%chk=000000530.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000530

0 1
 O    4.791900       1.872900       1.607000    
 O   -3.606200       1.319500      -2.164900    
 O   -7.440200       2.736600      0.7849000    
 O   -5.670700       2.101600       2.056300    
 O   -8.050200      -2.932500      0.5355000    
 O   -8.355500      -1.935300      -1.479400    
 N    4.438900     -0.9340000       1.087700    
 N    5.542100      -1.763000      -1.320900    
 N    1.628300      -1.092700      0.5626000    
 N    6.594400      0.3915000      -1.570100    
 N    6.438900       2.092800      4.4799998E-02
 N   -4.422900      0.9473000     -2.6799999E-02
 N    3.457500      -1.529100       3.175900    
 N    7.853300       2.297900      -1.823300    
 C    3.837300      -2.115000      0.4067000    
 C    4.868800      -2.769100     -0.5269000    
 C    2.566100      -1.693000     -0.3347000    
 C    5.258300     -8.3999999E-02  0.3148000    
 C    5.795600     -0.4806000     -0.8677000    
 C    4.194400     -0.7887000       2.419000    
 C    5.476600       1.363600      0.7247000    
 C   0.3847000     -0.5954000      0.1778000    
 C    6.934700       1.619400      -1.066000    
 C  -0.4775000     -1.8900000E-02   1.123100    
 C  -2.7799999E-02 -0.6607000      -1.162100    
 C   -5.767900       1.412700     -0.2778000    
 C   -6.694300      0.3010000     -0.7852000    
 C   -2.119000      0.4090000     -0.5971000    
 C   -1.721900      0.4802000      0.7381000    
 C   -1.272100     -0.1615000      -1.547300    
 C   -3.415900      0.9305000     -0.9989000    
 C   -6.924100     -0.8695000      0.1792000    
 C   -6.261000       2.091100      0.9838000    
 C   -7.834800      -1.944900     -0.3728000    
 H    3.559000      -2.883300       1.140600    
 H    5.622600      -3.293000      7.3299997E-02
 H    4.397100      -3.511000      -1.179900    
 H    2.123400      -2.580600     -0.8036000    
 H    2.817900     -0.9864000      -1.135100    
 H    5.991900      -2.036500      -2.187900    
 H    1.831400      -1.083000       1.555400    
 H    4.760100      1.8100001E-02   2.906100    
 H    6.987100      5.0600000E-02  -2.440300    
 H  -0.1787000      5.0700001E-02   2.166700    
 H   0.6000000      -1.098400      -1.933300    
 H   -5.701800       2.192000      -1.047500    
 H   -7.669600      0.7367000      -1.039100    
 H   -6.288700     -9.6699998E-02  -1.725100    
 H   -2.336200      0.9443000       1.504200    
 H   -1.564900     -0.2305000      -2.591800    
 H   -4.245300      0.5454000      0.8880000    
 H    3.504000      -1.186400       4.141800    
 H   -5.965700      -1.342300      0.4203000    
 H   -7.375700     -0.4973000       1.105300    
 H    8.186000       3.215400      -1.547700    
 H    8.224900       1.905700      -2.681600    
 H   -7.750600       3.189100       1.598000    
 H   -8.654500      -3.622800      0.1882000    


%chk=000000530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000530

0 1
O 6.097098 1.431276 2.266287
O -3.931084 0.601693 -2.237765
O -7.558021 2.919429 0.408299
O -5.848917 2.368217 1.878315
O -8.270212 -2.707951 0.916657
O -8.484707 -2.023669 -1.291080
N 4.632329 -0.897878 1.123968
N 5.598323 -1.654717 -1.473168
N 1.616696 -1.280430 0.553726
N 6.803647 0.388971 -1.616003
N 6.919861 1.983273 0.158558
N -4.528845 0.913774 -0.024887
N 3.175468 -1.290758 2.926688
N 7.928326 2.455550 -1.906642
C 3.958967 -1.999546 0.367954
C 5.002918 -2.653968 -0.568751
C 2.698076 -1.527368 -0.396233
C 5.595704 -0.093822 0.433493
C 5.962150 -0.450512 -0.865869
C 4.247446 -0.683353 2.450502
C 6.211775 1.127345 1.033645
C 0.362664 -0.840926 0.177213
C 7.196401 1.619243 -1.082737
C -0.628155 -0.576612 1.178496
C -0.003216 -0.645718 -1.193865
C -5.840515 1.435848 -0.414505
C -6.850358 0.321014 -0.831706
C -2.271484 0.064881 -0.541147
C -1.909306 -0.135509 0.823332
C -1.291545 -0.205916 -1.532152
C -3.609215 0.535377 -1.001616
C -7.101308 -0.701108 0.289206
C -6.373062 2.268797 0.743821
C -8.005738 -1.833082 -0.152518
H 3.638903 -2.733328 1.131392
H 5.802973 -3.107905 0.043973
H 4.534953 -3.452413 -1.166660
H 2.408804 -2.322270 -1.121434
H 2.934037 -0.617193 -0.992722
H 5.280081 -1.634510 -2.445388
H 1.891942 -1.349737 1.560658
H 4.894599 0.028413 2.982162
H 7.269778 -0.007558 -2.434690
H -0.371383 -0.728143 2.233310
H 0.723122 -0.837882 -1.990130
H -5.717856 2.091856 -1.299483
H -7.796214 0.797871 -1.142193
H -6.425251 -0.179613 -1.717475
H -2.630150 0.034388 1.632730
H -1.577959 -0.057996 -2.579164
H -4.263037 1.023746 0.956628
H 3.028958 -1.090258 3.929658
H -6.145073 -1.143363 0.630655
H -7.557652 -0.238038 1.186035
H 8.250865 3.323520 -1.483554
H 7.933205 2.363741 -2.919430
H -7.879605 3.449323 1.187322
H -8.856702 -3.444994 0.593282


