%chk=000096411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096411

0 1
 O   -3.166900      0.3451000      -1.757300    
 N   0.2693000     -0.8275000     -0.2719000    
 N   -3.484900     -9.6400000E-02   1.534900    
 N   -3.437500       2.048500     -0.2345000    
 C   -2.452300     -3.1099999E-02  0.5009000    
 C   -1.200400      0.6584000       1.057700    
 C   -2.112700      -1.445100      1.3500000E-02
 C  -1.5100000E-02  0.5673000      8.9400001E-02
 C  -0.8923000      -1.455900     -0.9147000    
 C    1.439500     -0.9005000      -1.146900    
 C   -3.054500      0.7843000     -0.6154000    
 C   -4.691900     -0.7208000       1.017200    
 C    2.669900     -0.3380000     -0.4861000    
 C    2.965600       1.010600     -0.6279000    
 C    3.490800      -1.175900      0.2559000    
 C    4.105300       1.531900     -1.5699999E-02
 C    4.630400     -0.6544000      0.8683000    
 C    4.937600      0.6995000      0.7325000    
 H  -0.9071000      0.1747000       2.001000    
 H   -1.375400       1.712300       1.305000    
 H   -2.936000      -1.912600     -0.5401000    
 H   -1.898800      -2.097000      0.8724000    
 H  -0.2081000       1.181100     -0.7998000    
 H   0.8122000       1.020500      0.6414000    
 H  -0.6586000      -2.504200      -1.140700    
 H   -1.116800     -0.9736000      -1.872900    
 H   -3.146000     -0.6272000       2.336900    
 H    1.261900     -0.3789000      -2.098000    
 H    1.639400      -1.946400      -1.416800    
 H   -5.127900     -0.2339000      0.1403000    
 H   -5.459500     -0.6503000       1.797100    
 H   -4.572900      -1.790600      0.8219000    
 H   -3.845200       2.691600     -0.9051000    
 H   -3.374300       2.375500      0.7240000    
 H    2.336400       1.668800      -1.220600    
 H    3.260000      -2.231200      0.3700000    
 H    4.346600       2.585200     -0.1244000    
 H    5.278400      -1.302400       1.451300    
 H    5.825400       1.105300       1.208700    


%chk=000096411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096411

0 1
O -2.956334 0.914348 -1.838145
N 0.278187 -0.552739 -0.481155
N -3.469485 -0.230346 1.580710
N -4.098919 1.796544 -0.008936
C -2.525839 -0.035173 0.434471
C -1.266765 0.690785 1.006650
C -2.072082 -1.367583 -0.236670
C -0.121996 0.799259 -0.014056
C -0.853424 -1.227172 -1.172707
C 1.495953 -0.516821 -1.326224
C -3.215135 0.917654 -0.595546
C -4.625543 -1.129645 1.355240
C 2.760649 -0.166370 -0.546797
C 3.775992 0.624626 -1.138429
C 2.962484 -0.668482 0.764187
C 4.974847 0.902687 -0.441404
C 4.156056 -0.388997 1.465071
C 5.169250 0.395739 0.863847
H -0.898136 0.096894 1.868748
H -1.550114 1.693210 1.377254
H -2.905143 -1.809138 -0.814013
H -1.808859 -2.069779 0.580804
H -0.430973 1.448333 -0.870336
H 0.751328 1.274693 0.467225
H -0.515258 -2.237445 -1.475076
H -1.163320 -0.673017 -2.086921
H -2.949776 -0.484225 2.431805
H 1.387424 0.188505 -2.189520
H 1.613521 -1.529073 -1.764513
H -5.235446 -0.742504 0.519044
H -5.259125 -1.133515 2.260029
H -4.353029 -2.180951 1.118648
H -4.570669 2.499327 -0.575422
H -4.284207 1.659988 0.991106
H 3.627190 1.026801 -2.148808
H 2.164054 -1.266047 1.218587
H 5.750826 1.516616 -0.913073
H 4.299295 -0.782358 2.478446
H 6.096119 0.612070 1.407377


