%chk=000085648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085648

0 1
 O    2.345900     -0.2814000      0.5281000    
 O   -2.346000     -0.2816000     -0.5284000    
 N   6.0000003E-04  -2.915600      1.9999999E-04
 C    1.178700      0.3731000      0.2650000    
 C   -1.178600      0.3726000     -0.2647000    
 C   1.9999999E-04 -0.3247000      1.9999999E-04
 C    1.178300       1.768000      0.2649000    
 C   -1.178700       1.767600     -0.2647000    
 C  -3.0000001E-04   2.465300       0.000000    
 C    3.178200     -0.5924000     -0.5866000    
 C   -3.178600     -0.5930000      0.5860000    
 C   3.9999999E-04  -1.757900      1.9999999E-04
 H    2.092100       2.318800      0.4712000    
 H   -2.092700       2.318000     -0.4712000    
 H  -5.0000002E-04   3.551300     -9.9999997E-05
 H    4.045100      -1.150000     -0.2214000    
 H    3.531200      0.3258000      -1.066600    
 H    2.645400      -1.213100      -1.313700    
 H   -4.045600      -1.150000      0.2203000    
 H   -2.646100      -1.214400       1.312700    
 H   -3.531300      0.3251000       1.066400    


%chk=000085648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085648

0 1
O 2.522331 0.248226 -0.064120
O -2.476724 0.248006 0.469945
N 0.103551 -2.441492 1.034489
C 1.245527 0.804044 0.016577
C -1.212277 0.804816 0.278484
C 0.028647 0.071448 0.260815
C 1.221743 2.210677 -0.110762
C -1.215395 2.211206 0.149626
C -0.001074 2.903944 -0.023167
C 2.739700 -1.142805 -0.507926
C -2.788240 -1.136439 0.061706
C 0.067552 -1.306272 0.652547
H 2.169344 2.726853 -0.283612
H -2.177638 2.728280 0.180868
H -0.011508 3.994247 -0.122616
H 3.767613 -1.147818 -0.901509
H 2.027986 -1.423610 -1.305497
H 2.654371 -1.847752 0.334169
H -3.875700 -1.134065 -0.108566
H -2.260138 -1.406171 -0.870950
H -2.531971 -1.853822 0.857296


