       1.351800      0.2084000    
 H    11.13000       1.233900      -1.502300    


%chk=000079170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079170

0 1
O -2.268045 -2.255152 -0.959851
O 3.315302 0.820262 0.121498
N -5.707524 0.006081 0.140934
C -5.921252 1.313097 -0.533277
C -6.965644 -0.786837 0.174432
C -7.010435 2.140477 0.180069
C -8.086013 -0.029026 0.914253
C -8.335573 1.349733 0.261687
C -4.595098 -0.775377 -0.457607
C -3.219380 -0.156532 -0.154867
C -2.054904 -1.082210 -0.521519
C -0.657168 -0.574914 -0.346325
C 7.025946 0.016538 -0.283064
C 8.308584 0.825600 0.014121
C 5.735062 0.798881 0.052802
C 9.605517 0.049265 -0.309214
C 4.477318 -0.017214 -0.248728
C -0.359928 0.716710 0.177709
C 0.425436 -1.416558 -0.717013
C 2.035507 0.294309 -0.058672
C 0.967080 1.148659 0.321728
C 1.761133 -0.998928 -0.581078
C 10.883012 0.863846 -0.012406
H -6.217213 1.163216 -1.607518
H -4.970194 1.875908 -0.532862
H -6.753890 -1.745525 0.683877
H -7.315465 -1.032756 -0.864544
H -6.660760 2.381347 1.202758
H -7.157681 3.096345 -0.359193
H -9.009684 -0.639431 0.907011
H -7.783068 0.110898 1.970131
H -9.094084 1.919386 0.831539
H -8.740597 1.204320 -0.761566
H -4.617743 -1.793535 -0.030164
H -4.714632 -0.899409 -1.563392
H -3.084398 0.806401 -0.685637
H -3.170970 0.080823 0.927807
H 7.049939 -0.929559 0.297377
H 7.018985 -0.273749 -1.354688
H 8.316627 1.121810 1.083778
H 8.291895 1.769230 -0.569887
H 5.731394 1.080501 1.123201
H 5.700637 1.740249 -0.528250
H 9.621732 -0.892717 0.276267
H 9.595512 -0.248731 -1.377671
H 4.458233 -0.955132 0.344305
H 4.417032 -0.274755 -1.326507
H -1.168653 1.389651 0.480266
H 0.186513 -2.408520 -1.115474
H 1.207867 2.137234 0.723884
H 2.571302 -1.671027 -0.877525
H 10.906588 1.795756 -0.608304
H 10.932911 1.148220 1.055669
H 11.795433 0.287338 -0.251300


