%chk=000054557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054557

0 1
 O   0.2717000      -1.944400      8.1900001E-02
 O    1.994000       1.785100     -0.2017000    
 O   0.1330000       2.987000      0.3665000    
 N   1.4500000E-02  0.7132000     -0.1942000    
 C   -1.812800     -0.8795000     -0.3392000    
 C  -0.8809000      -1.973300     -0.7494000    
 C   -1.344200      0.4083000     -7.9499997E-02
 C    1.192900      -2.968300     -0.2681000    
 C    2.388600      -2.895300      0.6690000    
 C   -3.172900      -1.164500     -0.2179000    
 C   -2.235600       1.411200      0.3017000    
 C   -4.064300     -0.1616000      0.1633000    
 C   -3.595700       1.126200      0.4232000    
 C    3.426300      -3.954600      0.3442000    
 C   0.6513000       1.930800      2.5400000E-02
 C    2.793800       2.959000     -1.7200001E-02
 C    4.240400       2.620600     -0.3079000    
 H  -0.5948000      -1.829500      -1.798600    
 H   -1.363900      -2.953000     -0.6514000    
 H   0.7073000      -3.947200     -0.1798000    
 H    1.518500      -2.827400      -1.305500    
 H    2.842500      -1.898700      0.6085000    
 H    2.050800      -3.009600       1.706000    
 H   -3.555000      -2.162000     -0.4185000    
 H   -1.954200       2.431300      0.5203000    
 H   -5.123400     -0.3832000      0.2574000    
 H   0.6286000     -4.4300001E-02 -0.4789000    
 H   -4.291100       1.906200      0.7198000    
 H    3.805500      -3.832800     -0.6754000    
 H    4.273800      -3.879100       1.032800    
 H    3.002900      -4.959900      0.4359000    
 H    2.695900       3.308100       1.016700    
 H    2.452500       3.744000     -0.7012000    
 H    4.351400       2.252300      -1.333100    
 H    4.590400       1.823100      0.3558000    
 H    4.881300       3.496900     -0.1759000    


%chk=000054557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054557

0 1
O 0.274414 -1.962841 0.146752
O 1.993491 1.669201 -0.094062
O 0.107986 3.082414 -0.067183
N -0.050044 0.710138 -0.081661
C -1.898038 -0.862985 -0.230854
C -0.951170 -1.954551 -0.689452
C -1.448169 0.479211 -0.017729
C 1.268012 -2.952578 -0.308151
C 2.502198 -2.829127 0.590600
C -3.275629 -1.148802 -0.103528
C -2.386650 1.504949 0.267794
C -4.213111 -0.133612 0.190997
C -3.759190 1.193319 0.364099
C 3.604665 -3.835202 0.192171
C 0.603385 1.925429 -0.078567
C 2.855592 2.881841 -0.079450
C 4.300190 2.390427 -0.094800
H -0.643634 -1.785081 -1.747673
H -1.446818 -2.944322 -0.627879
H 0.827210 -3.971241 -0.240320
H 1.530701 -2.757699 -1.372560
H 2.887922 -1.793550 0.526234
H 2.194224 -2.993043 1.640015
H -3.619101 -2.180548 -0.249162
H -2.029662 2.528237 0.402760
H -5.277314 -0.374826 0.281074
H 0.528193 -0.146802 -0.012289
H -4.474054 1.993751 0.585474
H 3.945348 -3.669714 -0.847276
H 4.483390 -3.734075 0.853259
H 3.244835 -4.878538 0.268887
H 2.621762 3.471586 0.825811
H 2.612009 3.500237 -0.962673
H 4.503884 1.794781 -1.001358
H 4.512329 1.764643 0.789230
H 4.989944 3.254075 -0.083532


