%chk=000023507.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023507

0 1
 O   -1.022900       1.090700     -0.3805000    
 O   -2.218700     -0.2613000       1.127100    
 O    1.944900      6.2300000E-02  0.9500000    
 O    2.138600      0.9504000      -1.190000    
 N    2.966100       2.093600      0.6514000    
 C   -2.413100       1.092100     -0.7266000    
 C   -3.093900      0.7298000      0.5788000    
 C  -0.9111000      0.1493000      0.6988000    
 C   -2.810300       2.444600      -1.283300    
 C   -4.489500      0.1619000      0.4181000    
 C  -7.7200003E-02  -1.030800      0.2689000    
 C    1.312900      -1.019200      0.4140000    
 C  -0.7046000      -2.150900     -0.2833000    
 C    2.069500      -2.119100      9.8000001E-03
 C   5.2000001E-02  -3.250800     -0.6874000    
 C    1.439000      -3.234800     -0.5410000    
 C    2.337100       1.041600      1.7899999E-02
 C    3.481300       3.250700     -4.2700000E-02
 H   -2.560400      0.3136000      -1.485200    
 H   -3.106400       1.577800       1.274900    
 H  -0.4463000      0.6617000       1.548900    
 H   -3.871600       2.473500      -1.545700    
 H   -2.603500       3.242900     -0.5622000    
 H   -2.222300       2.673700      -2.178400    
 H   -4.884400     -0.1545000       1.389400    
 H   -5.173700      0.8974000     -1.4200000E-02
 H   -4.480700     -0.7290000     -0.2194000    
 H   -1.782200      -2.185700     -0.4190000    
 H    3.150400      -2.114100      0.1212000    
 H  -0.4383000      -4.118700      -1.118600    
 H    2.028200      -4.091000     -0.8562000    
 H    3.071400       2.052600       1.660400    
 H    4.552900       3.320300      0.1592000    
 H    2.980600       4.137100      0.3543000    
 H    3.310400       3.179100      -1.119300    


%chk=000023507-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023507

0 1
O -1.174247 1.356356 0.060450
O -2.351463 -0.203090 1.398264
O 1.669391 0.469139 0.421229
O 3.825553 0.347213 -0.609133
N 2.920666 2.327397 0.280335
C -2.517134 1.162001 -0.548575
C -3.340233 0.626093 0.646204
C -0.997385 0.218185 0.995554
C -2.976041 2.494764 -1.130398
C -4.544399 -0.243569 0.290551
C -0.240986 -0.944210 0.360908
C 1.139266 -0.795603 0.051865
C -0.861810 -2.180117 0.079164
C 1.883602 -1.839426 -0.540849
C -0.138184 -3.235496 -0.521116
C 1.227713 -3.057915 -0.831295
C 2.912794 0.992266 -0.039988
C 4.073730 3.187450 0.007201
H -2.453365 0.379120 -1.334707
H -3.642776 1.475464 1.294089
H -0.454496 0.632364 1.862448
H -3.983777 2.397782 -1.573866
H -3.005765 3.270115 -0.344752
H -2.284068 2.828857 -1.921932
H -4.992334 -0.672812 1.202860
H -5.317984 0.359754 -0.219425
H -4.247162 -1.073717 -0.374589
H -1.912307 -2.300937 0.359344
H 2.939856 -1.694017 -0.771015
H -0.633953 -4.188502 -0.734356
H 1.798325 -3.870871 -1.293983
H 2.062812 2.711707 0.678387
H 4.466655 3.637148 0.937631
H 3.811249 3.996553 -0.699106
H 4.862457 2.567356 -0.447300


