%chk=000103296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103296

0 1
 S    3.608800      -1.789800     -0.1333000    
 S  -0.6729000       1.814300     -0.1300000    
 S   -3.530800       2.738300     -0.2987000    
 O   -1.435100      -1.887100     -0.6588000    
 O   -3.871500     -0.5335000       1.656600    
 O   -5.743700      -1.264100      0.6036000    
 N    4.574900      0.6389000      0.2511000    
 N   -2.600800      0.1504000     -0.5289000    
 C    5.733100     -0.2339000      0.4501000    
 C    5.423100      -1.565700     -0.2453000    
 C    3.385500     -4.7600001E-02  4.7800001E-02
 C    4.705800       2.048600      0.5575000    
 C    2.145300      0.4595000     -1.4700000E-02
 C  -0.2651000      0.1565000     -0.2936000    
 C   0.9721000     -0.3488000     -0.2311000    
 C   -1.473300     -0.6722000     -0.5160000    
 C   -3.939400     -0.3968000     -0.7330000    
 C   -2.396200       1.512100     -0.3393000    
 C   -4.619900     -0.7790000      0.5561000    
 H    5.889000     -0.3928000       1.524300    
 H    6.647600      0.2054000      3.6699999E-02
 H    5.692600      -1.513900      -1.305500    
 H    5.957200      -2.401800      0.2140000    
 H    4.323700       2.258300       1.561900    
 H    4.153800       2.658900     -0.1648000    
 H    5.752800       2.367700      0.5194000    
 H    2.031300       1.531900      0.1041000    
 H    1.060500      -1.422100     -0.3546000    
 H   -3.846900      -1.310300      -1.330600    
 H   -4.573700      0.3122000      -1.270700    
 H   -4.336200     -0.7899000       2.481600    


%chk=000103296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103296

0 1
S 3.786605 -1.923796 -0.061420
S -0.758075 1.925461 0.079101
S -3.780322 2.649259 -0.033437
O -1.493905 -1.854920 -0.863491
O -4.023854 -0.660231 1.686885
O -6.025807 -0.847378 0.517639
N 4.659448 0.577991 0.217849
N -2.649551 0.181691 -0.499316
C 5.858356 -0.245450 0.502600
C 5.648368 -1.580987 -0.229683
C 3.474328 -0.118985 0.057534
C 4.678847 2.031092 0.433492
C 2.199658 0.439872 0.008907
C -0.279378 0.191943 -0.272049
C 1.012391 -0.302689 -0.261233
C -1.453791 -0.625136 -0.569396
C -3.950103 -0.444040 -0.731359
C -2.530209 1.526888 -0.178264
C -4.793997 -0.650190 0.525672
H 5.969485 -0.410200 1.595324
H 6.760894 0.271521 0.131246
H 5.890654 -1.511070 -1.300714
H 6.192406 -2.412623 0.239850
H 4.255813 2.311419 1.419275
H 4.098129 2.541679 -0.354985
H 5.718623 2.391230 0.381110
H 2.103433 1.514758 0.205120
H 1.092385 -1.375340 -0.494868
H -3.744122 -1.437913 -1.174098
H -4.549248 0.156490 -1.434671
H -4.615858 -0.806646 2.473280


