%chk=000052030.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052030

1 1
 O    3.441000     -0.7747000     -0.5915000    
 O    2.008200       2.307600      0.1694000    
 O    1.920400      -2.276300      0.2046000    
 N   -3.315600       0.000000     -0.1572000    
 N    1.597400      1.6600000E-02  0.3969000    
 C   -2.185500      6.5200001E-02  0.8601000    
 C  -0.8521000      2.3800001E-02  0.1249000    
 C   -4.653200      7.9400003E-02  0.5645000    
 C   -3.192600       1.166300      -1.127200    
 C   -3.231200      -1.310600     -0.9261000    
 C   0.3346000      3.6899999E-02   1.082900    
 C    2.303600       1.132300      1.6500000E-02
 C    2.270300      -1.117000      2.8200001E-02
 C    3.554600      0.6506000     -0.6460000    
 H   -2.297600     -0.7861000       1.541600    
 H   -2.298400      0.9951000       1.429700    
 H  -0.7509000     -0.8734000     -0.4926000    
 H  -0.7323000      0.8864000     -0.5385000    
 H   -4.696000       1.027500       1.108600    
 H   -5.455900      2.9500000E-02 -0.1772000    
 H   -4.721600     -0.7645000       1.257400    
 H   -2.362500       1.000200      -1.818300    
 H   -4.119100       1.219400      -1.708400    
 H   -3.060900       2.089300     -0.5549000    
 H   -2.400300      -1.284500      -1.634900    
 H   -3.123800      -2.132700     -0.2124000    
 H   -4.161700      -1.429600      -1.491200    
 H   0.2926000      0.9373000       1.706800    
 H   0.2830000     -0.8371000       1.742600    
 H    3.595400      0.9754000      -1.688000    
 H    4.439400      0.9695000     -9.0700001E-02


%chk=000052030-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052030

1 1
O 3.374057 -0.774905 -0.864364
O 2.529216 2.265904 0.923199
O 1.405603 -2.031641 -0.598701
N -3.384909 -0.061287 -0.182122
N 1.661011 0.135798 0.342668
C -2.145464 0.173064 0.725249
C -0.800575 0.216037 -0.014251
C -4.636886 0.055666 0.690869
C -3.452220 0.987848 -1.290508
C -3.345151 -1.460206 -0.800478
C 0.362154 0.206066 1.016332
C 2.641940 1.152828 0.370864
C 2.076555 -1.008676 -0.392165
C 3.825485 0.573960 -0.410455
H -2.160140 -0.650887 1.461628
H -2.336343 1.120991 1.259777
H -0.670030 -0.671424 -0.658319
H -0.712612 1.124139 -0.635924
H -4.695425 1.074219 1.103709
H -5.526297 -0.148811 0.075610
H -4.574288 -0.677217 1.509588
H -2.604889 0.853109 -1.976925
H -4.396660 0.859805 -1.841294
H -3.415655 1.991559 -0.839881
H -2.460435 -1.558277 -1.444266
H -3.302941 -2.207868 0.006107
H -4.256626 -1.607245 -1.399766
H 0.372244 1.127432 1.626626
H 0.265746 -0.666873 1.688927
H 4.075489 1.177418 -1.297745
H 4.717347 0.451273 0.225609


