%chk=000056552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056552

0 1
 O   0.4759000     -0.7774000      2.9800000E-02
 O   -1.537700     -0.4922000      -1.836300    
 O   -1.132000      -1.989900       1.148200    
 N    4.983800      -1.020800     -0.5770000    
 C    3.254000      0.4566000      0.4876000    
 C    3.643000       1.000400     -0.9188000    
 C    4.557800      0.4450000       1.338800    
 C    4.737700      8.9000002E-02  -1.544000    
 C    5.624100     -0.4495000      0.6442000    
 C    2.834300      -1.004100      0.2984000    
 C    3.810700      -1.730800     -0.2763000    
 C    1.495100      -1.482600      0.7241000    
 C   -1.816200     -0.2827000     -0.4490000    
 C   -3.162600     -0.8470000     -0.1755000    
 C   -3.707800      -1.982700     -0.9820000    
 C   -4.939500      -2.406500     -0.1817000    
 C   -5.306700      -1.215100      0.7013000    
 C  -0.8148000      -1.128800      0.3355000    
 C   -4.039100     -0.4305000      0.7457000    
 C   -1.646000       1.204400     -0.1698000    
 C   -1.236200       1.604300       1.085400    
 C   -1.907400       2.106500      -1.180600    
 C   -1.080600       2.966700       1.341100    
 C   -1.751500       3.468800     -0.9249000    
 C   -1.338200       3.899000      0.3359000    
 H    2.472900       1.063700      0.9544000    
 H    4.014400       2.029200     -0.8448000    
 H    2.764500       1.025200      -1.575700    
 H    4.354100      6.0800001E-02   2.345900    
 H    4.948400       1.462400       1.458800    
 H    4.399100     -0.3166000      -2.505000    
 H    5.658600      0.6524000      -1.733300    
 H    6.515400      0.1317000      0.3813000    
 H    5.945800      -1.256400       1.313600    
 H    3.797900      -2.779900     -0.5293000    
 H    1.382300      -1.320600       1.802800    
 H    1.392200      -2.555900      0.5229000    
 H   -3.990800      -1.644200      -1.984500    
 H   -3.001800      -2.814100      -1.071600    
 H   -4.690400      -3.270100      0.4488000    
 H   -5.768000      -2.710000     -0.8299000    
 H   -5.617800      -1.543700       1.697100    
 H   -6.108800     -0.6165000      0.2577000    
 H   -3.888700      0.3866000       1.435800    
 H  -0.6464000     -0.1512000      -2.026300    
 H   -1.046100      0.9033000       1.891700    
 H   -2.247600       1.801000      -2.165000    
 H  -0.7629000       3.302200       2.324000    
 H   -1.956300       4.195200      -1.706000    
 H   -1.218800       4.959800      0.5356000    


%chk=000056552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056552

0 1
O 0.465250 -1.615975 -0.755054
O -1.639688 -0.898193 -2.096467
O -0.565710 -1.470985 1.338378
N 4.898212 -0.175493 -0.597995
C 2.757913 -0.023774 0.863137
C 2.890787 1.276104 0.002456
C 4.018445 -0.099286 1.789345
C 4.186309 1.134305 -0.872972
C 5.285548 -0.189115 0.866346
C 2.803745 -1.221483 -0.082248
C 3.945872 -1.262603 -0.826839
C 1.708809 -2.240591 -0.151407
C -1.666807 -0.477227 -0.683331
C -3.048577 -0.831600 -0.158547
C -3.538679 -2.277071 -0.129577
C -4.868766 -2.184502 0.680477
C -5.316774 -0.691139 0.568004
C -0.569382 -1.250242 0.109437
C -4.027013 0.032799 0.216126
C -1.324366 1.027830 -0.541082
C -1.145624 1.613091 0.738797
C -1.204863 1.833520 -1.697008
C -0.843056 2.987141 0.855607
C -0.901857 3.209698 -1.577540
C -0.717539 3.790923 -0.302345
H 1.834141 -0.003539 1.464148
H 2.955768 2.150518 0.677382
H 1.992071 1.409165 -0.625158
H 3.949514 -0.976163 2.458275
H 4.050965 0.805081 2.426299
H 3.947305 1.162135 -1.949122
H 4.908502 1.944795 -0.666957
H 5.969050 0.663222 1.030489
H 5.853855 -1.115858 1.052821
H 4.201679 -2.033240 -1.564355
H 1.418986 -2.624246 0.843911
H 1.950736 -3.071019 -0.834346
H -3.702336 -2.634104 -1.165276
H -2.811949 -2.966508 0.340139
H -4.668862 -2.424604 1.740754
H -5.638139 -2.887284 0.316158
H -5.779537 -0.315488 1.500119
H -6.066436 -0.547388 -0.238218
H -3.930856 1.122634 0.229263
H -0.698232 -1.140848 -2.312340
H -1.244954 0.993391 1.637344
H -1.365548 1.372981 -2.676420
H -0.708046 3.430687 1.848663
H -0.815371 3.826378 -2.479474
H -0.483196 4.857571 -0.210699


