%chk=000118585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118585

0 1
 S    7.164600      0.1809000      7.8999996E-03
 O   0.8498000      -2.190000     -0.6199000    
 O    7.585500      0.5863000       1.534800    
 O    7.638300      -1.177200     -0.2164000    
 O    7.571000       1.263300     -0.8749000    
 N    1.234400      7.7299997E-02  2.3000001E-03
 N   0.4537000       1.188900      0.3114000    
 N   -7.322600      0.5272000      0.1575000    
 C  -0.9015000     -0.5897000     -0.1730000    
 C  -0.7930000      0.8165000      0.2154000    
 C    2.620300      0.1016000      3.3000000E-03
 C   0.4868000      -1.071500     -0.3108000    
 C   -2.001700      -1.312500     -0.3691000    
 C   -3.391200     -0.8321000     -0.2316000    
 C   -5.995600      6.8400003E-02  2.6100000E-02
 C    3.347000      -1.054800      0.3086000    
 C    3.306900       1.282800     -0.3006000    
 C    5.419000      0.1506000      6.0000001E-03
 C   -4.030300     -0.9547000      0.9896000    
 C   -4.023000     -0.2700000      -1.327200    
 C   -1.960400       1.708100      0.4658000    
 C   -5.342900     -0.5011000       1.119500    
 C   -5.335600      0.1839000      -1.197400    
 C    4.741700      -1.030400      0.3100000    
 C    4.701500       1.307300     -0.2993000    
 C   -8.228200     -0.1046000       1.096500    
 C   -7.794400       1.645700     -0.6347000    
 H   -1.918600      -2.358200     -0.6568000    
 H    2.865600      -1.984200      0.5961000    
 H    2.769900       2.195600     -0.5464000    
 H   -3.530700      -1.394100       1.848800    
 H   -3.519400     -0.1777000      -2.285800    
 H   -2.551300       1.840900     -0.4411000    
 H   -1.590700       2.698200      0.7547000    
 H   -2.564200       1.339400       1.295500    
 H   -5.823700     -0.5946000       2.089100    
 H   -5.819100      0.6114000      -2.071100    
 H    5.280100      -1.938200      0.5672000    
 H    5.206800       2.240100     -0.5329000    
 H   -9.272100      0.1195000      0.8499000    
 H   -8.045500      0.2558000       2.114200    
 H   -8.128300      -1.195900       1.078400    
 H   -8.695600       2.088600     -0.1961000    
 H   -8.047200       1.322700      -1.650000    
 H   -7.045200       2.443800     -0.6879000    
 H    7.301000     -4.7899999E-02   2.234300    


%chk=000118585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118585

0 1
S 7.403019 -0.382989 0.060880
O 0.520669 -1.871571 0.669071
O 7.660040 0.154753 1.829052
O 7.818139 -1.944140 -0.049106
O 8.100284 0.716310 -0.902621
N 1.386683 0.252312 -0.052355
N 0.848633 1.507943 -0.461026
N -7.778000 0.084981 0.188792
C -0.914249 0.077638 0.043977
C -0.488801 1.407205 -0.406234
C 2.791046 0.090766 -0.016278
C 0.361249 -0.677984 0.274202
C -2.092306 -0.617628 0.300299
C -3.511037 -0.348406 0.236714
C -6.398086 -0.060295 0.203594
C 3.365673 -1.151708 0.378449
C 3.622047 1.185372 -0.386953
C 5.555372 -0.189963 0.041615
C -4.388866 -1.414323 0.630202
C -4.140913 0.868985 -0.178022
C -1.279308 2.625037 -0.798540
C -5.779323 -1.288075 0.619414
C -5.529774 1.013649 -0.196976
C 4.765381 -1.291136 0.411360
C 5.020355 1.048018 -0.354724
C -8.645561 -1.028186 0.610436
C -8.388711 1.351909 -0.248428
H -1.860876 -1.642404 0.643152
H 2.714053 -1.982789 0.655282
H 3.156235 2.124453 -0.690310
H -3.945983 -2.364663 0.952697
H -3.531270 1.715472 -0.492533
H -1.928232 2.427115 -1.671487
H -0.575849 3.428673 -1.070690
H -1.910739 2.987756 0.033370
H -6.391031 -2.138193 0.931529
H -5.953325 1.966961 -0.524199
H 5.229606 -2.238342 0.702235
H 5.678142 1.872936 -0.644728
H -9.698563 -0.715136 0.546422
H -8.441753 -1.328093 1.656836
H -8.512738 -1.916958 -0.037138
H -9.484539 1.266243 -0.195951
H -8.115953 1.596759 -1.293602
H -8.081101 2.197489 0.397531
H 8.642163 0.089646 2.014691


