%chk=000086414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086414

0 1
 Cl  -3.967800      -1.876200       2.849000    
 S   -2.471100       1.433100      -1.378400    
 O   -3.214600       2.646800      -1.103300    
 O   -2.508400      0.8023000      -2.683200    
 O  -0.9618000     -0.2437000       2.366800    
 O   -1.905200       1.801000       2.143400    
 O  -0.1167000     -0.5371000      -1.170200    
 O    3.724200      -2.909800     -0.6452000    
 O    5.873400       1.073900      0.7625000    
 N   -4.180100     -0.5929000     -0.6512000    
 N  -0.8442000       1.652300     -0.9015000    
 N   -4.591500      -1.422200      0.3230000    
 N    1.371200       1.104400     -0.4319000    
 N    2.538600     -0.9194000     -0.5443000    
 N    3.631300       1.105800      0.1712000    
 C   -3.188200      0.2349000     -0.2548000    
 C   -2.916800     -4.6999998E-02   1.045100    
 C   -3.816300      -1.084100       1.356700    
 C   -4.809900     -0.6692000      -1.948800    
 C   -1.931800      0.5905000       1.867700    
 C   0.1481000      0.6176000     -0.8589000    
 C    2.580000      0.3912000     -0.2590000    
 C    3.708100      -1.568500     -0.3683000    
 C    4.767300      0.3945000      0.3252000    
 C    4.866100     -0.9575000      6.8200000E-02
 C    2.502400      -3.486600      -1.091400    
 C    5.713500       2.465700       1.011500    
 H  -0.5717000       2.592800     -0.5895000    
 H   -5.051100      0.3379000      -2.295900    
 H   -5.740200      -1.238400      -1.859800    
 H   -4.135400      -1.187300      -2.634000    
 H    1.428300       2.094300     -0.2089000    
 H  -0.3147000      0.2451000       2.919000    
 H    5.791500      -1.503700      0.2006000    
 H    2.178000      -3.037100      -2.036000    
 H    2.677500      -4.552100      -1.267500    
 H    1.722600      -3.394100     -0.3280000    
 H    4.978700       2.640800       1.804500    
 H    5.434400       2.998700      9.6400000E-02
 H    6.676100       2.859600       1.350800    


%chk=000086414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086414

0 1
Cl -4.300666 -2.480663 2.487270
S -2.514583 1.923186 -0.807948
O -3.287807 3.086107 0.000957
O -2.565665 1.873894 -2.419225
O -3.457169 0.346754 3.563962
O -1.968586 1.637581 2.347261
O -0.306608 -0.022959 -1.360415
O 3.409728 -3.020396 -0.581007
O 6.076850 0.899378 -0.018595
N -3.471187 -0.800925 -0.906760
N -0.766460 2.008331 -0.239937
N -3.942796 -1.856186 -0.119526
N 1.419232 1.279219 -0.355183
N 2.367931 -0.907316 -0.465253
N 3.724962 1.094861 -0.198066
C -3.057320 0.243346 -0.128269
C -3.257905 -0.090372 1.234213
C -3.817562 -1.406468 1.160248
C -3.373856 -0.993205 -2.364841
C -2.830215 0.716432 2.384120
C 0.098373 0.969994 -0.705274
C 2.542091 0.427965 -0.352012
C 3.511022 -1.655084 -0.450870
C 4.841522 0.310051 -0.173362
C 4.800317 -1.096690 -0.305563
C 2.044813 -3.581396 -0.738399
C 6.116031 2.373873 0.100402
H -0.774171 2.272300 0.763839
H -3.967646 -0.234025 -2.895693
H -3.756307 -2.001906 -2.572791
H -2.318781 -0.897955 -2.666626
H 1.639480 2.257849 -0.151094
H -3.108619 0.903687 4.312002
H 5.701621 -1.707514 -0.293646
H 1.524322 -3.103113 -1.583726
H 2.215350 -4.652172 -0.918814
H 1.457630 -3.420297 0.180931
H 5.556512 2.706038 0.990950
H 5.684064 2.846662 -0.797404
H 7.185860 2.607437 0.195746


