%chk=000068290.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068290

0 1
 O   0.5371000       1.256300     -0.7027000    
 N   -1.270300     -2.4100000E-02 -1.9300001E-02
 C    2.534200     -0.4341000      0.3017000    
 C    1.043300     -0.7594000      0.5027000    
 C   9.6199997E-02  0.2579000     -0.1279000    
 C   -2.294400      0.8473000     -0.5819000    
 C   -1.771900      -1.212800      0.6661000    
 C    2.886000     -0.3191000      -1.184100    
 C    2.886400      0.8734000       1.015000    
 C   -2.736600       1.899000      0.4144000    
 C   -1.910100      -2.384300     -0.2842000    
 H    3.121500      -1.248000      0.7442000    
 H   0.8461000     -0.8034000       1.579500    
 H   0.8506000      -1.746400      7.3399998E-02
 H   -1.877300       1.349600      -1.462000    
 H   -3.145100      0.2472000     -0.9217000    
 H   -1.119700      -1.490900       1.496700    
 H   -2.745000     -0.9800000       1.114100    
 H    2.544000      0.6048000      -1.655700    
 H    3.975900     -0.3384000      -1.302400    
 H    2.484100      -1.167100      -1.748700    
 H    2.568400      0.8446000       2.062800    
 H    2.454200       1.763900      0.5528000    
 H    3.973600       1.013900       1.010900    
 H   -3.172200       1.441800       1.308600    
 H   -1.892200       2.517800      0.7359000    
 H   -3.489300       2.555300     -3.3100002E-02
 H   -2.633800      -2.163900      -1.076000    
 H  -0.9651000      -2.639200     -0.7712000    
 H   -2.263500      -3.269000      0.2548000    


%chk=000068290-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068290

0 1
O 0.417049 1.388126 -0.608918
N -1.281092 -0.059718 0.011518
C 2.574695 -0.370291 0.321141
C 1.074497 -0.683353 0.579303
C 0.066773 0.295470 -0.052829
C -2.277990 0.867383 -0.580004
C -1.800728 -1.297265 0.633589
C 2.925781 -0.393698 -1.186272
C 3.030386 0.948672 0.991017
C -2.790193 1.910380 0.436313
C -2.025013 -2.443941 -0.380041
H 3.131557 -1.201052 0.807377
H 0.901427 -0.697237 1.676627
H 0.858676 -1.708868 0.217652
H -1.791502 1.384734 -1.424004
H -3.116479 0.263760 -0.976006
H -1.114891 -1.628970 1.430871
H -2.759248 -1.049804 1.129977
H 2.419359 0.434390 -1.709848
H 4.016999 -0.282322 -1.330169
H 2.618371 -1.347857 -1.656909
H 2.803918 0.948316 2.075124
H 2.516429 1.806457 0.527853
H 4.122421 1.083911 0.874666
H -3.253866 1.427375 1.316749
H -1.953598 2.541243 0.781392
H -3.548039 2.565102 -0.032443
H -2.719934 -2.134675 -1.181341
H -1.074118 -2.745353 -0.854383
H -2.456549 -3.328219 0.124697


