%chk=000031806.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031806

0 1
 O    4.389000       2.005000     -0.6763000    
 O   0.9679000      0.1638000       1.434300    
 O   -1.206400      0.1037000       1.836100    
 O  -0.4857000      9.7099997E-02 -0.3534000    
 O   -3.703500     -4.4199999E-02  -1.300700    
 N    4.378900      -1.515900      8.8299997E-02
 C    4.620600     -0.1306000      0.5374000    
 C    3.420000      -1.332300      -1.018400    
 C    4.794000      0.6525000     -0.7725000    
 C    3.936900     -0.1085000      -1.789600    
 C    3.376700      0.2761000       1.355200    
 C    2.054300      -1.057400     -0.3598000    
 C    2.076900      0.1848000      0.5430000    
 C    5.597200      -2.205400     -0.3274000    
 C    5.176000       2.726100      0.2653000    
 C  -0.2662000      0.1196000      0.8502000    
 C   -2.566500      5.6400001E-02   1.392100    
 C   -2.819600       1.277500      0.5532000    
 C   -2.796500      -1.221900      0.6364000    
 C   -3.376100       1.160500     -0.7244000    
 C   -3.353400      -1.201400     -0.6459000    
 C   -2.507900       2.554000       1.043700    
 C   -2.466500      -2.456400       1.214600    
 C   -3.629300       2.299400      -1.494400    
 C   -3.585700      -2.394100      -1.336700    
 C   -2.756600       3.690400      0.2731000    
 C   -2.694300      -3.646500      0.5230000    
 C   -3.319100       3.563000     -0.9948000    
 C   -3.255300      -3.615300     -0.7516000    
 H    5.504100     -5.6499999E-02   1.182100    
 H    3.335600      -2.217600      -1.658800    
 H    5.839700      0.6215000      -1.106700    
 H    4.574200     -0.4380000      -2.619500    
 H    3.130900      0.4991000      -2.214200    
 H    3.296600     -0.3887000       2.227800    
 H    3.455600       1.277600       1.787500    
 H    1.326100     -0.9522000      -1.169700    
 H    1.739300      -1.936300      0.2194000    
 H    1.992400       1.088200     -7.4299999E-02
 H    6.288400      -2.290600      0.5182000    
 H    6.127500      -1.717100      -1.151200    
 H    5.358500      -3.227700     -0.6410000    
 H    6.201700       2.815000     -0.1074000    
 H    5.197400       2.288200       1.263800    
 H    4.760000       3.734400      0.3464000    
 H   -3.222600      8.0200002E-02   2.270400    
 H   -2.078300       2.673200       2.035400    
 H   -2.036600      -2.498900       2.212300    
 H   -4.064500       2.207900      -2.486100    
 H   -4.020900      -2.377800      -2.332500    
 H   -2.514400       4.674400      0.6637000    
 H   -2.437000      -4.597500      0.9802000    
 H   -3.514300       4.447300      -1.594200    
 H   -3.434400      -4.541600      -1.289600    


%chk=000031806-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031806

0 1
O 4.119295 1.880306 -1.024711
O 1.045282 -0.148553 1.389015
O -1.136680 -0.080173 1.818462
O -0.433828 0.050122 -0.428307
O -3.443922 0.205623 -1.436437
N 4.797400 -1.513196 0.320745
C 4.758063 -0.039052 0.577389
C 3.815771 -1.644799 -0.811529
C 4.830923 0.605523 -0.867647
C 4.164520 -0.463363 -1.784368
C 3.427334 0.276125 1.307371
C 2.393592 -1.515981 -0.210937
C 2.220360 -0.129923 0.445612
C 6.143500 -2.057753 0.026887
C 4.833107 3.013697 -0.437798
C -0.198070 -0.050623 0.797530
C -2.619622 -0.004556 1.387502
C -2.924029 1.310222 0.716671
C -2.999195 -1.199898 0.551582
C -3.281395 1.361747 -0.652483
C -3.352472 -1.050442 -0.811791
C -2.832709 2.530272 1.430925
C -2.982514 -2.506303 1.099366
C -3.521536 2.587903 -1.308485
C -3.659962 -2.164469 -1.621967
C -3.071426 3.764047 0.795134
C -3.288650 -3.630296 0.307967
C -3.411882 3.788619 -0.581764
C -3.623334 -3.454447 -1.059348
H 5.610609 0.255355 1.214227
H 3.927188 -2.632357 -1.291203
H 5.896660 0.763210 -1.144616
H 4.856439 -0.794348 -2.577510
H 3.274573 -0.032345 -2.274121
H 3.415911 -0.305228 2.246120
H 3.353902 1.348186 1.562205
H 1.624680 -1.659732 -0.990924
H 2.271683 -2.299412 0.558742
H 2.016042 0.637534 -0.320702
H 6.804248 -1.869637 0.891967
H 6.639958 -1.639937 -0.882360
H 6.066271 -3.151791 -0.104647
H 5.852688 3.112913 -0.868706
H 4.919964 2.929975 0.665781
H 4.242059 3.909145 -0.686981
H -3.066950 -0.056847 2.394792
H -2.547273 2.499187 2.488994
H -2.702459 -2.631301 2.151946
H -3.786718 2.577385 -2.369590
H -3.919961 -1.999565 -2.671561
H -2.991680 4.698801 1.359261
H -3.265835 -4.633809 0.744737
H -3.595217 4.743991 -1.085286
H -3.859907 -4.323254 -1.683153


