%chk=000059612.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059612

0 1
 O    2.540400     -0.2483000      -1.485700    
 O  -0.7361000      -1.668300      0.8088000    
 O   0.3192000      -1.842400      -1.231000    
 N   -4.732500     -0.4907000      1.4200000E-02
 C    2.543600     -0.4218000     -6.9600001E-02
 C    3.541100      0.5440000      0.5659000    
 C    3.146800      -1.785400      0.2578000    
 C    4.903800     -8.3499998E-02  0.2768000    
 C    4.652900      -1.581200      9.5200002E-02
 C    1.124600     -0.2558000      0.4506000    
 C   0.5646000       1.138800      0.1970000    
 C   0.2108000      -1.337800     -0.1208000    
 C   0.8459000       2.142600       1.099600    
 C  -0.2049000       1.352100     -0.9272000    
 C   -1.657600      -2.690800      0.4164000    
 C   0.3336000       3.419000      0.8675000    
 C  -0.7171000       2.628600      -1.159300    
 C   -2.856200      -2.039900     -0.2605000    
 C  -0.4479000       3.662000     -0.2619000    
 C   -3.578800      -1.082000      0.6812000    
 C   -5.484700      0.3579000      0.9401000    
 C   -4.311400      0.2831000      -1.155200    
 H    3.403900      0.6028000       1.652100    
 H    3.501400       1.552900      0.1433000    
 H    2.802800      -2.590900     -0.3988000    
 H    2.933300      -2.070800       1.295200    
 H    5.330300      0.3347000     -0.6424000    
 H    5.613700      0.1154000       1.086100    
 H    5.213700      -2.177800      0.8220000    
 H    4.977000      -1.893600     -0.9043000    
 H    1.141100     -0.4203000       1.539000    
 H    2.068700     -0.9959000      -1.889200    
 H    1.439600       1.964000       1.990300    
 H  -0.4221000      0.5796000      -1.656200    
 H   -1.968800      -3.217700       1.324800    
 H   -1.185100      -3.433800     -0.2365000    
 H   0.5404000       4.222900       1.567900    
 H   -1.323400       2.818800      -2.040300    
 H   -2.480000      -1.517600      -1.145400    
 H   -3.543200      -2.823500     -0.6023000    
 H  -0.8470000       4.655700     -0.4426000    
 H   -3.913400      -1.647700       1.560100    
 H   -2.894700     -0.3026000       1.041200    
 H   -5.828900     -0.2236000       1.802700    
 H   -4.886800       1.200000       1.307400    
 H   -6.382600      0.7568000      0.4550000    
 H   -3.982100     -0.3592000      -1.977200    
 H   -5.159800      0.8461000      -1.563500    
 H   -3.521200       1.003900     -0.9179000    


%chk=000059612-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059612

0 1
O 2.491054 -0.614465 -1.744232
O -0.621412 -1.755494 1.055813
O 0.284280 -2.131221 -1.051523
N -4.647908 -0.233590 0.041106
C 2.640969 -0.555410 -0.271118
C 3.630011 0.613517 0.006798
C 3.395608 -1.830529 0.212458
C 5.024681 -0.035082 0.278309
C 4.866270 -1.521667 -0.145317
C 1.254076 -0.379077 0.434333
C 0.543371 0.966893 0.205183
C 0.289047 -1.506517 0.045029
C -0.030938 1.640294 1.313896
C 0.412649 1.539302 -1.087172
C -1.741025 -2.710419 0.743960
C -0.716842 2.863309 1.142707
C -0.274018 2.762585 -1.257297
C -2.860792 -2.005672 -0.030105
C -0.842745 3.429053 -0.147020
C -3.490517 -0.833832 0.751023
C -5.429937 0.646515 0.935917
C -4.258629 0.475558 -1.198516
H 3.291425 1.232426 0.857376
H 3.642475 1.261728 -0.884988
H 3.005147 -2.747739 -0.263388
H 3.291602 -1.941083 1.311600
H 5.836289 0.474092 -0.270210
H 5.270091 0.021685 1.356481
H 5.584696 -2.192728 0.358426
H 5.003371 -1.621312 -1.237300
H 1.420238 -0.477902 1.522910
H 1.828416 -1.340659 -1.930709
H 0.056695 1.201580 2.315443
H 0.874027 1.034517 -1.941491
H -2.067161 -3.047035 1.741704
H -1.325666 -3.554682 0.166691
H -1.149415 3.372301 2.011548
H -0.361733 3.197925 -2.259400
H -2.458821 -1.670590 -1.002686
H -3.651920 -2.750281 -0.246752
H -1.373908 4.377863 -0.283869
H -3.860539 -1.216836 1.723106
H -2.703844 -0.070193 0.978542
H -5.769401 0.074745 1.818332
H -4.852504 1.535342 1.299075
H -6.324693 1.016222 0.403573
H -3.794971 -0.222221 -1.915818
H -5.161878 0.894121 -1.677259
H -3.538369 1.313464 -1.014767


