%chk=000169741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169741

0 1
 O   -1.576300      0.4383000      -1.445400    
 O   -3.945600      0.9871000       1.737300    
 O    5.607400     -9.0499997E-02  0.7869000    
 O    5.181200       1.327800     -0.8336000    
 N   -4.042900     -3.6800001E-02 -0.3518000    
 N  -0.6285000     -0.8823000      0.2475000    
 N    4.804700      0.4718000      3.1999999E-03
 C   -3.001600      -1.010000     -0.1463000    
 C   -1.666100     -0.3762000     -0.5311000    
 C   -3.261100      -2.266900     -0.9624000    
 C   0.7434000     -0.5404000      0.1858000    
 C    1.634600      -1.157300       1.047800    
 C    1.165400      0.4039000     -0.7353000    
 C   -4.427700      0.8831000      0.6125000    
 C    3.428300      0.1288000      6.5099999E-02
 C    2.986800     -0.8203000      0.9870000    
 C    2.517700      0.7408000     -0.7960000    
 C   -5.519800       1.799100      0.1287000    
 H   -2.989200      -1.267700      0.9195000    
 H   -2.479500      -3.014400     -0.7903000    
 H   -3.277500      -2.047700      -2.036200    
 H   -4.226300      -2.712000     -0.6983000    
 H   -4.462600      2.2200000E-02  -1.275500    
 H  -0.8641000      -1.581600      0.9483000    
 H    1.300800      -1.897700       1.769400    
 H   0.5239000      0.9234000      -1.431400    
 H    3.667500      -1.317400       1.673400    
 H    2.826900       1.485000      -1.525900    
 H   -5.974900       2.310700      0.9813000    
 H   -5.095400       2.540800     -0.5534000    
 H   -6.295500       1.228600     -0.3901000    


%chk=000169741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169741

0 1
O -1.204862 -1.244405 -2.285513
O -2.869662 -0.016482 1.775858
O 5.069614 1.146829 1.497733
O 5.371920 0.678148 -0.716023
N -3.823985 -0.141017 -0.330133
N -0.859720 -0.707433 -0.011438
N 4.633372 0.753719 0.343816
C -3.113095 -1.391146 -0.706645
C -1.628168 -1.105604 -1.101882
C -3.856664 -2.100285 -1.845037
C 0.506981 -0.355538 0.014456
C 1.037503 0.086159 1.263170
C 1.356035 -0.426888 -1.128531
C -3.702153 0.438701 0.913860
C 3.213611 0.371694 0.231816
C 2.386328 0.449241 1.376775
C 2.708199 -0.062717 -1.014209
C -4.595281 1.629382 1.213480
H -3.098240 -2.024116 0.202550
H -3.362158 -3.056204 -2.080554
H -3.835425 -1.495316 -2.768317
H -4.902078 -2.305291 -1.555236
H -4.446881 0.273523 -1.026496
H -1.402836 -0.582621 0.872605
H 0.380725 0.142536 2.138610
H 0.943004 -0.762467 -2.080872
H 2.811136 0.790146 2.324178
H 3.380091 -0.108729 -1.875303
H -5.230864 1.390125 2.083625
H -3.969427 2.492674 1.496501
H -5.243015 1.915582 0.367855


