%chk=000104163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104163

0 1
 O  -0.1545000       2.465200      -1.167000    
 N   -3.703900      -1.707400     -0.2507000    
 N    3.572300      -1.610300     -0.2133000    
 N   -1.294800       1.796400      0.7397000    
 N    1.010500       1.822000      0.7368000    
 C   -3.154200      0.6992000     -0.4637000    
 C    2.891400      0.7600000     -0.4535000    
 C   -3.206900     -0.5291000      0.4494000    
 C    3.026800     -0.4481000      0.4778000    
 C   -2.627700       1.964700      0.2106000    
 C    2.336800       2.014900      0.2178000    
 C  -0.1482000       2.064900     -3.7000000E-03
 C   -2.663600      -2.272500      -1.112000    
 C   -4.174800      -2.713400      0.7031000    
 C    5.017700      -1.469000     -0.3981000    
 C    3.273000      -2.837600      0.5267000    
 H   -4.159300      0.9055000     -0.8528000    
 H   -2.517300      0.4980000      -1.332600    
 H    2.245800      0.4898000      -1.299400    
 H    3.866500       1.027100     -0.8755000    
 H   -3.884700     -0.2757000       1.275800    
 H   -2.228100     -0.7259000      0.9050000    
 H    2.020000     -0.6865000      0.8453000    
 H    3.623000     -0.1871000       1.362100    
 H   -2.628900       2.794100     -0.5049000    
 H   -3.274500       2.242700       1.049500    
 H    2.975800       2.311100       1.056400    
 H    2.321500       2.840600     -0.5020000    
 H   -1.191500       1.462800       1.693100    
 H   0.9123000       1.484800       1.689500    
 H   -2.367900      -1.577100      -1.903000    
 H   -3.039800      -3.165400      -1.625100    
 H   -1.768000      -2.559700     -0.5487000    
 H   -4.996500      -2.316400       1.309600    
 H   -3.377400      -3.048700       1.376400    
 H   -4.572300      -3.587900      0.1759000    
 H    5.264400     -0.6166000      -1.038000    
 H    5.423000      -2.351400     -0.9071000    
 H    5.549300      -1.355200      0.5539000    
 H    2.190300      -2.982900      0.6131000    
 H    3.703100      -2.827000       1.534800    
 H    3.661900      -3.712900     -5.5000000E-03


%chk=000104163-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104163

0 1
O -0.021033 2.658862 -0.879968
N -4.396701 -1.605828 -0.318788
N 4.139663 -1.548950 -0.030827
N -1.264730 1.501371 0.734428
N 1.086332 1.568616 0.873351
C -3.207514 0.606155 -0.621335
C 3.177155 0.776132 -0.318342
C -3.618573 -0.528760 0.338551
C 3.527637 -0.378358 0.641515
C -2.560556 1.807439 0.108353
C 2.425360 1.931846 0.385972
C -0.064359 1.950099 0.174839
C -3.627092 -2.348709 -1.338217
C -5.009671 -2.517554 0.668584
C 5.458706 -1.259033 -0.629230
C 4.197587 -2.723894 0.862993
H -4.115403 0.956425 -1.149750
H -2.496338 0.244880 -1.386537
H 2.558695 0.385583 -1.146830
H 4.098209 1.200477 -0.763549
H -4.260905 -0.099248 1.134252
H -2.702242 -0.942185 0.845903
H 2.593881 -0.735848 1.120830
H 4.187395 0.016326 1.463926
H -2.363558 2.616618 -0.615340
H -3.255120 2.199357 0.879321
H 3.028659 2.314193 1.234313
H 2.276943 2.760394 -0.327351
H -1.251606 0.889345 1.550633
H 1.006307 1.021749 1.730647
H -3.290329 -1.670060 -2.138985
H -4.276232 -3.114964 -1.798267
H -2.725225 -2.865473 -0.918084
H -5.644890 -1.941069 1.365042
H -4.259346 -3.088288 1.275745
H -5.652089 -3.250819 0.148759
H 5.370240 -0.473497 -1.397906
H 5.843016 -2.168831 -1.123929
H 6.219890 -0.926863 0.124270
H 3.181946 -2.968879 1.223007
H 4.855168 -2.571564 1.758160
H 4.581319 -3.597192 0.305540


