%chk=000108320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108320

0 1
 S    2.865100      0.1923000      -1.486100    
 O    2.987100       1.589900      -1.878500    
 O    3.285800     -0.8567000      -2.403800    
 O   -6.717300      0.1181000      0.5553000    
 N   -2.801600     -0.7664000     -9.9299997E-02
 C   -2.081800       1.516600      6.9700003E-02
 C  -0.9603000      0.5922000     -0.3822000    
 C   -3.258200      0.5123000      0.2266000    
 C   -1.451200     -0.7254000     -0.4602000    
 C   -1.720400       2.181500       1.405300    
 C   -2.374500       2.570600      -1.007000    
 C   0.3572000      0.8955000     -0.6914000    
 C   -3.530200      -2.016900     -0.1071000    
 C  -0.6132000      -1.757100     -0.8538000    
 C    1.197900     -0.1449000      -1.086800    
 C   -4.487700      0.8801000      0.6196000    
 C   0.7167000      -1.460100      -1.167300    
 C   -3.411500      -2.736400       1.220600    
 C    3.836600      4.2700000E-02 -1.1300000E-02
 C   -5.535000     -0.1455000      0.7381000    
 C    4.384400      -1.184700      0.3100000    
 C    4.024300       1.156800      0.7846000    
 C    5.148500      -1.302500       1.471000    
 C    4.788600       1.038900       1.945500    
 C    5.350600     -0.1908000       2.288600    
 H   -1.510200       1.437100       2.183000    
 H  -0.8288000       2.812100       1.309100    
 H   -2.534600       2.819300       1.767400    
 H   -1.503600       3.212300      -1.184500    
 H   -2.637300       2.106300      -1.965400    
 H   -3.205800       3.221800     -0.7143000    
 H   0.7125000       1.917800     -0.6180000    
 H   -4.563500      -1.911500     -0.4456000    
 H   -3.130800      -2.683900     -0.8828000    
 H  -0.9498000      -2.785800     -0.9176000    
 H   -4.759800       1.912600      0.8007000    
 H    1.369800      -2.276600      -1.464800    
 H   -2.389900      -3.102900       1.371200    
 H   -3.644000      -2.097500       2.077600    
 H   -4.078200      -3.604300       1.243400    
 H   -5.275700      -1.089300       1.215700    
 H    4.231800      -2.062200     -0.3103000    
 H    3.587700       2.120300      0.5412000    
 H    5.584600      -2.260300       1.739300    
 H    4.944000       1.903700       2.583800    
 H    5.944800     -0.2828000       3.193100    


%chk=000108320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108320

0 1
S 2.978129 0.183893 -1.543639
O 3.014730 1.763266 -1.982186
O 3.481010 -1.039452 -2.511284
O -6.804543 0.639808 1.408174
N -2.810416 -0.815186 -0.131701
C -2.120133 1.473460 0.047986
C -0.969548 0.568928 -0.386676
C -3.280705 0.456243 0.231253
C -1.434502 -0.770345 -0.472550
C -1.797228 2.198359 1.385198
C -2.466149 2.510892 -1.060635
C 0.359250 0.876996 -0.697595
C -3.591813 -2.063715 -0.212239
C -0.594418 -1.833247 -0.870145
C 1.190054 -0.198817 -1.074915
C -4.533179 0.852318 0.673099
C 0.751458 -1.528134 -1.183350
C -3.558320 -2.888649 1.092270
C 3.980434 0.049347 0.067055
C -5.716788 0.089509 1.043753
C 4.536469 -1.196658 0.395280
C 4.173889 1.218894 0.817915
C 5.308228 -1.277124 1.578268
C 4.948959 1.118881 1.997257
C 5.506411 -0.125431 2.376916
H -1.545376 1.475908 2.180775
H -0.938548 2.880196 1.248849
H -2.662417 2.795582 1.722324
H -1.608854 3.187670 -1.227161
H -2.702812 2.011784 -2.016089
H -3.336627 3.121535 -0.762535
H 0.751660 1.899454 -0.686744
H -4.627449 -1.803742 -0.488976
H -3.183456 -2.660439 -1.048398
H -0.952322 -2.863999 -0.942437
H -4.664072 1.933126 0.810633
H 1.443838 -2.301467 -1.532462
H -2.524208 -3.173133 1.354965
H -3.982518 -2.320463 1.938205
H -4.150104 -3.813292 0.969354
H -5.652421 -1.023921 1.042429
H 4.394916 -2.058072 -0.265944
H 3.759335 2.171912 0.472472
H 5.760098 -2.231693 1.867486
H 5.124177 2.010041 2.608926
H 6.108980 -0.194721 3.289120


