%chk=000066261.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066261

0 1
 O    2.446300      0.5694000      0.2298000    
 O   -2.458600      0.5728000      0.2419000    
 O  -8.0000004E-03  -1.778900     -0.2645000    
 O    3.381200       1.245300      -1.659800    
 O   -3.382400       1.255800      -1.650600    
 O   9.6000005E-03  -3.338300       1.306100    
 O    4.708500      0.5785000      3.1000001E-03
 O   -4.719800      0.5940000      6.0999999E-03
 O  -1.6700000E-02  -3.981300     -0.8287000    
 N    3.622700      0.8151000     -0.5313000    
 N   -3.630600      0.8251000     -0.5237000    
 N  -5.1000002E-03  -3.156700      8.8000000E-02
 C   2.6000000E-03  0.5828000      0.4115000    
 C   2.2100000E-02   1.435700       1.715500    
 C    1.245000      0.8706000     -0.4683000    
 C   -1.253000      0.8690000     -0.4508000    
 C   6.6000000E-03 -0.9056000      0.8579000    
 C   2.9600000E-02   2.946700       1.517700    
 H   0.9010000       1.169100       2.316800    
 H  -0.8512000       1.180900       2.329900    
 H    1.189200      0.2522000      -1.374600    
 H    1.239400       1.924000     -0.7758000    
 H   -1.201700      0.2543000      -1.360200    
 H   -1.246400       1.922900     -0.7568000    
 H  -0.8783000      -1.093300       1.481200    
 H   0.9034000      -1.097100       1.462400    
 H  -0.8589000       3.291100      0.9818000    
 H   3.4499999E-02   3.444700       2.493300    
 H   0.9193000       3.282100      0.9782000    


%chk=000066261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066261

0 1
O 2.425390 0.624383 0.357002
O -2.413112 0.636257 0.373601
O -0.002640 -1.729607 -0.346698
O 3.633833 1.177508 -1.620172
O -3.632563 1.196505 -1.594782
O -0.002406 -3.546254 1.190867
O 4.739828 0.607232 0.310396
O -4.727867 0.632357 0.343663
O -0.011743 -3.926991 -1.074061
N 3.733727 0.825031 -0.406607
N -3.725723 0.844433 -0.380568
N -0.005943 -3.223797 -0.034453
C 0.006169 0.581401 0.403633
C 0.012340 1.477346 1.685841
C 1.237553 0.854996 -0.502904
C -1.230079 0.860512 -0.494617
C 0.004375 -0.893964 0.884202
C 0.014840 3.000599 1.434423
H 0.904006 1.210708 2.282721
H -0.876752 1.214524 2.288202
H 1.267478 0.162018 -1.362029
H 1.244779 1.897247 -0.868308
H -1.269355 0.167138 -1.353041
H -1.234717 1.902545 -0.860683
H -0.898497 -1.109007 1.480629
H 0.910758 -1.113622 1.473573
H -0.882271 3.336746 0.883935
H 0.018180 3.531535 2.402571
H 0.910711 3.333121 0.879762


