%chk=000096807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096807

0 1
 O    3.095900       1.656200       2.135400    
 O    2.591300       2.406100      4.2900000E-02
 O  -0.9507000      -3.141200      0.7734000    
 O    1.043000      -2.382700      0.2549000    
 O   -4.613300       1.753500     -0.2391000    
 O   -4.815100     -0.3241000      0.4405000    
 N    1.453800     -5.6499999E-02 -0.5297000    
 N  -0.1936000      -2.223000      0.3803000    
 N   -4.114200      0.6367000      4.0500000E-02
 C    2.426500      5.1600002E-02  0.5578000    
 C    3.681000     -0.6274000      3.8999999E-03
 C    3.580400     -0.3940000      -1.496100    
 C    2.083800     -0.5067000      -1.771500    
 C   8.8100001E-02  9.4099998E-02 -0.3837000    
 C    2.701800       1.494100      0.8487000    
 C  -0.7580000     -0.9551000      6.4900003E-02
 C  -0.5385000       1.331800     -0.6830000    
 C   -2.134400     -0.7775000      0.2041000    
 C   -1.915000       1.509300     -0.5439000    
 C   -2.713000      0.4547000     -0.1004000    
 H    2.074100     -0.4368000       1.473400    
 H    3.652600      -1.703600      0.2108000    
 H    4.613200     -0.2296000      0.4173000    
 H    3.935300      0.6128000      -1.746500    
 H    4.166100      -1.112300      -2.076800    
 H    1.797000      0.1240000      -2.619800    
 H    1.809300      -1.541000      -2.003600    
 H   6.2700003E-02   2.167000      -1.037000    
 H   -2.760400      -1.596900      0.5494000    
 H   -2.331100       2.482500     -0.7917000    
 H    3.282700       2.596000       2.345600    


%chk=000096807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096807

0 1
O 3.316162 0.234196 2.463283
O 1.997187 1.758607 1.300054
O -0.667859 -1.495225 2.751336
O 0.640937 -2.478635 1.160622
O -4.716147 1.373682 -1.143821
O -4.728568 0.402158 0.925990
N 1.473845 -0.180831 -0.709455
N -0.193403 -1.556832 1.551785
N -4.133803 0.752220 -0.167744
C 2.459524 -0.500358 0.344920
C 3.794123 -0.650153 -0.433212
C 3.662791 0.396611 -1.562863
C 2.157815 0.383065 -1.918973
C 0.099889 -0.127529 -0.579716
C 2.529832 0.632888 1.382041
C -0.683872 -0.602953 0.546184
C -0.664239 0.512409 -1.624521
C -2.045998 -0.270949 0.696632
C -2.023854 0.788318 -1.506756
C -2.708174 0.430632 -0.317834
H 2.211406 -1.438872 0.868283
H 3.845120 -1.673160 -0.845521
H 4.668509 -0.494165 0.216883
H 3.953625 1.396338 -1.195985
H 4.290026 0.157938 -2.436689
H 1.791702 1.404399 -2.127619
H 1.941925 -0.255916 -2.796555
H -0.159246 0.817026 -2.541672
H -2.588870 -0.603594 1.585270
H -2.572447 1.291110 -2.307425
H 3.353364 0.959575 3.144081


