%chk=000022996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022996

0 1
 O   -1.583900      -1.710400      7.6499999E-02
 O    5.195200     -0.3606000     -2.2700001E-02
 N   -1.802400      0.6224000     -8.6000003E-03
 N   0.2903000     -0.4966000     -9.6400000E-02
 N   0.9735000      0.6651000      7.1000000E-03
 N    2.418200      -1.098100     -9.2799999E-02
 N    3.327000       1.093300      4.5000002E-02
 C   -3.128600      0.6396000      0.5929000    
 C   -4.056000     -0.3378000     -0.1392000    
 C   -3.000000      0.2687000       2.066800    
 C   -4.212400     -3.5000001E-03  -1.617300    
 C   -1.103600     -0.5867000     -1.9400001E-02
 C   -1.414800       1.856700     -0.6924000    
 C    1.184800      -1.543700     -0.1213000    
 C    2.238700      0.2474000     -1.5300000E-02
 C    4.673900      0.7440000      3.7300002E-02
 H   -3.541400       1.654400      0.5346000    
 H   -5.050800     -0.2565000      0.3202000    
 H   -3.786100      -1.389500     -2.3200000E-02
 H   -3.968000      0.3715000       2.569500    
 H   -2.662600     -0.7612000       2.221000    
 H   -2.289600      0.9304000       2.575100    
 H   -3.280300     -0.1598000      -2.168300    
 H   -4.973900     -0.6489000      -2.067300    
 H   -4.530000       1.034900      -1.755700    
 H   -1.038700       2.566900      4.8900001E-02
 H   -2.285900       2.289900      -1.194100    
 H  -0.6663000       1.666000      -1.464900    
 H   0.8813000      -2.580600     -0.1630000    
 H    3.096400       2.081600      0.1030000    
 H    5.289500       1.657800      9.7900003E-02


%chk=000022996-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022996

0 1
O -1.501452 -1.660875 0.638430
O 5.381266 -0.299842 -0.589039
N -1.820024 0.602775 0.117171
N 0.372756 -0.438845 0.016963
N 1.177014 0.715394 0.149571
N 2.478256 -1.175671 -0.287622
N 3.528216 1.057099 0.026036
C -3.245531 0.583573 0.617704
C -4.157490 -0.359675 -0.211305
C -3.310631 0.282448 2.131399
C -4.199578 -0.033067 -1.718417
C -1.064030 -0.528381 0.278610
C -1.392235 1.849197 -0.556236
C 1.182356 -1.538943 -0.229745
C 2.426863 0.197589 -0.046693
C 4.883139 0.787020 -0.226879
H -3.596285 1.622489 0.459421
H -5.177319 -0.277589 0.214837
H -3.822310 -1.399486 -0.054231
H -4.348623 0.413901 2.486535
H -2.998778 -0.753143 2.341904
H -2.662140 0.972282 2.700604
H -3.199785 -0.133354 -2.179887
H -4.877734 -0.725970 -2.248036
H -4.562905 0.996402 -1.904153
H -1.205457 2.654070 0.178137
H -2.194882 2.167725 -1.244342
H -0.467907 1.695905 -1.126229
H 0.790745 -2.545216 -0.336884
H 3.292741 2.017170 0.293366
H 5.485243 1.711718 -0.057088


