%chk=000093709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093709

0 1
 S   0.4894000     -9.7099997E-02   1.776100    
 O   0.6221000       1.186800       2.442600    
 O   0.5815000      -1.330200       2.538700    
 O   -3.553000      -2.463700     -0.2513000    
 O   -3.420200       2.320100     -0.4426000    
 O   -4.714300     -6.4000003E-02  -1.002500    
 N    4.065600     -0.2925000     -7.7600002E-02
 C    5.425600     -0.4345000      0.4610000    
 C    3.963400      0.8783000     -0.9602000    
 C    6.452000     -0.5823000     -0.6634000    
 C    4.942000      0.7736000      -2.130900    
 C    6.373500      0.5837000      -1.642100    
 C    3.091700     -0.2000000       1.009600    
 C    1.671800     -0.1822000      0.4681000    
 C   -1.070200     -8.7200001E-02  0.9435000    
 C   -1.632400       1.123100      0.5770000    
 C   -1.699500      -1.289900      0.6736000    
 C   -2.930000      -1.282100      1.6500000E-02
 C   -2.863000       1.131000     -7.9999998E-02
 C   -3.511600     -7.1699999E-02 -0.3602000    
 C   -3.251700      -3.087100      -1.498100    
 C   -4.282800       2.947100      0.5044000    
 C   -4.749900      0.5210000      -2.302100    
 H    5.689200      0.4271000       1.088700    
 H    5.483800      -1.328500       1.093800    
 H    2.975300      0.9579000      -1.421000    
 H    4.147600       1.807500     -0.4053000    
 H    6.275700      -1.523000      -1.200500    
 H    7.460500     -0.6411000     -0.2386000    
 H    4.880300       1.677400      -2.747900    
 H    4.660300     -7.1400002E-02  -2.772200    
 H    6.716000       1.500800      -1.147200    
 H    7.041300      0.4072000      -2.492400    
 H    3.201200      -1.069200       1.670700    
 H    3.274200      0.6887000       1.628200    
 H    1.461500      -1.086600     -0.1125000    
 H    1.463000      0.6975000     -0.1459000    
 H   -1.133300       2.065800      0.7815000    
 H   -1.253100      -2.238900      0.9565000    
 H   -3.829300      -4.013100      -1.566500    
 H   -3.532300      -2.437600      -2.333200    
 H   -2.186900      -3.333900      -1.555700    
 H   -5.135000       2.300900      0.7376000    
 H   -3.734100       3.190600       1.419700    
 H   -4.658100       3.874800      6.4000003E-02
 H   -5.473200     -3.8199998E-02  -2.902900    
 H   -5.093500       1.557100      -2.237900    
 H   -3.778200      0.4717000      -2.806100    


%chk=000093709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093709

0 1
S 0.594486 0.075952 1.680880
O 0.712095 1.604475 2.268551
O 0.717921 -1.240250 2.652688
O -3.404828 -2.681988 -0.221094
O -3.435799 2.238754 -0.896460
O -4.666430 -0.326318 -1.361927
N 4.371898 0.025134 -0.068184
C 5.607944 -0.745329 0.223004
C 4.671651 1.413775 -0.502472
C 6.513605 -0.808319 -1.024017
C 5.546595 1.415670 -1.772992
C 6.845741 0.611835 -1.538169
C 3.345718 -0.041036 0.997302
C 1.968057 -0.103992 0.320718
C -1.051677 -0.042748 0.744361
C -1.626005 1.151514 0.285387
C -1.646532 -1.302927 0.620316
C -2.883270 -1.394363 -0.066399
C -2.860295 1.054975 -0.389446
C -3.470927 -0.216419 -0.617909
C -4.857823 -2.894664 -0.034033
C -4.751794 2.596428 -0.309925
C -4.535880 0.069822 -2.788705
H 6.181162 -0.285645 1.070135
H 5.318046 -1.765799 0.534186
H 3.719762 1.943346 -0.694166
H 5.200459 1.975827 0.311138
H 5.985929 -1.374672 -1.815608
H 7.440129 -1.360641 -0.775273
H 5.779977 2.459600 -2.057765
H 4.972615 0.960286 -2.603017
H 7.471127 1.137402 -0.786752
H 7.439939 0.555472 -2.469424
H 3.492256 -0.955052 1.599020
H 3.388765 0.828569 1.692316
H 1.768489 -1.072668 -0.161611
H 1.775248 0.737209 -0.363391
H -1.165508 2.125591 0.474195
H -1.198191 -2.198747 1.060475
H -4.971545 -3.988334 0.007375
H -5.192434 -2.443188 0.918630
H -5.433209 -2.463951 -0.868196
H -5.488985 1.790914 -0.475846
H -4.639214 2.793441 0.772197
H -5.059503 3.516321 -0.829021
H -5.549827 -0.016375 -3.207603
H -4.168301 1.107511 -2.870000
H -3.848738 -0.622702 -3.308467


