%chk=000114242.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114242

0 1
 O    1.606500     -0.1353000      0.9120000    
 O    4.759400      0.6830000     -0.7072000    
 O   -4.347700       1.400800     -0.3295000    
 O   -4.426900     -0.7579000     -0.7206000    
 N   0.1936000      -2.448400      0.1575000    
 N   -3.797800      0.2744000     -0.3845000    
 C   0.2847000     -5.0900001E-02  0.5908000    
 C  -0.4349000      -1.185200      0.2148000    
 C    2.514700      0.6305000      0.1231000    
 C  -0.3485000       1.191000      0.6430000    
 C    3.859400     -7.0299998E-02  9.6500002E-02
 C   -1.787500      -1.077500     -0.1089000    
 C   -2.420400      0.1644000     -5.6499999E-02
 C   -1.701000       1.298700      0.3194000    
 C    6.046400      8.2599998E-02 -0.7498000    
 H    2.146600      0.7532000     -0.9043000    
 H    2.621700       1.631400      0.5574000    
 H    3.745900      -1.081600     -0.3124000    
 H    4.250500     -0.1656000       1.116800    
 H   0.1965000       2.082000      0.9428000    
 H   -2.328800      -1.975500     -0.3992000    
 H   -2.161400       2.281900      0.3734000    
 H  -0.3335000      -3.266600     -0.1170000    
 H    1.175100      -2.531600      0.3873000    
 H    6.480700      3.4400001E-02  0.2534000    
 H    6.693000      0.6985000      -1.380600    
 H    5.987700     -0.9203000      -1.184000    


%chk=000114242-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114242

0 1
O 1.606952 -0.590409 0.001918
O 4.926833 0.921001 -0.268205
O -4.393819 1.644001 0.050447
O -4.734045 -0.603880 0.242650
N -0.084643 -2.639841 0.230133
N -3.957984 0.427606 0.130795
C 0.249901 -0.240414 0.024787
C -0.633740 -1.368580 0.149216
C 2.596689 0.492514 -0.134021
C -0.249607 1.074554 -0.062960
C 3.970548 -0.175638 -0.128688
C -2.024853 -1.126652 0.182629
C -2.501149 0.201480 0.093500
C -1.639457 1.311062 -0.028983
C 6.312599 0.453947 -0.287225
H 2.437063 1.037247 -1.083887
H 2.509291 1.198595 0.713576
H 4.056637 -0.892718 -0.973696
H 4.129854 -0.727729 0.822811
H 0.434624 1.921913 -0.158416
H -2.744798 -1.944441 0.275743
H -2.056322 2.317939 -0.094580
H -0.675713 -3.460251 0.317835
H 0.925423 -2.746219 0.199870
H 6.577749 -0.068482 0.656130
H 6.937643 1.353494 -0.395517
H 6.498326 -0.229999 -1.142163


