%chk=000010213.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010213

0 1
 O   -4.084100      -1.723300      0.8659000    
 O  -0.9291000       3.948000      0.9000000    
 O    4.113200       1.666500      0.9183000    
 O   0.8955000      -3.967400      0.7659000    
 O   -2.661800     -0.4440000       2.091600    
 O  -2.4700001E-02   2.058500       1.780000    
 O    2.680500      0.3609000       2.103600    
 O   1.4900000E-02  -2.099900       1.714100    
 N   -1.390900      0.5335000     -5.3500000E-02
 N    1.392000     -0.5269000     -6.9899999E-02
 C  -0.5064000      0.6126000      -1.218400    
 C   0.5029000     -0.5556000      -1.234000    
 C   -1.364200      0.6117000      -2.491900    
 C    1.362600     -0.5194000      -2.505800    
 C  -0.5017000      0.6372000      -3.751300    
 C   0.5016000     -0.5108000      -3.766500    
 C   -2.491000     -0.3933000     -0.3123000    
 C   -1.905200       1.859000      0.2854000    
 C    2.501700      0.3961000     -0.3000000    
 C    1.892800      -1.868900      0.2208000    
 C   -3.074300     -0.8270000       1.004100    
 C  -0.8495000       2.602100       1.056300    
 C    3.093900      0.7772000       1.028700    
 C   0.8313000      -2.626900      0.9691000    
 H   6.1500002E-02   1.552000      -1.203700    
 H  -6.5499999E-02  -1.494600      -1.252700    
 H   -1.981100     -0.2863000      -2.606400    
 H   -2.038800       1.474600      -2.527900    
 H    1.978100      0.3825000      -2.594200    
 H    2.037900      -1.380300      -2.566800    
 H   -1.140900      0.5789000      -4.639800    
 H   3.4000002E-02   1.592900      -3.807500    
 H    1.141900     -0.4279000      -4.652300    
 H  -3.3900000E-02  -1.464700      -3.849500    
 H   -3.304100      5.0799999E-02 -0.8999000    
 H   -2.152100      -1.328300     -0.7724000    
 H   -2.201500       2.441300     -0.5936000    
 H   -2.776600       1.819200      0.9494000    
 H    2.168700       1.350100     -0.7247000    
 H    3.308200     -3.4499999E-02 -0.9063000    
 H    2.766400      -1.861700      0.8830000    
 H    2.180200      -2.424100     -0.6784000    
 H   -4.440500      -2.009500       1.733800    
 H  -0.2450000       4.417900       1.422900    
 H    4.475500       1.918200       1.794400    
 H   0.2078000      -4.447700       1.274500    


%chk=000010213-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000010213

0 1
O -2.555918 -1.260036 2.483274
O -1.494538 4.516325 0.296088
O 2.558986 1.171444 2.522026
O 1.494283 -4.524667 0.136305
O -1.427018 0.759867 2.643336
O 0.440226 3.256149 0.090636
O 1.438088 -0.857211 2.613119
O -0.440698 -3.258368 -0.024990
N -1.180289 0.858145 -0.217749
N 1.179122 -0.851148 -0.249102
C -0.465996 0.652341 -1.498648
C 0.463500 -0.600639 -1.521273
C -1.381463 0.584159 -2.763407
C 1.377683 -0.487889 -2.783562
C -0.535842 0.628906 -4.059614
C 0.530175 -0.492056 -4.078865
C -1.859868 -0.273039 0.410571
C -1.807287 2.163851 -0.044824
C 1.858798 0.257737 0.417624
C 1.806611 -2.161797 -0.122366
C -1.888534 -0.158625 1.931968
C -0.807732 3.307341 0.116804
C 1.893881 0.087960 1.933680
C 0.807262 -3.310308 -0.001052
H 0.183536 1.544436 -1.622916
H -0.185728 -1.487956 -1.676912
H -1.985005 -0.345793 -2.733805
H -2.093242 1.432969 -2.758271
H 1.978646 0.442286 -2.724153
H 2.091858 -1.334395 -2.806983
H -1.192328 0.548632 -4.947475
H -0.029558 1.614268 -4.124382
H 1.184535 -0.382765 -4.965165
H 0.024278 -1.475120 -4.174214
H -2.913591 -0.434420 0.075581
H -1.312784 -1.207163 0.188821
H -2.502372 2.461909 -0.867099
H -2.410402 2.166051 0.879447
H 1.309403 1.198445 0.232195
H 2.911075 0.433015 0.084960
H 2.409675 -2.196376 0.801335
H 2.501673 -2.430685 -0.954664
H -2.515731 -1.195694 3.475697
H -0.835909 5.252048 0.421927
H 2.522984 1.070956 3.511592
H 0.835756 -5.264388 0.236606


