%chk=000002610.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002610

0 1
 S   -2.518100       2.020500      -1.413600    
 O   -1.526100      -2.328200     -0.1027000    
 O    1.297000       2.166000     -0.3406000    
 O   -4.856700      -2.243300     -0.8043000    
 O   -4.892700      -1.972800       1.466400    
 O    6.872200      -1.622700      -1.314100    
 N   -2.655000     -0.2583000     -5.8100000E-02
 N   0.5245000      9.9399999E-02  0.3719000    
 N    2.981900       2.270400       1.846100    
 C   -1.870200      0.9621000     -9.9699996E-02
 C  -0.6701000      6.3699998E-02 -0.4709000    
 C   -1.623200      -1.124400     -0.1560000    
 C   -4.008500     -0.2820000      4.8599999E-02
 C   -4.167800       2.154200     -0.6450000    
 C   -4.754600      0.8271000     -0.1691000    
 C    1.423700       1.167200      0.3658000    
 C   -6.252100      0.9012000      8.8999998E-03
 C   -4.631400      -1.580200      0.3471000    
 C    2.599500      0.9593000       1.314100    
 C    3.746500      0.2661000      0.6083000    
 C    4.198400     -0.9491000       1.090100    
 C    4.315200      0.8646000     -0.5016000    
 C    5.254800      -1.587300      0.4404000    
 C    5.371500      0.2264000      -1.151500    
 C    5.841400     -0.9997000     -0.6806000    
 H   -1.790300       1.444200      0.8823000    
 H  -0.3869000      7.0200004E-02  -1.532300    
 H   0.7293000     -0.6879000      0.9829000    
 H   -4.823000       2.597700      -1.402400    
 H   -4.112700       2.851000      0.1985000    
 H   -6.684000     -2.2600001E-02  0.4034000    
 H   -6.737100       1.109500     -0.9505000    
 H   -6.507300       1.703600      0.7093000    
 H    2.258600      0.3530000       2.162900    
 H    3.726200       2.153500       2.533200    
 H    2.195100       2.674300       2.353600    
 H   -5.273400      -3.118100     -0.6510000    
 H    3.749400      -1.416600       1.961400    
 H    3.966900       1.821000     -0.8799000    
 H    5.616400      -2.542300      0.8118000    
 H    5.820700      0.6953000      -2.022900    
 H    7.155400      -1.076400      -2.067400    


%chk=000002610-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002610

0 1
S -3.033974 2.404235 0.880417
O -0.633692 -0.594919 -2.162209
O 1.313561 3.441193 -0.352325
O -3.415995 -0.865843 -2.845894
O -4.544803 -2.448425 -1.572494
O 4.724435 -3.440469 0.421291
N -2.281549 0.074263 -0.459575
N 0.788852 1.227184 0.136982
N 3.972258 3.001077 0.056364
C -1.778843 1.048932 0.542715
C -0.549593 1.311481 -0.393376
C -1.084806 0.108152 -1.245937
C -3.596088 -0.434950 -0.516319
C -4.307240 1.079267 1.401542
C -4.563763 -0.012812 0.373388
C 1.652800 2.310121 0.105477
C -5.989001 -0.526804 0.367347
C -3.907399 -1.372130 -1.644957
C 3.060219 2.076907 0.732716
C 3.532337 0.623076 0.646476
C 3.391705 -0.258562 1.748910
C 4.101905 0.126961 -0.552653
C 3.791692 -1.608849 1.661073
C 4.505022 -1.218735 -0.657099
C 4.343706 -2.088567 0.451655
H -1.517677 0.571545 1.502817
H -0.648824 2.270304 -0.934973
H 1.170919 0.317942 0.413843
H -5.239250 1.634218 1.601499
H -3.956042 0.656841 2.361782
H -6.118863 -1.413603 -0.268419
H -6.683126 0.267269 0.026689
H -6.298133 -0.799695 1.395347
H 2.908939 2.311462 1.819440
H 4.869882 3.140066 0.523260
H 3.510759 3.861337 -0.257697
H -3.527928 -1.537238 -3.571709
H 2.981003 0.116080 2.695682
H 4.236231 0.821813 -1.387900
H 3.694706 -2.293423 2.508650
H 4.940159 -1.591641 -1.593767
H 5.088898 -3.685461 -0.465260


