%chk=000053216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053216

0 1
 O   0.7658000      -1.919300       1.218800    
 O   -4.459000     -0.6913000      -1.270600    
 O   -1.733400       2.345400       1.236400    
 O   -4.116900       1.772300     -5.2299999E-02
 O   0.1993000      -2.881600     -0.7943000    
 N    4.459400      1.4100000E-02 -0.6552000    
 N    3.836600       1.141500      -2.534600    
 N    3.598900       2.186100     -0.3905000    
 C    3.463700     -0.8959000       1.387800    
 C    3.091400      -2.228800      0.7370000    
 C    4.689000     -0.2507000      0.7452000    
 C    1.844600      -2.831700       1.369700    
 C   -1.068500      -1.046700      4.8799999E-02
 C   2.0600000E-02  -2.055200      8.6900003E-02
 C  -0.8933000      0.1925000      0.6645000    
 C   -2.268000      -1.339400     -0.6004000    
 C   -3.292100     -0.3930000     -0.6338000    
 C   -1.917300       1.139000      0.6310000    
 C   -3.116700      0.8463000     -1.8100001E-02
 C    3.935900       1.193000      -1.159600    
 C   -4.556700      -1.979800      -1.874200    
 C  -0.4783000       2.564300       1.877600    
 C   -5.062800       1.742700       1.014000    
 C    3.058000       3.376200      -1.034100    
 H    3.665700      -1.054800       2.453900    
 H    2.621700     -0.1963000       1.324200    
 H    3.924500      -2.934400      0.8345000    
 H    2.909800      -2.081000     -0.3335000    
 H    4.958300      0.6665000       1.281100    
 H    5.547000     -0.9266000      0.8378000    
 H    1.999300      -2.987000       2.442900    
 H    1.615100      -3.812300      0.9367000    
 H    4.696200     -0.7315000      -1.303800    
 H   6.0300000E-02  0.3851000       1.142600    
 H   -2.351500      -2.319500      -1.057700    
 H    4.125700      0.3173000      -3.050200    
 H    3.473600       1.915600      -3.079400    
 H   -5.548100      -2.044700      -2.334800    
 H   -4.500900      -2.780400      -1.128700    
 H   -3.824600      -2.105700      -2.679100    
 H  -0.5085000       3.571000       2.307500    
 H   0.3498000       2.551900       1.160400    
 H  -0.3222000       1.869500       2.709900    
 H   -5.588700      0.7830000       1.036200    
 H   -4.567600       1.921400       1.973700    
 H   -5.794200       2.537800      0.8452000    
 H    2.128600       3.155200      -1.569300    
 H    3.784200       3.829200      -1.716900    
 H    2.823300       4.119300     -0.2656000    


%chk=000053216-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053216

0 1
O 0.933524 -2.156510 1.623767
O -4.027026 -0.639350 -1.635730
O -1.489095 2.256049 1.220103
O -3.633667 1.766052 -0.557943
O 0.093236 -3.523515 -0.079889
N 3.944956 0.049024 -1.000463
N 2.772078 1.313226 -2.581280
N 2.800867 1.984321 -0.246859
C 3.636896 -0.948477 1.312033
C 3.272608 -2.387077 0.880245
C 4.559060 -0.208955 0.310552
C 2.151309 -3.006338 1.731489
C -0.938301 -1.355786 0.374425
C 0.038657 -2.455652 0.584040
C -0.759515 -0.100448 0.997927
C -2.012964 -1.572649 -0.520676
C -2.921921 -0.526017 -0.784853
C -1.646678 0.956682 0.709993
C -2.753350 0.756614 -0.171111
C 3.133141 1.169835 -1.228444
C -4.217528 -1.928774 -2.305483
C -0.326423 2.494011 2.090934
C -4.303382 2.552717 0.500683
C 2.156592 3.265715 -0.597552
H 4.139230 -0.974971 2.301162
H 2.719242 -0.345435 1.428059
H 4.163243 -3.046436 0.945187
H 2.940583 -2.400384 -0.177139
H 4.828412 0.773206 0.734966
H 5.491352 -0.786926 0.147244
H 2.396383 -2.994788 2.806911
H 1.904663 -4.031048 1.402135
H 3.800227 -0.749859 -1.619876
H 0.094857 0.036795 1.661737
H -2.106464 -2.556630 -0.987311
H 3.337088 0.908172 -3.323951
H 2.017973 1.944072 -2.834794
H -5.121400 -1.798348 -2.918340
H -4.374973 -2.745535 -1.574189
H -3.356111 -2.176928 -2.955451
H -0.363896 3.568798 2.322851
H 0.619966 2.249988 1.573565
H -0.405807 1.905744 3.025220
H -4.886371 1.882836 1.160931
H -3.570524 3.125747 1.091182
H -4.983258 3.225676 -0.043131
H 1.060432 3.159313 -0.760083
H 2.579820 3.750629 -1.508042
H 2.289258 3.970212 0.242850


