%chk=000062504.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062504

0 1
 O  -0.8649000      0.6253000      0.8662000    
 O    1.694600      0.2570000       2.162200    
 O  -0.3566000      -1.616100      0.9421000    
 N   -4.128100     -0.8373000     -0.1382000    
 C   -2.248300      0.3129000      0.9897000    
 C   -3.039600       1.616800       1.014300    
 C   -2.683900     -0.5757000     -0.1791000    
 C   -4.535800       1.334300      0.9769000    
 C   -4.896700      0.4143000     -0.1908000    
 C   -4.519300      -1.724800      -1.233000    
 C    1.447700      2.7600000E-02  0.7599000    
 C  -5.1000002E-03 -0.4456000      0.8546000    
 C   -5.987600      -2.102400      -1.135800    
 C    1.629000       1.326600     -2.8999999E-02
 C    2.390800      -1.061100      0.2429000    
 C   0.8622000       1.526300      -1.153600    
 C    3.641600      -1.170600      0.8058000    
 C    2.551600       2.244700      0.4171000    
 C    1.951700      -1.889000     -0.7646000    
 C    1.027300       2.710200      -1.872700    
 C    4.501100      -2.163000      0.3348000    
 C    2.716500       3.428500     -0.3020000    
 C    2.811400      -2.881500      -1.235400    
 C    1.954300       3.661200      -1.446800    
 C    4.086100      -3.018400     -0.6856000    
 H   -2.406300     -0.2111000       1.942400    
 H   -2.754200       2.241300      0.1577000    
 H   -2.780800       2.198000       1.907100    
 H   -2.396900     -0.1004000      -1.128100    
 H   -2.187100      -1.545900     -0.1736000    
 H   -4.844100      0.8691000       1.921900    
 H   -5.087200       2.277400      0.8901000    
 H   -5.971900      0.2283000     -0.1048000    
 H   -4.727100      0.9393000      -1.140200    
 H   -4.314700      -1.277600      -2.214000    
 H   -3.936400      -2.652500      -1.172400    
 H   -6.257900      -2.424300     -0.1243000    
 H   -6.651200      -1.286900      -1.438700    
 H   -6.194700      -2.940500      -1.810900    
 H    1.230000       1.069100       2.429600    
 H   0.1554000      0.7899000      -1.522300    
 H    3.988500     -0.5099000       1.593600    
 H    3.163000       2.079700       1.298300    
 H   0.9775000      -1.784800      -1.230800    
 H   0.4387000       2.888600      -2.767800    
 H    5.494700      -2.268200      0.7608000    
 H    3.440600       4.167900      2.7700000E-02
 H    2.491300      -3.543100      -2.035000    
 H    2.084300       4.582100      -2.007800    
 H    4.756200      -3.789700      -1.053800    


%chk=000062504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062504

0 1
O -0.885786 0.148583 0.942969
O 1.410306 1.170274 1.457237
O -0.120392 -1.510023 -0.508177
N -4.447780 -0.280408 -0.244157
C -2.278679 -0.421202 0.923136
C -2.922398 -0.061659 2.264323
C -3.044505 0.197746 -0.261113
C -4.414345 -0.473833 2.236413
C -5.132107 0.125342 1.008992
C -5.173587 0.111892 -1.481415
C 1.443995 0.275073 0.298149
C 0.093465 -0.493989 0.184025
C -6.512482 -0.625754 -1.665070
C 1.653203 1.106582 -1.000144
C 2.595766 -0.730899 0.527299
C 1.195520 0.683571 -2.273270
C 3.209675 -0.817318 1.799823
C 2.371203 2.323862 -0.892536
C 3.033114 -1.583637 -0.515228
C 1.451340 1.471204 -3.419251
C 4.252340 -1.744765 2.024799
C 2.628590 3.105353 -2.039282
C 4.070063 -2.513787 -0.285708
C 2.169105 2.683027 -3.308740
C 4.685389 -2.597980 0.984898
H -2.196505 -1.513511 0.780780
H -2.838831 1.032601 2.419186
H -2.387159 -0.558569 3.093105
H -2.973203 1.314646 -0.186825
H -2.571729 -0.113924 -1.209227
H -4.498391 -1.576190 2.192158
H -4.913656 -0.135387 3.163321
H -6.173929 -0.236388 0.978963
H -5.166486 1.244023 1.106103
H -5.346277 1.219127 -1.518537
H -4.513455 -0.135574 -2.334346
H -6.358932 -1.716622 -1.591064
H -7.265031 -0.328762 -0.913037
H -6.934955 -0.397547 -2.660716
H 0.466591 1.453804 1.583950
H 0.638435 -0.253949 -2.377407
H 2.868758 -0.148412 2.593632
H 2.713262 2.644673 0.095783
H 2.569835 -1.525954 -1.504214
H 1.089338 1.134952 -4.397562
H 4.724492 -1.799778 3.012475
H 3.187813 4.042951 -1.942289
H 4.398234 -3.170313 -1.099381
H 2.367620 3.290853 -4.198701
H 5.492848 -3.318006 1.160480


