%chk=000088349.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088349

0 1
 O  -0.9012000       1.006000      0.1258000    
 N   -4.289200     -0.3982000     -0.2421000    
 N    5.071200      -1.014400      0.8491000    
 C   -3.256100      0.5924000      5.8699999E-02
 C   -1.870500      6.5000001E-03 -0.1611000    
 C   0.4148000      0.6451000     -1.4000000E-03
 C    3.084800     -8.6900003E-02 -0.2575000    
 C   -5.620100      0.1829000     -6.9499999E-02
 C   -4.131400      -1.576200      0.6100000    
 C    1.412000       1.576400      0.2645000    
 C   0.7388000     -0.6483000     -0.3942000    
 C    2.751500       1.209100      0.1361000    
 C    2.078400      -1.015500     -0.5227000    
 C    4.516900     -0.4788000     -0.3956000    
 H   -3.339900      0.9709000       1.086600    
 H   -3.369900       1.466800     -0.5954000    
 H   -1.785200     -0.3216000      -1.205100    
 H   -1.707000     -0.8270000      0.5296000    
 H   -5.750000       1.050100     -0.7266000    
 H   -5.801700      0.5021000      0.9632000    
 H   -6.395600     -0.5388000     -0.3493000    
 H   -4.996200      -2.242600      0.5021000    
 H   -4.044200      -1.319100       1.672000    
 H   -3.272600      -2.185100      0.3109000    
 H    1.156800       2.586500      0.5718000    
 H   1.2900000E-02  -1.421500     -0.6193000    
 H    3.526100       1.941700      0.3471000    
 H    2.325700      -2.028600     -0.8296000    
 H    4.622700      -1.232800      -1.184900    
 H    5.116100      0.3808000     -0.7198000    
 H    5.080700     -0.2832000       1.559700    
 H    6.046100      -1.270700      0.6975000    


%chk=000088349-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088349

0 1
O -0.902701 0.899729 0.196771
N -4.349446 -0.514541 -0.067854
N 5.167017 -1.458953 0.049173
C -3.268976 0.478567 0.136361
C -1.888408 -0.163685 -0.057625
C 0.458216 0.574699 0.058261
C 3.261370 0.131156 -0.164724
C -5.614638 0.098017 -0.521150
C -4.555897 -1.398133 1.098683
C 1.366684 1.632623 0.308346
C 0.946816 -0.707700 -0.297065
C 2.752026 1.404800 0.200398
C 2.340619 -0.914928 -0.404869
C 4.764906 -0.089285 -0.321846
H -3.310350 0.960921 1.143717
H -3.379706 1.283427 -0.612184
H -1.791501 -0.546237 -1.092376
H -1.724114 -1.001665 0.650030
H -5.440509 0.675331 -1.446101
H -6.076689 0.782766 0.234810
H -6.348118 -0.696345 -0.749823
H -5.296891 -2.177424 0.845989
H -4.923357 -0.849374 2.003293
H -3.615137 -1.907367 1.369990
H 0.967769 2.612218 0.589881
H 0.262098 -1.539083 -0.491208
H 3.447404 2.229238 0.403825
H 2.738866 -1.900265 -0.669499
H 5.045030 0.052118 -1.386122
H 5.297004 0.712636 0.245818
H 4.999143 -1.696113 1.030943
H 6.096168 -1.739150 -0.273241


