%chk=000046655.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046655

0 1
 O  -0.6026000     -0.4373000      7.7999998E-03
 O    2.898500      0.2302000     -1.3600000E-02
 O   0.5633000       1.555000      4.1999999E-03
 N    4.049100     -0.6632000     -8.8000000E-03
 C   -2.988700     -0.7131000      3.8000001E-03
 C   -1.839300      0.2832000      3.1000001E-03
 C   -4.338300     -1.8300001E-02 -1.6100001E-02
 C   0.5255000      0.3321000      7.7000000E-03
 C    1.732500     -0.5687000      1.2000000E-02
 H   -2.899600      -1.377900     -0.8638000    
 H   -2.914700      -1.359100      0.8868000    
 H   -1.886700      0.9128000     -0.8931000    
 H   -1.891000      0.9191000      0.8947000    
 H   -4.447300      0.6018000     -0.9116000    
 H   -5.145500     -0.7574000     -1.4600000E-02
 H   -4.462700      0.6222000      0.8628000    
 H    1.696500      -1.204500     -0.8797000    
 H    1.712900      -1.173000      0.9258000    
 H    4.559100     -0.3040000      0.7967000    
 H    4.543100     -0.3332000     -0.8366000    


%chk=000046655-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046655

0 1
O -0.602006 -0.418989 -0.000716
O 2.968106 0.272572 -0.013435
O 0.548800 1.615868 -0.008445
N 4.138551 -0.668236 0.001471
C -3.017218 -0.718622 -0.001413
C -1.899277 0.323864 -0.004544
C -4.408297 -0.045616 -0.005896
C 0.555341 0.369631 -0.002578
C 1.762242 -0.559263 0.008152
H -2.906650 -1.371062 -0.887393
H -2.908793 -1.363671 0.890221
H -1.930732 0.969521 -0.902082
H -1.932101 0.976507 0.887904
H -4.546724 0.586902 -0.902521
H -5.210069 -0.804789 -0.003128
H -4.548485 0.595223 0.884531
H 1.722474 -1.230090 -0.872016
H 1.731893 -1.195986 0.913890
H 4.677539 -0.374636 0.836099
H 4.669506 -0.412430 -0.850599


