%chk=000051169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051169

0 1
 O    1.563600      -1.631700     -0.6004000    
 O    1.997300       1.691300      0.5418000    
 N    1.110000     -0.3509000     -0.1825000    
 C  -0.2418000     -4.0000002E-03 -0.1154000    
 C   -1.215100     -0.9664000      0.1535000    
 C  -0.6133000       1.324600     -0.3218000    
 C   -2.559600     -0.6001000      0.2162000    
 C  -0.8465000      -2.397100      0.3787000    
 C   -1.957700       1.690900     -0.2590000    
 C   -2.930800      0.7286000      9.8999999E-03
 C    2.144700      0.5314000      0.1562000    
 C    3.549200     -1.6600000E-02  2.2900000E-02
 H   8.9500003E-02   2.102200     -0.6006000    
 H   -3.331100      -1.337400      0.4222000    
 H  -0.5691000      -2.882400     -0.5620000    
 H  -4.4000000E-02  -2.494400       1.117300    
 H   -1.694700      -2.960500      0.7858000    
 H   -2.249200       2.722200     -0.4349000    
 H   -3.977900       1.013300      5.4600000E-02
 H    3.677000     -0.8865000      0.6732000    
 H    3.747900     -0.2918000      -1.016500    
 H    4.271600      0.7483000      0.3230000    
 H    1.537700      -1.512900      -1.565600    


%chk=000051169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051169

0 1
O 1.475660 -1.359534 -1.224339
O 1.919054 1.235008 1.252638
N 1.134376 -0.212773 -0.374284
C -0.271917 0.072415 -0.243977
C -1.176249 -0.931260 0.211953
C -0.721481 1.371941 -0.578431
C -2.548795 -0.585974 0.285397
C -0.693183 -2.306140 0.626403
C -2.089710 1.695981 -0.473634
C -3.007923 0.707626 -0.051508
C 2.170888 0.337167 0.398698
C 3.564748 -0.207390 0.121877
H 0.009859 2.121565 -0.896379
H -3.263718 -1.342125 0.630838
H -0.354268 -2.894922 -0.244248
H 0.175358 -2.230470 1.306188
H -1.492179 -2.864779 1.142114
H -2.434263 2.705499 -0.721123
H -4.074808 0.944754 0.025242
H 3.608375 -1.295753 0.297090
H 3.863937 -0.036532 -0.927605
H 4.268247 0.309275 0.791392
H 1.395691 -1.013480 -2.157703


