%chk=000019085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019085

0 1
 O   -2.841500      -1.522300      0.1944000    
 O   -1.825600       2.423900      1.3600000E-02
 O   -3.380000      0.8826000      0.2277000    
 N   -2.184000       1.224500      7.4800000E-02
 C    2.553100     -1.2800000E-02 -0.4972000    
 C    3.104600      0.8299000      0.6709000    
 C    1.099300     -0.4121000     -0.3112000    
 C    2.739800      0.7315000      -1.825100    
 C   0.1412000      0.5771000     -0.2061000    
 C   0.7757000      -1.753600     -0.2517000    
 C    3.114200      7.9800002E-02   1.997300    
 C   -1.193700      0.2103000     -3.4699999E-02
 C  -0.5592000      -2.120500     -8.0700003E-02
 C   -1.543800      -1.138500      2.7799999E-02
 H    3.164400     -0.9237000     -0.5606000    
 H    2.539700       1.761900      0.7908000    
 H    4.137100       1.122500      0.4408000    
 H    2.229000       1.700300      -1.832500    
 H    3.802800      0.9186000      -2.013000    
 H    2.352700      0.1420000      -2.663900    
 H   0.4340000       1.621600     -0.2578000    
 H    1.533300      -2.527000     -0.3343000    
 H    3.588800      0.6924000       2.770700    
 H    2.100300     -0.1543000       2.335300    
 H    3.676800     -0.8556000       1.915100    
 H  -0.8250000      -3.173000     -3.2600001E-02
 H   -3.444900     -0.8273000     -0.1097000    


%chk=000019085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019085

0 1
O -2.915447 -1.607290 0.120344
O -1.867587 2.478617 0.067225
O -3.485184 0.880879 0.224571
N -2.217156 1.243584 0.086578
C 2.611032 -0.014111 -0.509442
C 3.151399 0.843667 0.672727
C 1.142972 -0.404619 -0.325126
C 2.823705 0.719003 -1.861770
C 0.140038 0.569975 -0.194744
C 0.743702 -1.776756 -0.298463
C 3.127556 0.118802 2.034708
C -1.219388 0.194775 -0.044246
C -0.596845 -2.163318 -0.151906
C -1.616616 -1.186661 -0.021097
H 3.204870 -0.951344 -0.534122
H 2.566028 1.783179 0.738390
H 4.190383 1.143950 0.430677
H 2.271896 1.677274 -1.883288
H 3.895121 0.942632 -2.017335
H 2.470605 0.107923 -2.711800
H 0.373891 1.638760 -0.204950
H 1.512051 -2.552874 -0.396333
H 3.539660 0.762188 2.833080
H 2.098417 -0.160527 2.324748
H 3.732476 -0.807388 2.003214
H -0.893485 -3.215538 -0.132589
H -3.494996 -0.766581 0.199048


