%chk=000048453.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048453

0 1
 O  -0.4173000       1.487800       1.885300    
 O    1.406400      -2.590000      0.8993000    
 O    2.854800       1.183300      -1.408600    
 N    1.150300       1.382100      0.1582000    
 N    2.111800     -0.7448000     -0.3465000    
 C   3.7500001E-02 -0.6464000      0.9398000    
 C   -1.090300     -0.9138000     -5.4299999E-02
 C   -2.407200     -0.3096000      0.4313000    
 C   -3.564200     -0.4907000     -0.5687000    
 C   0.2380000      0.8392000       1.068400    
 C    1.255300      -1.426400      0.5240000    
 C   -3.186000      0.1276000      -1.917100    
 C   -4.871400      0.1253000     -6.7800000E-02
 C    2.084400      0.6453000     -0.6055000    
 C    1.216900       2.835600      4.8500001E-02
 C    3.180900      -1.504500     -0.9861000    
 H  -0.2411000      -1.016400       1.935800    
 H  -0.8049000     -0.4978000      -1.026500    
 H   -1.218100      -1.993700     -0.2012000    
 H   -2.686000     -0.7665000       1.389100    
 H   -2.305800      0.7651000      0.6108000    
 H   -3.735300      -1.564300     -0.7181000    
 H   -2.412600     -0.4528000      -2.428600    
 H   -2.833000       1.158200      -1.803400    
 H   -4.051800      0.1448000      -2.588800    
 H   -4.771900       1.206900      7.2800003E-02
 H   -5.685600     -5.2400000E-02 -0.7782000    
 H   -5.161700     -0.3154000      0.8916000    
 H    2.140500       3.174700      0.5281000    
 H   0.3615000       3.321300      0.5247000    
 H    1.249400       3.121700      -1.007500    
 H    3.196200      -1.278200      -2.057000    
 H    3.058400      -2.581800     -0.8495000    
 H    4.135400      -1.189500     -0.5526000    


%chk=000048453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048453

0 1
O -0.392824 1.760533 1.653262
O 1.213937 -2.626773 0.705981
O 3.255330 1.122609 -1.184799
N 1.383103 1.458707 0.167982
N 2.230297 -0.766199 -0.273674
C 0.022519 -0.510174 0.862112
C -1.153497 -0.765075 -0.160142
C -2.520371 -0.254320 0.342107
C -3.690096 -0.552776 -0.636153
C 0.314213 0.978582 0.962785
C 1.198332 -1.390677 0.462263
C -3.549584 0.213391 -1.974473
C -5.039518 -0.210318 0.039489
C 2.330522 0.631980 -0.485468
C 1.608705 2.920918 0.059791
C 3.321395 -1.594070 -0.843701
H -0.327432 -0.852229 1.851626
H -0.892685 -0.303037 -1.131599
H -1.203706 -1.859903 -0.316262
H -2.738904 -0.737767 1.316330
H -2.477434 0.834046 0.539197
H -3.683791 -1.641802 -0.858395
H -2.639870 -0.074913 -2.532503
H -3.507893 1.305201 -1.794024
H -4.416221 0.013939 -2.631592
H -5.089182 0.867241 0.288436
H -5.889834 -0.442178 -0.628240
H -5.176888 -0.780282 0.977229
H 2.590143 3.188569 0.483531
H 0.805393 3.417983 0.621991
H 1.591295 3.224181 -0.998943
H 3.378529 -1.438680 -1.932547
H 3.090934 -2.643513 -0.611040
H 4.288583 -1.309294 -0.398857


