%chk=000052652.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052652

0 1
 O    1.318000       1.277800      0.9589000    
 N    2.220400      -1.456000      0.3962000    
 C   0.9519000     -0.8692000     -5.6000002E-02
 C  -0.2133000      -1.284100      0.8814000    
 C    1.079000      0.6413000     -0.1914000    
 C   -1.552400     -0.8073000      0.4297000    
 C    3.282700      -1.160500     -0.5490000    
 C   0.9937000       1.447200      -1.258600    
 C   -2.030100      0.4331000      0.8524000    
 C   -2.326900      -1.601700     -0.4160000    
 C    4.601400      -1.766900     -0.1001000    
 C    1.200600       2.747000     -0.7380000    
 C    1.393300       2.590300      0.6147000    
 C   -3.282300      0.8793000      0.4298000    
 C   -3.579000      -1.155400     -0.8386000    
 C   -4.056700      8.5100003E-02 -0.4157000    
 H   0.7214000      -1.274000      -1.052500    
 H  -0.2366000      -2.379400      0.9698000    
 H  -2.4599999E-02 -0.9209000       1.901600    
 H    2.115000      -2.465600      0.4928000    
 H    3.037600      -1.556000      -1.542100    
 H    3.456700     -8.4200002E-02 -0.6496000    
 H   0.8083000       1.171300      -2.286400    
 H   -1.445900       1.059600       1.520600    
 H   -1.965000      -2.568900     -0.7545000    
 H    4.906400      -1.372400      0.8751000    
 H    4.529700      -2.857000     -2.1700000E-02
 H    5.391500      -1.532900     -0.8210000    
 H    1.208000       3.681100      -1.280900    
 H    1.584700       3.276100       1.427200    
 H   -3.655300       1.844000      0.7610000    
 H   -4.181900      -1.773400      -1.497600    
 H   -5.031800      0.4323000     -0.7445000    


%chk=000052652-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052652

0 1
O 1.333261 1.404059 1.002934
N 2.235792 -1.423390 0.290660
C 0.962199 -0.791875 -0.132890
C -0.157507 -1.233607 0.867214
C 1.093058 0.706592 -0.205801
C -1.553434 -0.815072 0.436334
C 3.388185 -1.244730 -0.618020
C 1.001763 1.619723 -1.242612
C -2.078035 0.451702 0.800989
C -2.353911 -1.673798 -0.360674
C 4.623178 -1.981662 -0.072381
C 1.194286 2.942311 -0.681021
C 1.392511 2.771464 0.677417
C -3.366542 0.849798 0.380409
C -3.643761 -1.280265 -0.784109
C -4.154876 -0.014787 -0.414127
H 0.650532 -1.111537 -1.160582
H -0.110534 -2.337958 0.951250
H 0.100416 -0.813798 1.855365
H 2.094309 -2.413081 0.536197
H 3.169964 -1.595713 -1.659132
H 3.603842 -0.162359 -0.690567
H 0.812780 1.375606 -2.286349
H -1.470846 1.126531 1.416028
H -1.966919 -2.661583 -0.642925
H 4.873592 -1.609918 0.936384
H 4.442640 -3.072101 -0.002164
H 5.495116 -1.828281 -0.733215
H 1.185552 3.889203 -1.217369
H 1.584085 3.444244 1.508801
H -3.756091 1.831507 0.673274
H -4.250051 -1.959324 -1.394701
H -5.156054 0.291798 -0.737616


