%chk=000019853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019853

1 1
 O   -3.711000       2.003900       1.425500    
 O   -4.902800       1.216000     -0.9551000    
 O    4.976200     -0.5717000     -0.3628000    
 O    4.533500       2.114200     -0.9225000    
 N  -6.8700001E-02  -2.711200      0.4647000    
 C  -0.3272000      -1.512700      0.8988000    
 C  -0.9908000      -3.373000     -0.5264000    
 C   -1.561600      -2.341700      -1.491000    
 C   -1.539100     -0.7720000      0.4568000    
 C   -2.157900      -1.191900     -0.7306000    
 C   0.6448000     -0.8770000       1.866100    
 C   -2.069600      0.2961000       1.184300    
 C   -3.281100     -0.5084000      -1.206000    
 C    1.086900      -3.542100      0.9169000    
 C    1.677300     -8.6999997E-02   1.126800    
 C   -3.201100      0.9618000      0.7099000    
 C   -3.802100      0.5650000     -0.4843000    
 C    2.859700     -0.7006000      0.7206000    
 C    1.452100       1.259000      0.8483000    
 C    3.823000      3.6400001E-02  3.1599998E-02
 C    2.415300       1.995900      0.1594000    
 C    3.600600       1.384600     -0.2490000    
 C   -3.208900       3.303800       1.123300    
 C   -5.456300      0.7476000      -2.183100    
 C    4.979700      -1.180500      -1.652700    
 C    4.229200       3.485600      -1.169300    
 H   -1.772800      -3.871000      5.7799999E-02
 H  -0.4202000      -4.127100      -1.078900    
 H   -2.316700      -2.824500      -2.121900    
 H  -0.7756000      -1.953100      -2.151000    
 H    1.116600      -1.576600       2.557800    
 H   0.1236000     -0.2125000       2.560900    
 H   -1.643400      0.6293000       2.123400    
 H   -3.703600     -0.8627000      -2.140200    
 H    1.362300      -3.356800       1.952500    
 H    1.911000      -3.389100      0.2188000    
 H   0.7800000      -4.592300      0.8626000    
 H    3.073500      -1.733300      0.9699000    
 H   0.5380000       1.752500       1.165200    
 H    2.175500       3.037800     -2.2399999E-02
 H   -3.417200       3.565000      8.1000000E-02
 H   -2.132200       3.353000       1.314800    
 H   -3.712900       4.025300       1.772100    
 H   -5.828000     -0.2788000      -2.093400    
 H   -4.753300      0.8666000      -3.014600    
 H   -6.322100       1.379500      -2.407400    
 H    4.785800     -0.4358000      -2.431200    
 H    4.232100      -1.978700      -1.701500    
 H    5.968100      -1.615900      -1.823600    
 H    3.351500       3.594200      -1.815500    
 H    5.078800       3.911200      -1.713500    
 H    4.133100       4.051900     -0.2367000    


%chk=000019853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019853

1 1
O -3.622294 1.938891 2.017019
O -5.249203 1.410168 -0.318104
O 5.372479 -0.960846 0.227307
O 5.002893 1.363709 -1.444598
N -0.204854 -2.632744 -0.003391
C -0.424181 -1.469958 0.645962
C -1.214011 -3.173407 -0.974050
C -1.891904 -2.044964 -1.757626
C -1.655607 -0.722191 0.382663
C -2.424737 -1.005995 -0.792049
C 0.640257 -0.930350 1.586744
C -2.104122 0.310660 1.256459
C -3.598393 -0.283212 -1.045286
C 0.996539 -3.482507 0.185058
C 1.785807 -0.296693 0.779174
C -3.288932 1.031426 1.023192
C -4.064453 0.716820 -0.149749
C 3.089632 -0.838448 0.838488
C 1.557519 0.850046 -0.018791
C 4.165621 -0.274602 0.115936
C 2.618884 1.430717 -0.745079
C 3.921125 0.875131 -0.707337
C -4.456363 3.137681 1.754649
C -6.099626 1.111099 -1.487151
C 6.667215 -0.238107 0.213558
C 4.787171 2.544820 -2.292873
H -1.956403 -3.758076 -0.395034
H -0.685940 -3.861174 -1.653629
H -2.698691 -2.472895 -2.376912
H -1.163045 -1.580123 -2.452010
H 1.036968 -1.725525 2.240584
H 0.193850 -0.179228 2.253608
H -1.571796 0.571787 2.174096
H -4.173910 -0.508367 -1.948182
H 1.388392 -3.406813 1.208164
H 1.793496 -3.183268 -0.518236
H 0.718079 -4.531319 -0.003553
H 3.325097 -1.701528 1.471122
H 0.562416 1.305962 -0.066549
H 2.424362 2.318279 -1.353842
H -5.511968 2.859584 1.621975
H -4.092194 3.682457 0.866495
H -4.324930 3.750855 2.657960
H -6.430437 0.056998 -1.469052
H -5.566654 1.336301 -2.428755
H -6.966124 1.777204 -1.378960
H 6.652860 0.595816 0.938141
H 6.895110 0.142872 -0.792428
H 7.400962 -0.996334 0.524489
H 4.030386 2.340143 -3.073544
H 5.762040 2.737239 -2.762389
H 4.483609 3.420209 -1.688484


