%chk=000097136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097136

0 1
 O   -1.586900      -2.726300     -1.7700000E-02
 O   -3.768200       1.424400      0.2307000    
 N   0.9282000      -1.142900     -0.2872000    
 N   0.9704000       1.086100     -0.2857000    
 N   -1.454700       1.410500     -2.0600000E-02
 N   -2.705500     -0.6594000      0.1097000    
 C    3.227000     -1.8600000E-02 -0.5338000    
 C    3.963900      -1.088300      0.2988000    
 C    3.976600       1.039100      0.3031000    
 C    5.061200     -3.1700000E-02  0.5437000    
 C    1.696100     -9.9999998E-03 -0.3673000    
 C  -0.3675000     -0.7363000     -0.1456000    
 C  -0.3133000      0.6308000     -0.1475000    
 C   -1.566800      -1.498800     -1.6899999E-02
 C   -2.718100      0.7823000      0.1147000    
 C   -1.346000       2.864200     -2.7500000E-02
 C   -3.996300      -1.325100      0.2491000    
 H    3.524000     -1.7400000E-02  -1.590500    
 H    4.284900      -1.978800     -0.2484000    
 H    3.455700      -1.401700       1.218900    
 H    3.467700       1.354600       1.222000    
 H    4.307900       1.927900     -0.2407000    
 H    5.514200     -3.6300000E-02   1.538100    
 H    5.854500     -3.4899998E-02 -0.2127000    
 H    1.259400      -2.097900     -0.3269000    
 H  -0.9016000       3.182900     -0.9754000    
 H   -2.323700       3.340400      8.1400000E-02
 H  -0.7064000       3.176900      0.8036000    
 H   -3.914500      -2.414200      0.2383000    
 H   -4.453600      -1.006300       1.191300    
 H   -4.645500      -1.003300     -0.5715000    


%chk=000097136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097136

0 1
O -1.934424 -2.662948 -1.025221
O -3.693956 1.400800 0.618330
N 0.848325 -1.370629 -0.529050
N 1.070565 0.730085 0.308347
N -1.357251 1.204826 0.514622
N -2.798420 -0.607049 -0.194917
C 3.220699 -0.514398 -0.194597
C 4.045911 -0.194705 1.113325
C 4.048877 0.618787 -0.916936
C 5.116798 0.526691 0.225727
C 1.738065 -0.377058 -0.136915
C -0.448342 -0.888823 -0.327545
C -0.273137 0.404879 0.186512
C -1.727714 -1.499026 -0.561096
C -2.673814 0.712262 0.331108
C -1.153191 2.561197 1.057600
C -4.187277 -1.089694 -0.371785
H 3.493104 -1.509273 -0.593111
H 4.368208 -1.056576 1.719880
H 3.490271 0.517557 1.745592
H 3.495499 1.572192 -0.886417
H 4.373408 0.413220 -1.950073
H 5.526933 1.475270 0.606040
H 5.953199 -0.143064 -0.041475
H 1.074574 -2.293696 -0.899423
H -0.586866 3.175577 0.337809
H -2.145428 3.000504 1.235289
H -0.584897 2.509761 2.001536
H -4.128833 -2.110443 -0.777310
H -4.714880 -1.086173 0.595913
H -4.732909 -0.428153 -1.064259


