%chk=000006040.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006040

0 1
 O    1.091900      -1.267800     -9.8200001E-02
 O    1.346900       1.507400      0.6349000    
 N   -2.460000     -0.3266000      0.2748000    
 C   -2.640500      0.3676000      -1.008000    
 C   -3.647800      -1.119400      0.6214000    
 C   -3.852100       1.299800     -0.9651000    
 C   -4.892600     -0.2357000      0.7177000    
 C   -1.271100      -1.177600      0.2331000    
 C   -5.117800      0.5467000     -0.5710000    
 C  -2.1700000E-02 -0.3642000     -7.1099997E-02
 C   0.2126000      0.7080000      0.9848000    
 C    2.292100     -0.6075000     -9.6400000E-02
 C    2.414100      0.7403000      0.2483000    
 C    3.423400      -1.343800     -0.4492000    
 C    3.660900       1.364300      0.1981000    
 C    4.672000     -0.7226000     -0.4860000    
 C    4.789700      0.6308000     -0.1681000    
 H   -2.753100     -0.3495000      -1.831600    
 H   -1.796300       1.019200      -1.248000    
 H   -3.499300      -1.605500       1.593300    
 H   -3.817400      -1.913400     -0.1179000    
 H   -1.137100      -1.685500       1.197800    
 H   -1.376300      -1.978100     -0.5121000    
 H   -3.993500       1.770100      -1.945000    
 H   -3.669500       2.108300     -0.2456000    
 H   -4.782200      0.4642000       1.555700    
 H   -5.770800     -0.8551000      0.9322000    
 H   -5.949600       1.248400     -0.4451000    
 H   -5.397600     -0.1449000      -1.375100    
 H  -5.4699998E-02  7.3100001E-02  -1.075500    
 H  -0.6356000       1.394100       1.068900    
 H   0.3917000      0.2716000       1.976200    
 H    3.339200      -2.396100     -0.7067000    
 H    3.762900       2.415700      0.4527000    
 H    5.553100      -1.292200     -0.7667000    
 H    5.762400       1.113000     -0.2015000    


%chk=000006040-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006040

0 1
O 1.127571 -1.171952 -0.304159
O 1.477615 1.445475 0.958721
N -2.494398 -0.271736 0.044903
C -2.906325 0.197991 -1.306350
C -3.613686 -0.966847 0.736141
C -4.104836 1.164057 -1.220325
C -4.834555 -0.037252 0.886387
C -1.262149 -1.094745 0.005650
C -5.292286 0.497203 -0.490040
C -0.001559 -0.224194 -0.106389
C 0.260298 0.623701 1.142362
C 2.400399 -0.571011 -0.158183
C 2.568344 0.709490 0.441052
C 3.523165 -1.279527 -0.632566
C 3.854189 1.281001 0.529185
C 4.811026 -0.710508 -0.530453
C 4.975076 0.575459 0.040712
H -3.180313 -0.673775 -1.958346
H -2.050483 0.705900 -1.786913
H -3.258133 -1.290249 1.732299
H -3.922897 -1.888753 0.175592
H -1.194208 -1.682782 0.940522
H -1.255311 -1.826006 -0.838754
H -4.397818 1.474162 -2.241720
H -3.793578 2.073135 -0.670433
H -4.556178 0.812746 1.539263
H -5.654780 -0.588690 1.384873
H -6.126277 1.213976 -0.369524
H -5.674866 -0.344531 -1.103923
H -0.044435 0.442517 -0.991132
H -0.564971 1.330283 1.312343
H 0.392668 -0.031182 2.027125
H 3.365503 -2.264538 -1.083575
H 3.954043 2.268962 0.989895
H 5.679285 -1.265084 -0.901182
H 5.971158 1.024401 0.112939


