%chk=000049332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049332

0 1
 O  -4.3200001E-02  -2.423500      -1.835400    
 O  -0.9612000      0.2100000       1.942500    
 O   -3.408200      -3.571600       1.065300    
 N   -1.787600      -2.940700     -0.4383000    
 N   -2.246600      -1.624900       1.448600    
 C  -0.7893000     -0.7039000     -0.2970000    
 C   -1.727500      0.1782000      -1.140100    
 C   0.6335000     -0.1287000     -0.3523000    
 C  -0.8014000      -2.094700     -0.9234000    
 C   -1.302700     -0.6572000       1.138600    
 C    1.613100      -1.041900      0.3717000    
 C   -1.791200       1.593700     -0.6024000    
 C   -1.308300      0.1459000      -2.610100    
 C    3.012800     -0.4856000      0.3177000    
 C   -2.552800      -2.760000      0.7077000    
 C   -2.747600       1.911700      0.3448000    
 C  -0.8914000       2.533500      -1.071300    
 C    3.845100     -0.8351000     -0.7355000    
 C    3.446700      0.3673000       1.321800    
 C   -2.806200       3.214400      0.8400000    
 C  -0.9500000       3.836200     -0.5759000    
 C   -1.907500       4.176600      0.3797000    
 C    5.140500     -0.3202000     -0.7857000    
 C    4.742100      0.8823000       1.271500    
 C    5.588900      0.5385000      0.2176000    
 H   -2.749200     -0.2295000      -1.110600    
 H   0.6969000      0.8563000      0.1236000    
 H    1.003800     -9.3999999E-03  -1.374200    
 H    1.634300      -2.053400     -4.8599999E-02
 H    1.328200      -1.173700       1.423000    
 H   -1.926100      0.8486000      -3.185900    
 H   -1.504300     -0.8318000      -3.062800    
 H  -0.2721000      0.4072000      -2.829100    
 H   -1.910100      -3.822800     -0.9277000    
 H   -2.707800      -1.536800       2.349900    
 H   -3.464000       1.177700      0.7016000    
 H  -0.1260000       2.310800      -1.806100    
 H    3.504200      -1.501300      -1.523100    
 H    2.794000      0.6430000       2.145300    
 H   -3.553700       3.480300       1.581800    
 H  -0.2490000       4.585300     -0.9323000    
 H   -1.953200       5.190900      0.7652000    
 H    5.799600     -0.5873000      -1.606600    
 H    5.091300       1.551500       2.052400    
 H    6.597400      0.9398000      0.1784000    


%chk=000049332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049332

0 1
O -0.121311 -2.618836 -1.776687
O -0.756239 0.179905 2.005913
O -3.699060 -3.295809 1.108939
N -1.955853 -2.867462 -0.392470
N -2.305972 -1.447590 1.460199
C -0.682006 -0.718031 -0.296299
C -1.671158 0.221067 -1.199117
C 0.794491 -0.260673 -0.369308
C -0.849052 -2.133866 -0.872379
C -1.202140 -0.619398 1.148073
C 1.781274 -1.139214 0.450901
C -1.873166 1.616337 -0.601252
C -1.220959 0.273547 -2.678567
C 3.202621 -0.607457 0.330796
C -2.734244 -2.578915 0.744798
C -3.056930 1.894028 0.130097
C -0.932233 2.663879 -0.779740
C 4.072884 -1.082124 -0.684153
C 3.669574 0.409590 1.203502
C -3.294107 3.173901 0.677415
C -1.163791 3.944062 -0.232090
C -2.344194 4.205032 0.500681
C 5.377695 -0.556692 -0.823603
C 4.973354 0.937436 1.067970
C 5.832587 0.456205 0.052435
H -2.654754 -0.289769 -1.166749
H 0.851419 0.775170 0.006037
H 1.116511 -0.269159 -1.424547
H 1.737831 -2.179285 0.078328
H 1.470853 -1.138625 1.511929
H -1.999092 0.788663 -3.269199
H -1.069572 -0.733141 -3.102121
H -0.281886 0.835977 -2.809304
H -2.167753 -3.753997 -0.861970
H -2.762432 -1.292791 2.365199
H -3.805655 1.102273 0.263779
H -0.017175 2.491751 -1.356689
H 3.725454 -1.870495 -1.363767
H 3.007521 0.783731 1.994661
H -4.216878 3.366004 1.236066
H -0.423576 4.738437 -0.379180
H -2.523289 5.199805 0.923378
H 6.039142 -0.938589 -1.609842
H 5.320260 1.718698 1.754127
H 6.845205 0.862117 -0.051887


