%chk=000044433.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044433

0 1
 O   0.3932000      -2.516400     -0.7197000    
 N    3.671100      0.5345000      0.4380000    
 N   0.6223000      -1.416800       1.312400    
 C    2.247600      0.2340000      0.5206000    
 C    2.029500      -1.112400       1.195100    
 C    4.289000     -0.1933000     -0.6721000    
 C    3.886600       1.974500      0.2825000    
 C   -2.497600      -2.373500     -0.4530000    
 C   -1.532500      -2.319000      0.7331000    
 C   -2.478900      -1.124800      -1.345800    
 C  -8.2999997E-02  -2.100700      0.3333000    
 C    5.786100      5.9000000E-02 -0.7283000    
 C    3.280500       2.483400      -1.014400    
 C   -2.889200      0.1411000     -0.6366000    
 C   -4.230200      0.5247000     -0.6143000    
 C   -1.928000      0.9283000     -2.4999999E-03
 C   -4.609900       1.695500      4.1900001E-02
 C   -2.307900       2.099100      0.6538000    
 C   -3.648900       2.482700      0.6761000    
 H    1.758400      0.2383000     -0.4622000    
 H    1.727900      0.9872000       1.128900    
 H    2.504200      -1.931500      0.6468000    
 H    2.439300      -1.106000       2.211400    
 H    4.175200      -1.270500     -0.5050000    
 H    3.828100      1.4000000E-03  -1.647000    
 H    3.423800       2.502800       1.126200    
 H    4.946700       2.241700      0.3458000    
 H   -3.512700      -2.539600     -7.1599998E-02
 H   -2.249900      -3.242100      -1.075900    
 H   -1.573700      -3.274300       1.270600    
 H   -1.854800      -1.550000       1.443400    
 H   -1.490100     -0.9844000      -1.799100    
 H   -3.156300      -1.291500      -2.193900    
 H   0.1441000      -1.112400       2.155200    
 H    6.031600       1.051400      -1.118200    
 H    6.254800     -6.1700001E-02  0.2545000    
 H    6.254800     -0.6670000      -1.402400    
 H    3.788100       2.108400      -1.907300    
 H    2.208300       2.287900      -1.104200    
 H    3.391000       3.574300      -1.044500    
 H   -4.988700     -8.1299998E-02  -1.102700    
 H  -0.8779000      0.6564000     -2.6799999E-02
 H   -5.654000       1.994100      5.9599999E-02
 H   -1.558700       2.714400       1.143600    
 H   -3.944400       3.394800       1.186200    


%chk=000044433-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044433

0 1
O 0.550221 -2.724214 -0.374977
N 3.692980 0.563797 0.229667
N 0.513209 -1.188113 1.371158
C 2.237231 0.375372 0.410129
C 1.948427 -0.875619 1.283617
C 4.250368 -0.255447 -0.877967
C 4.147153 1.975074 0.272721
C -2.387981 -2.398519 -0.565297
C -1.596778 -2.319579 0.760652
C -2.360061 -1.080424 -1.392156
C -0.097550 -2.098858 0.522706
C 5.774233 -0.455278 -0.778223
C 3.713644 2.878725 -0.915720
C -2.939075 0.118375 -0.651626
C -4.332237 0.202157 -0.386414
C -2.105057 1.169906 -0.189815
C -4.875284 1.298573 0.319260
C -2.643430 2.271259 0.516616
C -4.031417 2.338786 0.776111
H 1.692022 0.260118 -0.557405
H 1.819733 1.270446 0.911929
H 2.444056 -1.755808 0.840718
H 2.362258 -0.718462 2.295511
H 3.759134 -1.244963 -0.835944
H 3.994104 0.171072 -1.879874
H 3.771969 2.414475 1.217389
H 5.250360 1.980633 0.348783
H -3.436277 -2.673427 -0.337854
H -1.955465 -3.208233 -1.181453
H -1.708265 -3.280735 1.300382
H -2.015387 -1.528180 1.411300
H -1.315343 -0.874088 -1.691327
H -2.928187 -1.254281 -2.327144
H -0.068195 -0.673365 2.034489
H 6.328790 0.492199 -0.905482
H 6.038830 -0.879836 0.206323
H 6.118706 -1.150062 -1.566165
H 4.126509 2.517755 -1.875079
H 2.612582 2.917782 -1.011242
H 4.077348 3.911908 -0.761185
H -4.996189 -0.595515 -0.743621
H -1.028043 1.128815 -0.397305
H -5.954002 1.346577 0.508266
H -1.983066 3.077537 0.857209
H -4.451675 3.192366 1.319838


