%chk=000051624.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051624

0 1
 O  -9.0599999E-02 -0.4935000       1.402800    
 O   -5.490300     -0.8521000      -1.776200    
 O   -6.124100      0.3882000     -7.9300001E-02
 N    1.438300       2.914600     -0.4008000    
 N   -5.244600     -0.2579000     -0.6986000    
 C    2.368400       2.217600      0.4922000    
 C    1.616000       1.189700       1.350800    
 C    3.547500       1.638600     -0.3029000    
 C   0.9604000      2.9800000E-02  0.5846000    
 C    3.187200      0.5551000      -1.322500    
 C    1.955600      -1.059500      0.2241000    
 C    3.001500     -0.8015000     -0.6867000    
 C    1.857100      -2.347500      0.7842000    
 C    3.905400      -1.828100      -1.015900    
 C    2.120200       4.010100      -1.084100    
 C   0.2908000       3.410900      0.3536000    
 C    2.763700      -3.354600      0.4499000    
 C    3.787200      -3.095600     -0.4514000    
 C   -1.356900     -0.4355000      0.8867000    
 C   -1.645800      -1.089900     -0.3066000    
 C   -2.344800      0.2765000       1.559300    
 C   -2.936200      -1.031300     -0.8330000    
 C   -3.635300      0.3349000       1.033000    
 C   -3.930800     -0.3190000     -0.1632000    
 H    2.796800       2.944600       1.198800    
 H   0.8864000       1.673400       2.011700    
 H    2.337500      0.7643000       2.065400    
 H    4.267600       1.222500      0.4166000    
 H    4.110300       2.431700     -0.8072000    
 H   0.5332000      0.4095000     -0.3524000    
 H    4.006700      0.4992000      -2.051100    
 H    2.299200      0.8167000      -1.909000    
 H    1.073200      -2.592400       1.496300    
 H    4.716300      -1.643400      -1.716800    
 H    1.398400       4.623700      -1.637400    
 H    2.652700       4.674400     -0.3938000    
 H    2.813900       3.651300      -1.850300    
 H  -0.3989000       2.612300      0.6402000    
 H   0.5821000       3.985100       1.241000    
 H  -0.3180000       4.074100     -0.2740000    
 H    2.667400      -4.340500      0.8954000    
 H    4.494100      -3.876900     -0.7140000    
 H  -0.8853000      -1.657300     -0.8353000    
 H   -2.117600      0.7883000       2.490300    
 H   -3.130800      -1.554400      -1.765800    
 H   -4.384400      0.8998000       1.581900    


%chk=000051624-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051624

0 1
O -0.251031 0.240742 1.469326
O -5.324233 -1.721458 -1.902568
O -6.223634 -1.512410 0.185748
N 1.806662 3.186864 -0.379660
N -5.230345 -1.438925 -0.642147
C 2.686292 2.392017 0.536449
C 1.840184 1.454158 1.442651
C 3.761986 1.592389 -0.250945
C 0.949503 0.493415 0.622421
C 3.197645 0.584691 -1.296461
C 1.662074 -0.802177 0.239721
C 2.737981 -0.739451 -0.695192
C 1.307244 -2.039762 0.824219
C 3.409047 -1.939179 -1.036119
C 2.566084 4.057237 -1.308889
C 0.784586 3.980579 0.346344
C 1.991609 -3.226296 0.477523
C 3.043436 -3.178136 -0.462513
C -1.431909 -0.188212 0.869954
C -1.568340 -0.521190 -0.506164
C -2.550522 -0.276841 1.743787
C -2.819837 -0.928746 -0.999539
C -3.796995 -0.687614 1.253436
C -3.923203 -1.008356 -0.120725
H 3.237485 3.088381 1.223444
H 1.183748 2.045982 2.103180
H 2.521762 0.882036 2.096751
H 4.388042 1.050579 0.483201
H 4.438656 2.300738 -0.763061
H 0.622046 1.044449 -0.284470
H 3.982924 0.374899 -2.045543
H 2.366314 1.083964 -1.834186
H 0.495463 -2.072893 1.556969
H 4.232829 -1.898136 -1.759291
H 1.852645 4.655805 -1.901491
H 3.256964 4.763990 -0.784356
H 3.160695 3.457782 -2.017434
H 0.062883 3.325655 0.861349
H 1.227440 4.674002 1.104424
H 0.217509 4.587150 -0.380765
H 1.702459 -4.177924 0.936644
H 3.576920 -4.092707 -0.744144
H -0.709561 -0.488246 -1.180216
H -2.412583 -0.015009 2.796663
H -2.955723 -1.194891 -2.051022
H -4.672502 -0.762946 1.903201


