%chk=000006526.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006526

0 1
 O  -0.6780000      4.6700001E-02 -0.8438000    
 O   -1.411000     -0.7810000       1.175400    
 N   -2.850800     -0.4566000     -0.5877000    
 C   0.6570000      0.1251000     -0.3233000    
 C   0.6226000       1.081500      0.8874000    
 C    1.101200      -1.311700      2.0000000E-02
 C    1.545000      0.6773000      -1.446100    
 C   8.8799998E-02   2.477500      0.6027000    
 C    2.545200      -1.431100      0.4956000    
 C   -1.619900     -0.4276000      1.9700000E-02
 H   9.2200004E-02  0.6818000       1.754000    
 H    1.652800       1.210000       1.246400    
 H   0.9660000      -1.952500     -0.8620000    
 H   0.4937000      -1.778200      0.7979000    
 H    1.635500     -4.7300000E-02  -2.263900    
 H    2.549500      0.9312000      -1.094300    
 H    1.102800       1.572900      -1.896600    
 H  -0.9421000       2.449700      0.2382000    
 H   9.9399999E-02   3.074000       1.521300    
 H   0.7037000       3.004200     -0.1327000    
 H    2.721300     -0.8421000       1.400000    
 H    2.770200      -2.476200      0.7344000    
 H    3.255400      -1.115400     -0.2736000    
 H   -2.973300     -0.1528000      -1.547700    
 H   -3.675600     -0.7821000     -9.4999999E-02


%chk=000006526-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006526

0 1
O -0.719132 0.001697 -0.819951
O -1.697752 -0.765659 1.210362
N -2.936526 -0.430545 -0.746225
C 0.700270 0.112143 -0.272128
C 0.733112 1.089975 0.933322
C 1.168344 -1.318080 0.114240
C 1.456507 0.657820 -1.497224
C 0.118899 2.481247 0.670091
C 2.659930 -1.424581 0.505061
C -1.770752 -0.431191 -0.001327
H 0.212387 0.610931 1.780815
H 1.794727 1.209206 1.225110
H 0.969252 -1.979742 -0.751808
H 0.539984 -1.674574 0.949485
H 1.472909 -0.092129 -2.307163
H 2.496925 0.910775 -1.228847
H 0.966162 1.567349 -1.881478
H -0.932254 2.397506 0.341429
H 0.134135 3.084432 1.595858
H 0.672697 3.043213 -0.103633
H 2.899239 -0.803354 1.386926
H 2.905759 -2.470389 0.764215
H 3.328875 -1.121823 -0.320564
H -2.923920 -0.151289 -1.723881
H -3.798177 -0.725638 -0.296386


