%chk=000048399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048399

0 1
 O   0.8192000      0.6718000       2.243300    
 O    1.403700     -0.8977000      -2.143600    
 O    4.458800       1.949500     -0.2422000    
 N    2.687500       1.230000       1.034800    
 N    2.979100      0.4464000      -1.156800    
 C   -2.460500     -1.3500000E-02 -0.4502000    
 C  -0.9670000      0.2838000     -0.3294000    
 C   -3.036800     -0.4530000      0.9025000    
 C   -3.213900       1.207700     -0.9942000    
 C  -0.1998000     -0.9358000      0.1696000    
 C    1.305000     -0.6452000      0.2661000    
 C   -4.540500     -0.7050000      0.8195000    
 C   -4.717400      0.9532000      -1.073900    
 C   -5.285000      0.5079000      0.2703000    
 C    2.029500      -1.890400      0.8079000    
 C    1.543500      0.4811000       1.266700    
 C    1.862400     -0.3755000      -1.128000    
 C    1.877100      -3.059800     -0.1386000    
 C    3.455200       1.244500     -0.1236000    
 H   -2.594500     -0.8376000      -1.164800    
 H  -0.5961000      0.5978000      -1.311800    
 H  -0.8282000       1.139300      0.3411000    
 H   -2.836000      0.3098000       1.665400    
 H   -2.583300      -1.386600       1.248000    
 H   -2.838500       1.465800      -1.991700    
 H   -3.030100       2.077700     -0.3507000    
 H  -0.5507000      -1.242500       1.160100    
 H  -0.4189000      -1.760000     -0.5169000    
 H   -4.928000     -0.9554000       1.813600    
 H   -4.730700      -1.572200      0.1750000    
 H   -4.917100      0.1821000      -1.828100    
 H   -5.228000       1.864300      -1.405800    
 H   -6.348900      0.2696000      0.1609000    
 H   -5.214500       1.334700      0.9879000    
 H    1.636000      -2.164500       1.795100    
 H    3.099000      -1.688500      0.9506000    
 H   0.8418000      -3.364800     -0.3032000    
 H    2.368700      -2.904900      -1.102300    
 H    2.374500      -3.930700      0.3064000    
 H    2.947800       1.896700       1.756200    
 H    3.454300      0.5353000      -2.050700    


%chk=000048399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048399

0 1
O 1.172586 0.395757 2.435956
O 1.544863 -1.011340 -2.191059
O 4.229637 2.357190 -0.461115
N 2.698410 1.320640 0.970783
N 2.918194 0.595073 -1.265060
C -2.478144 0.004704 -0.379082
C -0.965785 0.289426 -0.189030
C -3.167280 -0.466237 0.929570
C -3.199068 1.259839 -0.938189
C -0.142744 -0.959095 0.202095
C 1.393000 -0.709778 0.249466
C -4.684488 -0.701770 0.734065
C -4.715081 1.027345 -1.138301
C -5.387464 0.556374 0.173045
C 2.165017 -2.000888 0.771282
C 1.708797 0.373079 1.298494
C 1.918064 -0.395063 -1.159241
C 1.900236 -3.297933 -0.017454
C 3.350410 1.482539 -0.264518
H -2.582144 -0.809146 -1.132013
H -0.571277 0.702278 -1.141232
H -0.845168 1.075958 0.584196
H -3.011749 0.307276 1.711670
H -2.695728 -1.395458 1.303957
H -2.731091 1.562848 -1.896402
H -3.050187 2.102474 -0.229255
H -0.446991 -1.321909 1.199732
H -0.331653 -1.761546 -0.532701
H -5.146698 -1.003109 1.694390
H -4.834189 -1.545754 0.028501
H -4.866479 0.256445 -1.922450
H -5.196249 1.954987 -1.505227
H -6.462333 0.351593 0.002038
H -5.330572 1.371149 0.924727
H 1.858284 -2.130160 1.826608
H 3.252246 -1.783788 0.775386
H 0.852774 -3.630000 0.081586
H 2.118434 -3.181375 -1.092345
H 2.544554 -4.102715 0.381234
H 2.963254 1.988265 1.702729
H 3.332501 0.737228 -2.192336


