%chk=000036179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036179

0 1
 O   -1.418200     -0.8486000     -0.5345000    
 O  -0.3414000     -0.2862000       1.403100    
 N   -4.435500      0.5113000      0.4363000    
 N   0.7767000     -0.3896000     -0.6509000    
 C   -2.633100     -0.9921000      0.1879000    
 C   -3.773100      -1.357700     -0.7594000    
 C   -3.024300      0.3541000      0.7952000    
 C   -4.566600     -6.8300001E-02 -0.8992000    
 C   -4.873600       1.897800      0.4886000    
 C  -0.3116000     -0.4837000      0.1946000    
 C    2.107200     -4.3800000E-02 -0.3220000    
 C    2.496200       1.287800     -0.3603000    
 C    3.004200      -1.041000      3.4200002E-02
 C    3.809200       1.629100     -3.5700001E-02
 C    4.317100     -0.6996000      0.3587000    
 C    1.544200       2.375100     -0.7412000    
 C    2.603200      -2.480000      8.0700003E-02
 C    4.719600      0.6355000      0.3239000    
 H   -2.517700      -1.777100      0.9454000    
 H   -4.405000      -2.125600     -0.2957000    
 H   -3.427600      -1.730100      -1.728700    
 H   -2.912400      0.3467000       1.884600    
 H   -2.418100       1.174800      0.3902000    
 H   -5.609700     -0.2646000      -1.165700    
 H   -4.116900      0.5715000      -1.669200    
 H   -4.310400       2.541400     -0.1969000    
 H   -4.761700       2.295400       1.503200    
 H   -5.936000       1.971600      0.2320000    
 H   0.6140000     -0.5900000      -1.634400    
 H    4.139700       2.664200     -5.6800000E-02
 H    5.039300      -1.460700      0.6418000    
 H   0.7434000       2.458400      8.9999998E-04
 H    1.106400       2.176800      -1.725300    
 H    2.040700       3.349700     -0.8003000    
 H    3.455700      -3.134200      0.2935000    
 H    1.859100      -2.643400      0.8671000    
 H    2.188000      -2.796000     -0.8822000    
 H    5.741800      0.9013000      0.5770000    


%chk=000036179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036179

0 1
O -1.440517 -0.740938 -0.133924
O -0.194784 0.291879 1.585667
N -4.583885 0.701396 0.103940
N 0.776783 -0.414199 -0.458932
C -2.664439 -0.623059 0.720421
C -3.751601 -1.493691 0.052134
C -3.220781 0.828521 0.684047
C -4.557305 -0.482342 -0.789923
C -5.126377 1.936133 -0.475866
C -0.257634 -0.226874 0.443909
C 2.158524 -0.087059 -0.236775
C 2.551235 1.242018 0.096789
C 3.119777 -1.126625 -0.418192
C 3.932983 1.495996 0.288261
C 4.488746 -0.822414 -0.238259
C 1.547056 2.369287 0.220020
C 2.680815 -2.533905 -0.784271
C 4.896789 0.479522 0.125424
H -2.388135 -0.946254 1.736752
H -4.401515 -1.926405 0.832159
H -3.305178 -2.310564 -0.537515
H -3.257944 1.292933 1.684731
H -2.543488 1.447816 0.045756
H -5.583478 -0.822481 -1.015888
H -4.034197 -0.278978 -1.759225
H -4.521295 2.323624 -1.335583
H -5.164665 2.726981 0.294906
H -6.157532 1.761899 -0.832309
H 0.536678 -0.975989 -1.278913
H 4.249460 2.511959 0.551759
H 5.234104 -1.615300 -0.370723
H 0.984127 2.292481 1.167775
H 0.801170 2.332713 -0.595924
H 2.052884 3.349036 0.185136
H 3.534313 -3.231257 -0.748432
H 1.903270 -2.907131 -0.092090
H 2.259286 -2.589744 -1.808716
H 5.959551 0.701213 0.272373


