%chk=000047229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047229

0 1
 O    3.590300      0.3208000     -0.8092000    
 O    3.615700     -0.6841000       1.287300    
 N   -4.741700     -0.6748000     -0.1655000    
 N    5.589100     -0.3023000      0.1290000    
 C   -4.145600      8.4500000E-02  0.9340000    
 C   -2.608300      7.0000000E-02  0.8418000    
 C   -2.031500      0.6443000     -0.4610000    
 C   -4.668400       1.521100      0.9062000    
 C  -0.5289000      0.5576000     -0.5537000    
 C   -6.198200     -0.6969000     -3.9700001E-02
 C   -4.209600      -2.036400     -0.1930000    
 C   0.2442000       1.604700     -7.5700000E-02
 C   5.4299999E-02 -0.5675000      -1.116200    
 C    1.634100       1.524600     -0.1625000    
 C    1.444200     -0.6476000      -1.202800    
 C    2.234100      0.3984000     -0.7260000    
 C    4.221100     -0.2676000      0.3041000    
 C    6.505200     -0.8486000       1.103000    
 H   -4.418500     -0.3570000       1.903000    
 H   -2.211600      0.6616000       1.679500    
 H   -2.212600     -0.9375000       1.020400    
 H   -2.326100       1.695800     -0.5690000    
 H   -2.461200      0.1365000      -1.333200    
 H   -4.627500       1.960600     -9.6900001E-02
 H   -5.701200       1.586500       1.264600    
 H   -4.074800       2.160800       1.569600    
 H   -6.641500      0.2878000     -0.2176000    
 H   -6.528200      -1.067100      0.9379000    
 H   -6.638000      -1.346200     -0.8065000    
 H   -4.750700      -2.641400     -0.9312000    
 H   -4.301100      -2.541100      0.7760000    
 H   -3.166500      -2.072300     -0.5203000    
 H  -0.2136000       2.484800      0.3667000    
 H  -0.5523000      -1.388200      -1.488400    
 H    2.243600       2.343000      0.2112000    
 H    1.905200      -1.527800      -1.642600    
 H    5.972900      7.6499999E-02 -0.7313000    
 H    7.198000     -5.7799999E-02   1.400600    
 H    7.064200      -1.658700      0.6283000    
 H    5.975800      -1.227600       1.980200    


%chk=000047229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047229

0 1
O 3.661210 0.257223 -0.715700
O 3.833514 -0.745207 1.437958
N -4.778177 -0.715651 -0.161315
N 5.705416 -0.315872 0.073558
C -4.193820 0.103583 0.947234
C -2.642707 0.148065 0.861051
C -2.098055 0.715538 -0.480584
C -4.778173 1.535539 0.959512
C -0.584098 0.607564 -0.562154
C -6.258234 -0.701739 -0.183443
C -4.277198 -2.108915 -0.165766
C 0.251328 1.655559 -0.095283
C 0.032955 -0.568491 -1.063827
C 1.658162 1.536959 -0.118414
C 1.437708 -0.703672 -1.093534
C 2.236024 0.353756 -0.616691
C 4.367225 -0.319582 0.389390
C 6.722743 -0.839862 0.987226
H -4.444841 -0.374189 1.934627
H -2.271928 0.766610 1.702011
H -2.217780 -0.860260 1.023289
H -2.409075 1.772491 -0.580331
H -2.581339 0.162530 -1.307422
H -4.725380 1.990325 -0.045933
H -5.829879 1.555993 1.293174
H -4.199180 2.166810 1.657703
H -6.635921 0.318051 -0.360086
H -6.720066 -1.086432 0.762351
H -6.612444 -1.335813 -1.015757
H -4.772141 -2.670631 -0.977775
H -4.469885 -2.650166 0.796020
H -3.191549 -2.135928 -0.357918
H -0.204650 2.575948 0.289451
H -0.594277 -1.385622 -1.440974
H 2.303650 2.345372 0.239605
H 1.914368 -1.609326 -1.482099
H 5.969976 0.070251 -0.832887
H 7.442848 -0.053744 1.281135
H 7.277095 -1.681337 0.531721
H 6.210975 -1.204330 1.891978


