%chk=000076073.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076073

0 1
 S    1.111100     -0.5058000      0.9484000    
 S    4.490700      0.2353000       1.563800    
 P    3.050900      1.3000000E-02  0.2494000    
 O   -2.105300       1.464500     -0.8972000    
 O   -1.607200      -1.833100      0.4256000    
 O    2.880500       1.331600     -0.7024000    
 O    3.440200      -1.061300     -0.9205000    
 N   -2.354000      0.2094000     -0.3110000    
 C   -3.751600      2.0500001E-02  3.4299999E-02
 C   -4.339400      -1.153400     -0.7390000    
 C   -3.903800     -0.1768000       1.536900    
 C   -1.380400     -0.7342000     -8.9500003E-02
 C   3.3100002E-02 -0.3786000     -0.4996000    
 C   -1.793100       2.401600      0.1300000    
 C    2.529500       2.583700     -0.1368000    
 C    3.698900      -2.416300     -0.5923000    
 H   -4.301600      0.9252000     -0.2538000    
 H   -3.908200      -2.115200     -0.4457000    
 H   -5.419900      -1.217400     -0.5694000    
 H   -4.177200      -1.030700      -1.815600    
 H   -3.430200      0.6398000       2.092400    
 H   -3.464800      -1.114900       1.889400    
 H   -4.964400     -0.1938000       1.811200    
 H   0.3580000      -1.096400      -1.259200    
 H   0.1190000      0.6198000     -0.9287000    
 H   -1.407000       3.307600     -0.3451000    
 H   -1.029300       2.020500      0.8143000    
 H   -2.696300       2.665600      0.6880000    
 H    1.806200       2.462000      0.6729000    
 H    3.427100       3.080500      0.2395000    
 H    2.083300       3.204700     -0.9176000    
 H    4.719700      -2.515800     -0.2155000    
 H    2.990100      -2.781600      0.1545000    
 H    3.597800      -3.018500      -1.498700    


%chk=000076073-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076073

0 1
S 0.949885 1.243319 0.665870
S 4.209626 0.133329 1.851286
P 2.993612 0.264617 0.191093
O -2.582966 1.700409 -0.434802
O -1.004264 -1.543998 -0.234337
O 3.562833 1.138703 -1.195850
O 2.632415 -1.141260 -0.739426
N -2.384719 0.303482 -0.060432
C -3.640131 -0.436810 0.281663
C -4.100019 -1.333585 -0.891092
C -3.481987 -1.220838 1.604080
C -1.170140 -0.287661 -0.372715
C -0.051102 0.630887 -0.847766
C -2.520608 2.568207 0.772817
C 4.132342 2.481217 -0.955579
C 2.224958 -2.389044 -0.034779
H -4.388161 0.365679 0.426105
H -3.361443 -2.130799 -1.075494
H -5.069596 -1.801881 -0.642442
H -4.226373 -0.739790 -1.813421
H -3.167632 -0.555599 2.427958
H -2.730678 -2.018242 1.490858
H -4.450407 -1.679070 1.875719
H 0.641044 0.042925 -1.471159
H -0.412167 1.521745 -1.377706
H -2.702707 3.582815 0.384445
H -1.524947 2.505875 1.248886
H -3.307886 2.291424 1.498283
H 3.355234 3.177257 -0.588047
H 4.969631 2.430554 -0.235957
H 4.494902 2.803387 -1.942597
H 2.794153 -2.511471 0.904856
H 1.136742 -2.362783 0.144626
H 2.482955 -3.191499 -0.741945


