%chk=000083090.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083090

0 1
 O    1.807100      0.6178000     -4.2800002E-02
 N   0.5922000       1.310600     -6.8800002E-02
 N    5.260100       1.799800     -0.3994000    
 C   -2.801100      -1.101100      -1.194700    
 C   -1.444200      -1.559800      -1.715500    
 C   -2.862300      0.2198000     -0.4596000    
 C  -0.5450000      -1.947200     -0.5786000    
 C   -1.777800      0.9206000      9.8099999E-02
 C  -4.8599999E-02 -0.9767000      0.2949000    
 C  -0.3660000      0.4500000      8.6599998E-02
 C   -4.151900      0.7801000     -0.3265000    
 C  -0.1955000      -3.287500     -0.3656000    
 C   -1.998900       2.157500      0.7358000    
 C   0.7955000      -1.327500       1.354600    
 C   -4.360700       2.002000      0.3119000    
 C   0.6388000      -3.643600      0.6957000    
 C   -3.281000       2.693700      0.8402000    
 C    1.134200      -2.664200       1.554300    
 C    2.850600       1.565300     -0.2133000    
 C    4.191200      0.8511000     -0.1908000    
 C    6.563200       1.139300     -0.4164000    
 H   -3.226900      -1.872400     -0.5387000    
 H   -3.462500      -1.026000      -2.068900    
 H  -0.9657000     -0.7862000      -2.329100    
 H   -1.592600      -2.421800      -2.378100    
 H   -5.015300      0.2571000     -0.7348000    
 H  -0.5718000      -4.066200      -1.024400    
 H   -1.176400       2.714800       1.179400    
 H    1.169600     -0.5838000       2.054000    
 H   -5.364000       2.409100      0.3937000    
 H   0.9015000      -4.685800      0.8523000    
 H   -3.433800       3.645300       1.340300    
 H    1.779600      -2.943400       2.382000    
 H    2.711500       2.082500      -1.171100    
 H    2.799600       2.305900      0.5948000    
 H    4.305000      0.3267000      0.7664000    
 H    4.193900      7.9400003E-02 -0.9708000    
 H    5.249700       2.503600      0.3383000    
 H    6.771200      0.6409000      0.5359000    
 H    7.346100       1.884900     -0.5862000    
 H    6.623900      0.4062000      -1.227200    


%chk=000083090-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083090

0 1
O 1.966143 0.584483 0.038264
N 0.631528 1.167872 -0.050193
N 5.360500 2.055806 -0.353745
C -2.889472 -1.115817 -1.217146
C -1.535056 -1.680111 -1.711305
C -2.867849 0.221428 -0.471412
C -0.674534 -2.153548 -0.555484
C -1.713740 0.853977 0.088932
C -0.106570 -1.195781 0.328340
C -0.331772 0.265561 0.089249
C -4.119395 0.886371 -0.359641
C -0.456407 -3.530721 -0.311726
C -1.864134 2.126646 0.718760
C 0.672194 -1.628206 1.431438
C -4.257026 2.137110 0.271645
C 0.309103 -3.960333 0.795253
C -3.111787 2.767478 0.811472
C 0.872293 -3.003983 1.671473
C 2.941485 1.659011 -0.253998
C 4.330562 1.017159 -0.153009
C 6.737311 1.543785 -0.480279
H -3.366386 -1.878099 -0.566248
H -3.560695 -0.998793 -2.090551
H -1.006755 -0.903068 -2.297678
H -1.735286 -2.523865 -2.397068
H -5.004308 0.403862 -0.794232
H -0.889446 -4.269318 -0.997375
H -0.971188 2.595777 1.141825
H 1.118774 -0.883578 2.096979
H -5.240620 2.615199 0.338943
H 0.467879 -5.030188 0.971780
H -3.193457 3.741304 1.306480
H 1.469214 -3.327877 2.531183
H 2.765487 2.064069 -1.265914
H 2.814610 2.475200 0.485966
H 4.417627 0.476368 0.821802
H 4.439005 0.259011 -0.951042
H 5.289186 2.803626 0.348690
H 7.083564 0.927650 0.385835
H 7.436775 2.389814 -0.601512
H 6.815141 0.915520 -1.386848


