%chk=000006219.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006219

0 1
 O   0.4361000     -0.6770000      0.5777000    
 O  -0.3218000      0.4499000      -1.287400    
 N   -4.208100      0.5011000      0.4559000    
 C    1.754600     -0.7119000      2.3200000E-02
 C    2.216900      0.7332000     -0.1721000    
 C    2.669300      -1.437300       1.022000    
 C    1.712900      -1.456100      -1.321500    
 C    2.143900       1.508900       1.150100    
 C    3.637200      0.7742000     -0.7519000    
 C    2.301400      -2.913900       1.179700    
 C    1.345800      -2.931500      -1.155700    
 C    2.651000       2.940500      0.9924000    
 C    4.141900       2.206900     -0.9062000    
 C    2.269900      -3.632400     -0.1653000    
 C    4.059600       2.977400      0.4078000    
 C  -0.5101000     -6.0300000E-02 -0.1917000    
 C   -1.836900     -0.1078000      0.5322000    
 C   -2.940400      0.5891000     -0.2582000    
 C   -4.826900     -0.8096000      0.2489000    
 C   -5.117500       1.565000      2.6100000E-02
 C   -6.116700     -0.9390000       1.041400    
 C   -5.462100       1.430500      -1.447500    
 H    1.605600       1.284800     -0.8897000    
 H    2.594400      -1.003200       2.024000    
 H    3.720100      -1.412500      0.7238000    
 H    2.708600      -1.459700      -1.779100    
 H    1.058200      -1.025400      -2.079700    
 H    1.117800       1.547800       1.531700    
 H    2.757500       1.041600       1.926600    
 H    4.361900      0.2566000     -0.1185000    
 H    3.682600      0.3169000      -1.744200    
 H    1.320700      -3.001300       1.663200    
 H    3.024100      -3.404900       1.841600    
 H    1.406200      -3.435600      -2.127300    
 H   0.3063000      -3.020700     -0.8179000    
 H    2.643400       3.444400       1.965600    
 H    1.969400       3.499300      0.3393000    
 H    5.178300       2.197800      -1.262800    
 H    3.547700       2.723900      -1.670000    
 H    1.939900      -4.667500     -2.2600001E-02
 H    3.284700      -3.675400     -0.5797000    
 H    4.765400       2.546400       1.128500    
 H    4.364300       4.017400      0.2453000    
 H   -1.710600      0.3809000       1.505700    
 H   -2.068200      -1.165500      0.6939000    
 H   -2.636100       1.638100     -0.3776000    
 H   -2.997300      0.1645000      -1.269100    
 H   -4.159900      -1.588400      0.6359000    
 H   -4.994400      -1.064600     -0.8036000    
 H   -6.027200       1.600600      0.6348000    
 H   -4.640600       2.539300      0.1957000    
 H   -5.987100     -0.6202000       2.081400    
 H   -6.942000     -0.3739000      0.5980000    
 H   -6.430700      -1.988800       1.060800    
 H   -4.588400       1.439200      -2.105100    
 H   -6.069400      0.5494000      -1.672200    
 H   -6.069700       2.294800      -1.742300    


%chk=000006219-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006219

0 1
O 0.441956 -0.568650 0.322818
O -0.321249 0.828911 -1.403575
N -4.306581 0.560064 0.185240
C 1.903436 -0.642391 -0.152127
C 2.512825 0.796251 -0.070209
C 2.510482 -1.645608 0.857153
C 1.937527 -1.231200 -1.586190
C 2.324927 1.464381 1.318950
C 4.015989 0.847690 -0.468776
C 1.876584 -3.054930 0.759843
C 1.282427 -2.629190 -1.678493
C 2.830624 2.926881 1.309628
C 4.537222 2.306939 -0.476870
C 1.933721 -3.614901 -0.680221
C 4.316202 3.000798 0.886571
C -0.516963 0.181125 -0.344622
C -1.841390 0.127591 0.408183
C -3.053471 0.247802 -0.543182
C -4.832504 -0.597181 0.953924
C -5.309264 1.262950 -0.657443
C -5.992296 -0.232188 1.899365
C -5.942109 0.442207 -1.816264
H 1.959691 1.406679 -0.813447
H 2.393390 -1.254055 1.883627
H 3.596803 -1.716316 0.652619
H 3.002309 -1.328064 -1.875748
H 1.465475 -0.523144 -2.288426
H 1.261174 1.431847 1.619277
H 2.892374 0.899126 2.086689
H 4.617792 0.256736 0.252087
H 4.175056 0.402131 -1.469048
H 0.821257 -2.993485 1.086974
H 2.395268 -3.738501 1.459914
H 1.375788 -3.009210 -2.713997
H 0.198815 -2.549170 -1.462943
H 2.693272 3.381047 2.310324
H 2.218178 3.520552 0.599817
H 5.612132 2.318359 -0.743912
H 4.004470 2.876469 -1.266226
H 1.429601 -4.599625 -0.726049
H 2.992627 -3.781554 -0.970205
H 4.939867 2.500324 1.656474
H 4.651478 4.055125 0.837448
H -1.875743 0.988581 1.105641
H -1.865105 -0.787158 1.023601
H -2.844145 1.072546 -1.247894
H -3.130830 -0.686049 -1.154886
H -3.999460 -0.990541 1.565792
H -5.150413 -1.436398 0.282525
H -6.112574 1.639391 0.002187
H -4.810279 2.157191 -1.077587
H -5.707030 0.618676 2.543534
H -6.911315 0.041255 1.350606
H -6.237621 -1.094249 2.546513
H -5.173744 0.090714 -2.528652
H -6.491078 -0.440469 -1.439585
H -6.660076 1.069888 -2.376448


