%chk=000064889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064889

0 1
 O  -0.6664000       2.870900       1.142100    
 O    1.041700      0.7413000      -1.725200    
 O    3.067100     -0.8463000      -2.278600    
 N   0.1598000      0.3720000      0.3877000    
 N   -2.104600       2.863200     -0.6816000    
 C   -1.193400      0.7585000      7.6700002E-02
 C   -2.218400      4.3900002E-02  0.9648000    
 C   -2.497600      -1.368900      0.5133000    
 C   -1.286700       2.268000      0.2689000    
 C    1.178700      0.3965000     -0.5544000    
 C   -3.516100      -1.602600     -0.3974000    
 C   -1.730200      -2.407700       1.016800    
 C   -2.326500       4.289400     -0.7564000    
 C    2.512300     -5.7300001E-02 -8.2800001E-02
 C   -3.774000      -2.908300     -0.8150000    
 C   -1.988100      -3.713300      0.5991000    
 C   -3.010100      -3.963500     -0.3168000    
 C    3.387100     -0.6544000     -0.9677000    
 C   -1.560100       5.027500      0.3218000    
 C    2.832100      0.1375000       1.246400    
 C    4.634100      -1.074500     -0.5047000    
 C    4.079100     -0.2828000       1.709200    
 C    4.979900     -0.8887000      0.8338000    
 H   -1.377300      0.5253000     -0.9799000    
 H   -1.891600      4.0300000E-02   2.013700    
 H   -3.166100      0.5998000      0.9669000    
 H   0.3393000      4.9500000E-02   1.332500    
 H   -2.582600       2.281600      -1.363300    
 H   -4.114600     -0.7872000     -0.7932000    
 H  -0.9324000      -2.223900       1.730600    
 H   -3.402600       4.461900     -0.6582000    
 H   -2.016300       4.620200      -1.752300    
 H   -4.569100      -3.103200      -1.528700    
 H   -1.393200      -4.535100      0.9868000    
 H   -3.210600      -4.980100     -0.6422000    
 H   -1.769000       6.099400      0.2119000    
 H  -0.4743000       4.935200      0.2142000    
 H   -1.892800       4.773300       1.333400    
 H    2.175800      0.6376000       1.951100    
 H    5.346100      -1.547900      -1.175500    
 H    4.352500     -0.1306000       2.749400    
 H    5.951600      -1.214000       1.193800    
 H    3.813200      -1.279400      -2.727700    


%chk=000064889-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064889

0 1
O -2.243114 2.571505 1.992215
O 0.487361 1.484077 -1.493143
O 2.053893 -0.822940 -2.615214
N -0.180321 0.338322 0.415009
N -1.167177 3.224558 0.016461
C -1.578203 0.823376 0.354366
C -2.511403 -0.101147 1.170775
C -2.405930 -1.571433 0.789554
C -1.695869 2.293306 0.878766
C 0.753609 0.665726 -0.549032
C -2.760803 -2.017844 -0.510951
C -1.950832 -2.530520 1.730205
C -1.152183 4.666908 0.311100
C 2.106664 0.032578 -0.361498
C -2.660707 -3.381359 -0.861162
C -1.848350 -3.898539 1.384201
C -2.202334 -4.328336 0.085749
C 2.761807 -0.653757 -1.420853
C -2.014231 5.475818 -0.681229
C 2.782800 0.170413 0.877023
C 4.065456 -1.175685 -1.237360
C 4.083219 -0.346662 1.066338
C 4.723875 -1.018460 0.000872
H -1.865691 0.824604 -0.715960
H -2.297599 0.048127 2.244323
H -3.542006 0.268956 1.019713
H 0.040980 -0.401638 1.086010
H -0.667984 2.859815 -0.814004
H -3.119882 -1.293768 -1.253288
H -1.690489 -2.206013 2.746000
H -0.106128 5.030522 0.287271
H -1.531103 4.787903 1.340500
H -2.940924 -3.707150 -1.869306
H -1.497909 -4.624481 2.126704
H -2.126258 -5.387254 -0.185434
H -1.970581 6.553135 -0.436332
H -3.068176 5.150727 -0.633530
H -1.658598 5.346732 -1.719963
H 2.291554 0.718899 1.689074
H 4.560439 -1.708899 -2.059554
H 4.591770 -0.218000 2.026745
H 5.733931 -1.421791 0.130384
H 2.603126 -1.297235 -3.288242


