%chk=000071365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071365

0 1
 S   -1.180600       1.071400      -1.937600    
 S    4.506100     -0.3119000     -0.5076000    
 O   0.2846000      8.8600002E-02   2.099700    
 O   -3.281800      -2.197300       1.074400    
 O   -3.873500     -5.8699999E-02   1.596200    
 O    2.904700       1.601600       1.352900    
 N   -1.438100      0.7349000      0.6215000    
 N    1.397500       1.735000     -0.4080000    
 C   -1.165800       1.855200     -0.2840000    
 C   -2.438600     -0.1818000      -1.374800    
 C   -2.035100     -0.4722000      8.6800002E-02
 C   0.1996000       1.994200      0.4030000    
 C  -0.2397000      0.7986000       1.271800    
 C   -3.831600      0.4408000      -1.539300    
 C   -2.317700      -1.433500      -2.245900    
 C   -3.159500     -0.8495000      0.9977000    
 C    2.664100       1.558700      0.1473000    
 C    3.741900       1.285600     -0.8743000    
 C    3.036300      -1.354800     -0.6584000    
 C    3.388900      -2.783600     -0.3960000    
 C    2.838300      -3.521400      0.5748000    
 H   -1.859400       2.689600     -0.1463000    
 H   -1.263500      -1.252800      0.1398000    
 H   0.3032000       2.919900      0.9813000    
 H   -4.615200     -0.2732000      -1.260800    
 H   -3.965600       1.333400     -0.9182000    
 H   -4.021500      0.7273000      -2.580700    
 H   -3.026900      -2.202200      -1.918300    
 H   -2.534300      -1.216200      -3.298300    
 H   -1.314400      -1.872100      -2.193300    
 H    1.307500       1.678800      -1.419500    
 H   -4.015300      -2.465400       1.668000    
 H    3.353900       1.283400      -1.896700    
 H    4.494500       2.076500     -0.8011000    
 H    2.264400      -1.026200      4.3400001E-02
 H    2.635200      -1.268000      -1.673400    
 H    4.115800      -3.256100      -1.052700    
 H    3.125900      -4.558700      0.7062000    
 H    2.097400      -3.109100       1.251000    


%chk=000071365-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071365

0 1
S -1.291031 0.897083 -1.961004
S 4.899821 0.112012 -0.155233
O 0.157032 -1.153767 1.516600
O -4.658988 -1.677256 0.626979
O -4.278985 0.350384 1.706495
O 2.724761 2.761489 0.740532
N -1.576701 0.306890 0.629283
N 1.496362 1.125015 -0.376122
C -1.084557 1.469855 -0.157948
C -2.911763 -0.059585 -1.432134
C -2.626237 -0.541938 0.066348
C 0.342031 1.246894 0.474612
C -0.271714 -0.094774 1.027963
C -4.093025 0.930341 -1.526381
C -3.096221 -1.262846 -2.372941
C -3.906979 -0.525010 0.905412
C 2.664245 1.859398 -0.142371
C 3.849382 1.447899 -1.006383
C 3.732904 -1.399364 -0.349910
C 4.525821 -2.656246 -0.117117
C 4.315959 -3.494095 0.930295
H -1.587661 2.430933 0.009185
H -2.258735 -1.585243 0.042802
H 0.581182 1.983132 1.261826
H -5.045626 0.422848 -1.280400
H -3.971401 1.787028 -0.841638
H -4.170297 1.319375 -2.554908
H -3.971511 -1.855325 -2.048125
H -3.274744 -0.927994 -3.409808
H -2.209818 -1.920648 -2.366818
H 1.471546 0.429935 -1.125618
H -5.494012 -1.670002 1.169404
H 3.549154 1.078811 -2.003512
H 4.529059 2.305932 -1.117565
H 2.900345 -1.303156 0.365117
H 3.353381 -1.357220 -1.389305
H 5.315246 -2.877411 -0.849140
H 4.910741 -4.404841 1.061357
H 3.542736 -3.289731 1.680772


