%chk=000047869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047869

0 1
 O   0.4816000      -1.993300      0.5137000    
 O    3.493900       1.283400      0.5592000    
 O    2.751200      -2.265800      0.3939000    
 O    1.676800       1.123100       1.941800    
 O   -5.162100       1.065100      0.1019000    
 N   -2.684900     -0.2629000     -0.3466000    
 C    1.738300     -0.1160000     -0.1595000    
 C   0.2752000      9.7400002E-02 -0.5040000    
 C  -0.4271000     -0.8907000      0.4047000    
 C    2.659500      0.1898000      -1.326800    
 C    3.934600      0.6291000     -0.6372000    
 C   -1.755100      -1.372900     -0.1483000    
 C    1.758200      -1.566300      0.2643000    
 C    2.252600      0.8230000      0.9072000    
 C   -2.978300      0.4061000      0.9286000    
 C   -3.931400     -0.7310000     -0.9680000    
 C    4.765800       1.587500      -1.469700    
 C   -3.959500       1.552000      0.6987000    
 C   -4.889400      0.4421000      -1.153800    
 H   9.6400000E-02 -0.1580000      -1.556800    
 H  -7.0600003E-02   1.123900     -0.3431000    
 H  -0.5306000     -0.4995000       1.422100    
 H    2.250200       1.012800      -1.927300    
 H    2.831700     -0.6599000      -1.995600    
 H    4.548200     -0.2309000     -0.3441000    
 H   -2.174100      -2.136700      0.5211000    
 H   -1.575100      -1.887500      -1.102000    
 H   -2.086000      0.8510000       1.377400    
 H   -3.407800     -0.3060000       1.645100    
 H   -4.407200      -1.494200     -0.3384000    
 H   -3.724300      -1.178400      -1.946900    
 H    5.652900       1.904100     -0.9108000    
 H    5.088700       1.122000      -2.405500    
 H    4.203700       2.498400      -1.703200    
 H   -4.226700       2.012200       1.655400    
 H   -3.526600       2.334700      6.3699998E-02
 H   -4.487400       1.186300      -1.852100    
 H   -5.840600      8.5500002E-02  -1.561700    


%chk=000047869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047869

0 1
O 0.540594 -1.920948 0.604027
O 3.614603 1.236621 0.538440
O 2.796612 -2.285241 0.184712
O 1.674943 1.270923 1.815423
O -5.364133 1.041294 -0.008172
N -2.772516 -0.270813 -0.164063
C 1.760359 -0.052332 -0.316770
C 0.251474 0.177399 -0.557133
C -0.422467 -0.761861 0.468076
C 2.760686 0.194725 -1.466415
C 4.079522 0.565489 -0.742850
C -1.775617 -1.346717 0.046869
C 1.812964 -1.526666 0.179398
C 2.298975 0.870777 0.817309
C -3.266182 0.321483 1.111420
C -3.923658 -0.723430 -0.993186
C 4.995746 1.536169 -1.475895
C -4.225400 1.484190 0.812183
C -4.868430 0.457861 -1.265220
H -0.024061 -0.124098 -1.584372
H -0.052376 1.223845 -0.405554
H -0.459956 -0.286286 1.462604
H 2.417870 1.043625 -2.087008
H 2.891837 -0.690178 -2.109807
H 4.613671 -0.345945 -0.422645
H -2.105326 -2.093404 0.809656
H -1.637160 -1.890899 -0.906363
H -2.414281 0.706181 1.701162
H -3.794864 -0.445731 1.730752
H -4.497289 -1.538942 -0.486118
H -3.540940 -1.118558 -1.953154
H 5.869941 1.794720 -0.855270
H 5.360992 1.071187 -2.409955
H 4.460315 2.467179 -1.731942
H -4.667251 1.881700 1.740403
H -3.674497 2.292628 0.284509
H -4.333330 1.234158 -1.854077
H -5.766671 0.129397 -1.813572


