%chk=000056345.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056345

0 1
 O   -4.146500      0.6612000      -1.553900    
 O   -4.409300     -0.9319000       1.672900    
 N   0.9073000      -1.160000     -0.1439000    
 C   -3.763900      0.4935000     -0.1865000    
 C   -2.273200      0.7272000     -5.9400000E-02
 C   -1.363300     -0.3512000     -0.1328000    
 C   -4.203600     -0.9094000      0.2621000    
 C   2.6600000E-02 -0.1351000     -7.4500002E-02
 C   0.4832000       1.188500      6.5499999E-02
 C    1.862500       1.413900      0.1281000    
 C   -1.789600       2.029700      7.4400000E-02
 C   -1.902500      -1.716700     -0.2709000    
 C   -3.200700      -1.974300     -6.4300001E-02
 C  -0.4210000       2.257600      0.1403000    
 C    2.764200      0.3496000      5.4200001E-02
 C    2.234600     -0.9412000     -8.3499998E-02
 C    2.386100       2.816000      0.2772000    
 C    4.154900      0.5477000      0.1143000    
 C    3.123900      -2.010000     -0.1579000    
 C    5.023700     -0.5367000      3.7599999E-02
 C    4.506500      -1.818500     -9.8700002E-02
 H   -4.304200       1.244300      0.4028000    
 H   -5.158100      -1.166100     -0.2114000    
 H   -2.475400       2.871100      0.1263000    
 H   -1.224600      -2.531200     -0.5022000    
 H   -3.553800      -2.999700     -0.1283000    
 H  -0.1176000       3.290500      0.2731000    
 H    1.786100       3.548000     -0.2712000    
 H    2.420600       3.096800       1.334600    
 H    3.374100       2.969800     -0.1618000    
 H   -3.517100      0.1735000      -2.112300    
 H    4.619000       1.518100      0.2485000    
 H    2.742600      -3.023900     -0.2646000    
 H   -3.594400     -0.6222000       2.104300    
 H    6.097200     -0.3833000      9.0599999E-02
 H    5.175000      -2.672300     -0.1579000    


%chk=000056345-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056345

0 1
O -4.180317 0.711933 -1.605920
O -4.532445 -0.972712 1.709728
N 0.890668 -1.154414 -0.130472
C -3.777659 0.467727 -0.192494
C -2.289256 0.734600 -0.035194
C -1.384019 -0.340621 -0.096038
C -4.222337 -0.948428 0.251585
C 0.046924 -0.082039 -0.052225
C 0.527064 1.290197 0.077314
C 1.937013 1.533196 0.127079
C -1.808670 2.076397 0.093529
C -1.880982 -1.720915 -0.210720
C -3.208635 -2.023337 -0.076290
C -0.445400 2.350241 0.150511
C 2.821722 0.412409 0.048835
C 2.238805 -0.923947 -0.083749
C 2.440461 2.957884 0.262485
C 4.260325 0.513425 0.092407
C 3.105376 -2.069972 -0.170192
C 5.067998 -0.616792 0.008085
C 4.487004 -1.924497 -0.125810
H -4.378720 1.198658 0.373365
H -5.199002 -1.144513 -0.221728
H -2.538054 2.893388 0.133034
H -1.124649 -2.495658 -0.366931
H -3.559694 -3.059705 -0.126647
H -0.108986 3.386270 0.251578
H 2.058654 3.592168 -0.558908
H 2.093479 3.410791 1.210356
H 3.537039 3.025945 0.246782
H -3.584077 0.179357 -2.194779
H 4.734584 1.493852 0.195674
H 2.625799 -3.048432 -0.270007
H -3.677916 -1.074454 2.204237
H 6.157976 -0.512563 0.043891
H 5.139228 -2.802138 -0.191572


