%chk=000178381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178381

0 1
 S   0.8290000      -1.875100      0.6413000    
 P  -0.1114000     -0.3980000     -0.5436000    
 O  -7.1699999E-02 -0.8588000      -1.985600    
 N   -1.625100     -0.1671000      6.9399998E-02
 N   0.7032000       1.009200     -0.2673000    
 C   -2.455500      0.9099000     -0.4644000    
 C   -2.516200      -1.318000      0.2153000    
 C   0.8741000       1.478000       1.105900    
 C    1.994000       1.223700     -0.9216000    
 C   -3.749100      0.7608000      0.3099000    
 C   -3.889200     -0.7376000      0.5246000    
 C    1.692000       2.741900      0.9370000    
 C    2.595900       2.450200     -0.2498000    
 C    2.473200      -2.086700     -7.0699997E-02
 C    3.256800      -3.132500      0.6996000    
 H   -2.625100      0.7702000      -1.538600    
 H   -2.012700       1.897600     -0.3072000    
 H   -2.189700      -1.986400       1.017400    
 H   -2.556200      -1.895500     -0.7158000    
 H    1.428800      0.7578000       1.716500    
 H  -7.9899997E-02   1.688800       1.597700    
 H    1.836000       1.419400      -1.988000    
 H    2.689800      0.3986000     -0.8633000    
 H   -4.605500       1.184200     -0.2234000    
 H   -3.671500       1.266700       1.280200    
 H   -4.199000     -0.9511000       1.553200    
 H   -4.643400      -1.158400     -0.1493000    
 H    2.259700       2.995700       1.837300    
 H    1.036600       3.589400      0.7013000    
 H    2.637800       3.309800     -0.9270000    
 H    3.615900       2.236900      8.8900000E-02
 H    2.400200      -2.346700      -1.129700    
 H    3.041600      -1.169700      4.5299999E-02
 H    3.373900      -2.856800       1.753500    
 H    2.772300      -4.113500      0.6486000    
 H    4.259900      -3.237500      0.2726000    


%chk=000178381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178381

0 1
S 1.385670 -1.398268 1.341630
P 0.347782 -0.230439 -0.411378
O 0.790789 -0.857211 -1.827700
N -1.294530 -0.262918 0.132858
N 0.728668 1.461889 -0.312648
C -2.309100 0.727570 -0.337447
C -1.943082 -1.527622 0.610543
C 0.739738 2.158969 1.008341
C 1.716141 2.071082 -1.256647
C -3.585172 0.267170 0.399360
C -3.456080 -1.277458 0.376944
C 1.625401 3.406734 0.761400
C 2.609557 2.943026 -0.343875
C 2.528576 -2.474725 0.251902
C 2.221727 -3.967460 0.431328
H -2.453221 0.677747 -1.437476
H -2.000666 1.754210 -0.077807
H -1.711938 -1.685514 1.679322
H -1.581283 -2.409751 0.051111
H 1.182210 1.502943 1.787280
H -0.283947 2.428193 1.327345
H 1.181906 2.693807 -2.001128
H 2.265175 1.286612 -1.805947
H -4.503658 0.630724 -0.092826
H -3.574731 0.639042 1.440241
H -4.077832 -1.773199 1.141635
H -3.757794 -1.664126 -0.613862
H 2.133712 3.735955 1.683621
H 1.008051 4.246601 0.392216
H 3.068561 3.785787 -0.888378
H 3.418146 2.330538 0.095874
H 2.348601 -2.147321 -0.789140
H 3.560424 -2.221939 0.546563
H 2.339006 -4.287492 1.481944
H 1.189115 -4.193811 0.114309
H 2.913578 -4.569944 -0.189307


