%chk=000093358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093358

0 1
 O   0.6951000      -1.445300     -0.6393000    
 O   -2.891700      0.6435000      0.1937000    
 O   -2.032900      -1.759800       2.333700    
 O   -1.609100      -2.441800      0.2819000    
 O    2.973500      -1.753900     -0.3894000    
 O   -3.321500       1.560800      -1.885400    
 N   -1.539300      -1.627700       1.208800    
 C  -0.8090000     -0.3582000      0.9346000    
 C   0.6446000     -0.7376000      0.6042000    
 C    1.557600      0.4595000      0.4506000    
 C   -1.561000      0.3257000     -0.2062000    
 C    2.221800      0.9498000       1.561600    
 C    1.709100       1.038000     -0.7977000    
 C    3.063300       2.053200       1.420100    
 C    2.550800       2.141300     -0.9393000    
 C    1.926700      -1.893500      -1.005700    
 C    3.227900       2.649000      0.1696000    
 C   -3.659600       1.260100     -0.7496000    
 C    1.878500      -2.613100      -2.304100    
 C   -5.024900       1.549800     -0.2421000    
 H  -0.8675000      0.2444000       1.849300    
 H    1.037000      -1.403700       1.386400    
 H   -1.596300     -0.2946000      -1.110600    
 H   -1.061500       1.267200     -0.4596000    
 H    2.097800      0.4929000       2.539000    
 H    1.175300      0.6907000      -1.677400    
 H    3.589900       2.448900       2.283600    
 H    2.673700       2.609800      -1.911500    
 H    3.881800       3.509200      5.9700001E-02
 H    1.524100      -1.939100      -3.088000    
 H    1.221200      -3.482400      -2.221700    
 H    2.880500      -2.960100      -2.572700    
 H   -5.613700       2.041800      -1.021900    
 H   -5.524000      0.6168000      3.1700000E-02
 H   -4.965400       2.218400      0.6205000    


%chk=000093358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093358

0 1
O 0.814221 -1.403704 -0.837652
O -2.751034 0.780033 0.151089
O -1.027255 -2.259782 2.189223
O -2.247668 -2.259917 0.264056
O 2.699822 -2.558574 -0.080029
O -3.434077 1.367591 -1.996253
N -1.403769 -1.739176 1.073483
C -0.734958 -0.385479 0.713454
C 0.768579 -0.661097 0.449476
C 1.596070 0.617216 0.395529
C -1.471533 0.297802 -0.428300
C 2.123119 1.141481 1.601311
C 1.831365 1.300021 -0.822841
C 2.865760 2.342336 1.592566
C 2.580228 2.497532 -0.831757
C 1.860030 -2.350475 -0.976325
C 3.094443 3.024923 0.375148
C -3.685043 1.276492 -0.775707
C 1.762978 -3.027482 -2.321833
C -4.975557 1.638987 -0.078688
H -0.817848 0.207793 1.640525
H 1.151832 -1.317961 1.252521
H -1.673373 -0.390872 -1.263097
H -0.891318 1.160262 -0.797124
H 1.968242 0.602420 2.544355
H 1.446833 0.883129 -1.760243
H 3.274354 2.737295 2.528952
H 2.763266 3.017271 -1.778576
H 3.675555 3.953493 0.366283
H 1.810291 -2.278831 -3.131397
H 0.793548 -3.547589 -2.412773
H 2.583760 -3.749870 -2.433018
H -5.598064 2.251903 -0.746208
H -5.525337 0.715631 0.178774
H -4.774663 2.177199 0.861875


