%chk=000050949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050949

0 1
 S   -2.926500       1.434100      3.1800002E-02
 O    2.680600     -0.3094000     -0.5551000    
 O   -2.998200       2.818100     -0.4107000    
 O   -3.803000      0.4352000     -0.5602000    
 O   -2.264100      -1.951300      0.9569000    
 O   -2.580100      -1.881600      -1.322200    
 N   -3.102200       1.385100       1.729700    
 C    4.867700     -0.3630000      0.4751000    
 C    3.663700      0.4968000      8.0899999E-02
 C    5.519200      -1.005800     -0.7512000    
 C    5.890200      0.4720000       1.242800    
 C    1.375300      8.5900001E-02 -0.4195000    
 C   -1.272100      0.8886000     -0.1436000    
 C  -0.9651000     -0.4642000     -0.2888000    
 C   0.3632000     -0.8671000     -0.4272000    
 C    1.077400       1.435900     -0.2751000    
 C  -0.2509000       1.838700     -0.1366000    
 C   -2.004600      -1.485000     -0.3019000    
 C   -3.270300      -2.962900       1.075000    
 H    4.518400      -1.176200       1.124300    
 H    3.271000      0.9514000       1.000400    
 H    3.974700       1.292500     -0.6072000    
 H    6.380100      -1.615800     -0.4575000    
 H    5.868800     -0.2460000      -1.458500    
 H    4.815500      -1.659900      -1.276400    
 H    6.741900     -0.1433000       1.551500    
 H    5.444000      0.9001000       2.146600    
 H    6.272100       1.295800      0.6300000    
 H   0.6113000      -1.919600     -0.5409000    
 H  -0.4632000       2.898000     -2.3399999E-02
 H    1.839100       2.209400     -0.2919000    
 H   -3.155900       2.280500       2.230300    
 H   -3.700900      0.6504000       2.126300    
 H   -2.980500      -3.851400      0.5065000    
 H   -4.233400      -2.578000      0.7271000    
 H   -3.359200      -3.233000       2.130500    


%chk=000050949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050949

0 1
S -2.956204 1.330086 -0.036357
O 2.841429 -0.466042 0.318301
O -2.855173 2.938390 -0.260308
O -3.761563 0.437954 -1.137585
O -2.977498 -1.560529 0.797357
O -1.567227 -2.920251 -0.472416
N -3.580077 1.153873 1.667398
C 5.264800 -0.230856 0.388054
C 3.933562 0.533873 0.374261
C 5.458460 -1.049552 -0.907859
C 6.423346 0.771941 0.605555
C 1.529434 -0.009023 0.274274
C -1.183671 0.685384 0.175435
C -0.832922 -0.688228 0.168862
C 0.538201 -1.019051 0.203188
C 1.150221 1.358512 0.292473
C -0.216747 1.698102 0.231977
C -1.797491 -1.832674 0.097222
C -4.118786 -2.482774 0.557636
H 5.233865 -0.930222 1.247226
H 3.817039 1.144152 1.293371
H 3.869719 1.195532 -0.515170
H 6.390091 -1.641645 -0.858568
H 5.529324 -0.380781 -1.787640
H 4.615237 -1.742402 -1.069048
H 7.390601 0.239734 0.632271
H 6.316094 1.326185 1.556900
H 6.470819 1.509005 -0.219020
H 0.840206 -2.069731 0.173297
H -0.542166 2.743719 0.206768
H 1.896637 2.155141 0.340988
H -4.410081 1.753969 1.791451
H -3.715514 0.149650 1.864572
H -3.743809 -3.481385 0.284763
H -4.718183 -2.049895 -0.259969
H -4.687976 -2.515162 1.498139


