%chk=000013496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013496

0 1
 O   -1.313700      -1.397400      0.7784000    
 N    4.189700      2.4400000E-02 -5.5100001E-02
 N   4.4100001E-02  -1.467300       1.065900    
 C    2.770600     -0.2504000     -0.2780000    
 C    1.948800      4.1200001E-02  0.9800000    
 C    4.388200       1.428400      0.3032000    
 C    4.969100     -0.3146000      -1.245100    
 C   0.4911000     -0.2554000      0.7847000    
 C    5.850100       1.718100      0.5984000    
 C    4.774900      -1.770800      -1.632300    
 C  -0.4826000      0.6216000      0.3269000    
 C   -1.615200     -0.1487000      0.3392000    
 C   -2.990900      7.5999998E-02  1.3000000E-03
 C   -3.409400       1.328200     -0.4614000    
 C   -3.926700     -0.9556000      0.1328000    
 C   -4.747700       1.546400     -0.7889000    
 C   -5.265000     -0.7376000     -0.1947000    
 C   -5.675500      0.5134000     -0.6554000    
 H    2.381700      0.3293000      -1.126400    
 H    2.603800      -1.308100     -0.5088000    
 H    1.995600       1.096100       1.269400    
 H    2.333500     -0.5396000       1.828600    
 H    4.022500       2.109200     -0.4756000    
 H    3.870900       1.678300       1.232900    
 H    4.718500      0.3293000      -2.097600    
 H    6.040300     -0.2014000      -1.048900    
 H    6.281500      0.9782000       1.281400    
 H    6.459600       1.762700     -0.3094000    
 H    5.940200       2.698200       1.081000    
 H    4.870700      -2.439400     -0.7698000    
 H    3.812300      -1.950600      -2.121000    
 H    5.546100      -2.062000      -2.354800    
 H  -0.3826000       1.655600      3.1099999E-02
 H   -2.710400       2.153000     -0.5759000    
 H   -3.646700      -1.944100      0.4885000    
 H   -5.067700       2.520300      -1.147600    
 H   -5.987900      -1.541600     -9.0999998E-02
 H   -6.717500      0.6831000     -0.9102000    


%chk=000013496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013496

0 1
O -1.433926 -1.605153 0.794596
N 4.147708 0.202466 -0.300100
N 0.007280 -1.736003 1.062638
C 2.698499 -0.063510 -0.455442
C 2.001592 -0.280594 0.916734
C 4.436890 1.626223 0.021380
C 4.961245 -0.320279 -1.432010
C 0.519686 -0.512032 0.775192
C 5.766989 1.818339 0.774910
C 5.139150 -1.849861 -1.383415
C -0.494773 0.409242 0.334623
C -1.693715 -0.294617 0.358178
C -3.083205 0.041858 0.040524
C -3.422991 1.347538 -0.410578
C -4.110833 -0.932509 0.178132
C -4.760178 1.669989 -0.716726
C -5.446544 -0.604210 -0.129960
C -5.778146 0.696214 -0.578229
H 2.182558 0.757897 -1.013642
H 2.564631 -0.981198 -1.054626
H 2.177732 0.599728 1.563657
H 2.468319 -1.148919 1.411414
H 4.428306 2.261960 -0.901191
H 3.616638 2.000786 0.662436
H 4.527726 -0.019430 -2.419801
H 5.959306 0.150535 -1.374216
H 5.760134 1.233038 1.710651
H 6.633886 1.488136 0.174644
H 5.920396 2.885399 1.022802
H 5.628364 -2.144570 -0.438976
H 4.171816 -2.380794 -1.443246
H 5.762300 -2.194038 -2.230084
H -0.343508 1.448020 0.052192
H -2.642184 2.108162 -0.521533
H -3.850278 -1.936961 0.525507
H -5.009852 2.678792 -1.063049
H -6.229753 -1.362132 -0.020501
H -6.816965 0.948889 -0.817081


