%chk=000076039.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076039

0 1
 O    3.208500      0.1690000      0.3993000    
 N    2.239200     -0.6232000     -0.2202000    
 C   -1.180700     -0.1572000      0.5821000    
 C  -0.2350000     -0.6162000     -0.5654000    
 C  -0.6700000       1.311400      0.5109000    
 C  -0.5635000      0.3590000      -1.721000    
 C  -0.8823000       1.678700     -0.9806000    
 C   0.8570000       1.195700      0.7418000    
 C    1.086200     -8.1000000E-02 -2.8000001E-02
 C   -2.684700     -0.3214000      0.2805000    
 C  -0.9307000     -0.8364000       1.942900    
 C  -0.2439000      -2.078300     -0.9423000    
 H   -1.154000       2.010500       1.197200    
 H   -1.423500      2.7700000E-02  -2.312800    
 H   0.2817000      0.4918000      -2.406500    
 H  -0.2290000       2.494500      -1.307800    
 H   -1.914900       1.989200      -1.171500    
 H    1.110300       1.068300       1.797200    
 H    1.412000       2.036100      0.3169000    
 H   -2.967200      -1.380300      0.2795000    
 H   -3.282800      0.1822000       1.048700    
 H   -2.996900      8.6199999E-02 -0.6835000    
 H   0.1240000     -0.9023000       2.223000    
 H   -1.448200     -0.2936000       2.741900    
 H   -1.310900      -1.864600       1.938400    
 H   5.6400001E-02  -2.709800     -9.9600002E-02
 H   -1.237400      -2.399600      -1.270600    
 H   0.4573000      -2.276400      -1.760600    
 H    4.022000     -0.3226000      0.1957000    


%chk=000076039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076039

0 1
O 3.348037 0.090350 0.419729
N 2.247199 -0.696398 -0.202860
C -1.198587 -0.138692 0.596005
C -0.214202 -0.619997 -0.560608
C -0.711477 1.358469 0.518792
C -0.583276 0.379730 -1.722630
C -0.938434 1.718697 -0.982426
C 0.826396 1.227969 0.720897
C 1.111857 -0.078278 -0.014851
C -2.697061 -0.329150 0.268698
C -0.923197 -0.821901 1.958411
C -0.227137 -2.095244 -0.958435
H -1.199783 2.045777 1.229915
H -1.443321 -0.016793 -2.292635
H 0.257603 0.490033 -2.428842
H -0.290382 2.555993 -1.296583
H -1.982112 2.023441 -1.174678
H 1.125687 1.146113 1.782000
H 1.401614 2.071075 0.297089
H -2.952373 -1.404807 0.228273
H -3.318028 0.126437 1.063371
H -2.997499 0.123436 -0.690038
H 0.145775 -0.833429 2.230912
H -1.476924 -0.307732 2.766732
H -1.268353 -1.872322 1.937394
H 0.048696 -2.743452 -0.107846
H -1.229057 -2.393266 -1.318406
H 0.501315 -2.290018 -1.765309
H 4.136023 -0.478641 0.223529


