%chk=000004260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004260

0 1
 O    1.743700     -0.3844000      0.7567000    
 O   -3.424200      0.6438000     -0.8709000    
 O   -4.128300      0.3788000       1.345800    
 N    5.124900      0.9429000      0.1310000    
 C   0.1209000      -2.593700     -4.8099998E-02
 C  -0.3676000      -1.182700     -5.0799999E-02
 C   0.4822000     -0.1424000      0.3578000    
 C   -1.673400     -0.9138000     -0.4613000    
 C   0.1257000      -3.215900      -1.456500    
 C  -0.6767000      -3.489300      0.9177000    
 C   -1.312700       1.442000     -6.5099999E-02
 C  -7.0000002E-03   1.173100      0.3453000    
 C   -2.145900      0.3985000     -0.4684000    
 C    2.728000      0.6189000      0.5434000    
 C    4.080900     -5.2800000E-02  0.3710000    
 C   -1.801800       2.852800     -6.6399999E-02
 C    4.811400       1.735900      -1.057000    
 C    6.426700      0.2933000     -1.6899999E-02
 C   -4.368400      0.6069000      0.1676000    
 C   -5.738300      0.8879000     -0.3750000    
 H    1.160900      -2.629600      0.2990000    
 H   -2.335500      -1.715300     -0.7790000    
 H  -0.8855000      -3.316800      -1.865000    
 H   0.5755000      -4.214600      -1.433100    
 H   0.7090000      -2.601100      -2.151000    
 H  -0.6706000      -3.071100       1.930400    
 H  -0.2353000      -4.490800      0.9652000    
 H   -1.721000      -3.601100      0.6070000    
 H   0.6095000       2.002300      0.6831000    
 H    2.470500       1.177700     -0.3617000    
 H    2.742400       1.297800       1.404400    
 H    4.304100     -0.6234000       1.281800    
 H    4.026300     -0.7894000     -0.4423000    
 H  -0.9786000       3.568000      3.7400000E-02
 H   -2.309400       3.087600      -1.008000    
 H   -2.495300       3.013900      0.7650000    
 H    5.673500       2.352100      -1.341800    
 H    4.551600       1.115200      -1.922400    
 H    4.009000       2.455800     -0.8683000    
 H    6.674300     -0.2823000      0.8821000    
 H    6.456300     -0.3832000     -0.8789000    
 H    7.219500       1.040200     -0.1366000    
 H   -5.758100       1.881600     -0.8292000    
 H   -6.464600      0.8626000      0.4424000    
 H   -6.008900      0.1234000      -1.107400    


%chk=000004260-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004260

0 1
O 1.810217 -0.484490 -0.127496
O -3.733478 0.466927 -0.530089
O -4.066532 1.117746 1.702133
N 5.197488 1.047404 0.204477
C 0.098100 -2.727040 -0.458506
C -0.436860 -1.295315 -0.380607
C 0.436739 -0.181709 -0.206172
C -1.819549 -1.022515 -0.453341
C -0.372348 -3.453274 -1.745614
C -0.299218 -3.533590 0.808215
C -1.457971 1.405333 -0.197493
C -0.068964 1.138547 -0.123770
C -2.311819 0.291559 -0.357626
C 2.757432 0.628998 0.044644
C 4.154817 -0.002080 0.126763
C -1.989345 2.821164 -0.103997
C 5.535979 1.626498 -1.112209
C 6.402555 0.615559 0.941252
C -4.525390 0.876443 0.569306
C -5.972736 0.965065 0.136691
H 1.200288 -2.665232 -0.485901
H -2.535920 -1.839662 -0.588146
H -1.472071 -3.571380 -1.766455
H 0.072903 -4.464273 -1.799830
H -0.074391 -2.894895 -2.651343
H 0.069442 -3.040448 1.725431
H 0.126424 -4.553901 0.767323
H -1.398490 -3.625878 0.892126
H 0.611357 1.985836 0.004088
H 2.676778 1.324775 -0.815306
H 2.537639 1.186190 0.975919
H 4.201281 -0.622801 1.039352
H 4.297235 -0.688954 -0.743069
H -1.179659 3.557831 -0.239789
H -2.762483 3.012659 -0.870488
H -2.454620 2.997042 0.883609
H 6.224666 2.479272 -0.975808
H 6.024948 0.890668 -1.800339
H 4.628238 2.006291 -1.612047
H 6.121926 0.279965 1.955008
H 6.959199 -0.216481 0.440142
H 7.095408 1.469998 1.046293
H -6.078348 1.689875 -0.689095
H -6.596348 1.274861 0.987321
H -6.314824 -0.013288 -0.242558


