%chk=000094575.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094575

0 1
 S    3.649100     -3.7900001E-02 -0.1312000    
 O    4.167700       1.316900     -0.2594000    
 O    4.206600     -0.9336000      0.8729000    
 N    3.730000     -0.8055000      -1.655700    
 N   -2.222400      0.2721000      0.6706000    
 N   -4.180700     -0.2069000     -0.2186000    
 N   -2.813800     -0.2321000     -0.3088000    
 C    1.921700      5.3199999E-02  0.1044000    
 C    1.214400       1.168100     -0.3455000    
 C    1.249000     -0.9885000      0.7432000    
 C  -0.8386000      0.1993000      0.4819000    
 C  -0.1657000       1.241200     -0.1566000    
 C  -0.1311000     -0.9155000      0.9319000    
 C   -4.895800      0.8330000      0.5009000    
 C   -4.890400     -0.9637000      -1.229900    
 H    1.716800       1.988000     -0.8511000    
 H    1.778800      -1.868800       1.096000    
 H  -0.7083000       2.113600     -0.5114000    
 H  -0.6465000      -1.732700       1.429900    
 H    4.034700     -0.2410000      -2.458200    
 H    4.059400      -1.778200      -1.682800    
 H   -4.387800       1.088200       1.434100    
 H   -5.899600      0.4746000      0.7470000    
 H   -4.968200       1.716400     -0.1391000    
 H   -5.105900     -0.3085000      -2.078300    
 H   -5.823300      -1.346200     -0.8067000    
 H   -4.279500      -1.808800      -1.560800    


%chk=000094575-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094575

0 1
S 3.737016 -0.275448 0.089218
O 4.389884 1.097785 0.677891
O 4.044819 -1.752498 0.707299
N 4.236383 -0.365400 -1.687807
N -2.282926 0.585453 -0.075636
N -4.369127 -0.210374 -0.130070
N -3.046395 -0.495515 -0.100995
C 1.879807 -0.048887 0.023017
C 1.370003 1.259912 0.023980
C 1.069488 -1.198605 0.002237
C -0.888028 0.284092 -0.042869
C -0.028779 1.417453 -0.009024
C -0.325671 -1.028049 -0.030407
C -4.875409 1.173618 -0.130594
C -5.280179 -1.358460 -0.157943
H 2.045296 2.119611 0.074082
H 1.524985 -2.193582 0.035248
H -0.483362 2.412780 -0.006324
H -0.991933 -1.894803 -0.043696
H 4.853963 0.441148 -1.881302
H 4.705157 -1.276018 -1.831101
H -4.525549 1.711616 0.768985
H -5.975870 1.144452 -0.152387
H -4.490639 1.724140 -1.008101
H -5.909500 -1.342408 -1.067524
H -5.941912 -1.360777 0.728562
H -4.670921 -2.274538 -0.156039


