%chk=000060870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060870

0 1
 S    3.122500      0.1085000      0.7487000    
 O   -1.590200      -1.607900      -1.737000    
 O   -4.010700       1.690400       2.283600    
 O    4.085200       2.592800      -2.043400    
 O    5.641800     -0.6332000      0.8716000    
 N    5.048900      0.9989000     -0.6728000    
 N   -2.544900      -1.340000      0.2957000    
 C    2.023200       2.558200      0.1371000    
 C    2.691900       1.355000     -0.5039000    
 C   0.5585000       2.316000      0.3970000    
 C   -4.640500     -0.1835000     -0.3254000    
 C   -4.497700       1.316300     -4.7300000E-02
 C   -2.137400       1.868700      0.8736000    
 C   -3.331800     -0.8228000     -0.6806000    
 C   -3.550900       1.635800       1.124700    
 C   0.1618000       1.771300       1.609300    
 C  -0.3699000       2.640900     -0.5811000    
 C    3.994600       1.736700      -1.170000    
 C   -1.193800       1.546200       1.849000    
 C   -1.725500       2.416000     -0.3414000    
 C   -2.781600     -0.9706000      -1.909300    
 C   -1.520800      -1.794600     -0.3905000    
 C    4.821500      9.0499997E-02  0.3274000    
 C   -3.159400     -0.6207000      -3.282800    
 C  -0.3361000      -2.461200      7.4299999E-02
 C   0.6452000      -2.868500     -0.8341000    
 C  -0.1579000      -2.707400       1.438700    
 C    1.794700      -3.516600     -0.3821000    
 C   0.9915000      -3.355400       1.890700    
 C    1.967800      -3.760100      0.9803000    
 H    2.529200       2.867700       1.062100    
 H    2.109100       3.433800     -0.5214000    
 H    2.061000      0.8821000      -1.265200    
 H   -5.044100     -0.6826000      0.5644000    
 H   -5.365600     -0.3397000      -1.132500    
 H   -4.220800       1.847900     -0.9590000    
 H   -5.480600       1.722800      0.2250000    
 H   0.8826000       1.526600       2.383700    
 H  -5.9200000E-02   3.070700      -1.529200    
 H   -1.495300       1.116200       2.800600    
 H   -2.419600       2.712300      -1.119400    
 H    5.986100       1.137200      -1.036900    
 H   -3.895700      0.1886000      -3.296600    
 H   -2.287400     -0.2886000      -3.854900    
 H   -3.593800      -1.486500      -3.791400    
 H   0.5483000      -2.696100      -1.903100    
 H  -0.9043000      -2.400000       2.167400    
 H    2.555900      -3.830500      -1.090400    
 H    1.127300      -3.544000       2.951700    
 H    2.863500      -4.263300       1.332400    


%chk=000060870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060870

0 1
S 3.555797 0.567026 1.604897
O -3.214729 -3.008871 -1.684622
O -3.611548 1.202422 1.574476
O 5.398821 3.693113 -0.085900
O 6.070780 -0.158633 2.516258
N 5.896750 1.797323 1.206913
N -2.529615 -1.000844 -0.846391
C 2.617043 3.251832 1.090994
C 3.577330 2.157422 0.552253
C 1.156014 2.856775 0.948180
C -4.673062 0.366623 -0.954807
C -3.723929 1.581034 -0.815725
C -1.561740 2.029535 0.630047
C -3.901701 -0.909766 -1.184165
C -2.989034 1.565211 0.532425
C 0.434621 2.304735 2.039132
C 0.494914 3.001258 -0.298577
C 5.032366 2.648934 0.504350
C -0.904387 1.901445 1.883448
C -0.843655 2.589833 -0.459389
C -4.329055 -2.125345 -1.697987
C -2.146687 -2.241379 -1.145064
C 5.394121 0.654410 1.864916
C -5.621702 -2.659272 -2.214616
C -0.836621 -2.865159 -0.990375
C -0.597362 -4.198801 -1.420748
C 0.218589 -2.119479 -0.393673
C 0.679986 -4.773474 -1.257149
C 1.491595 -2.701523 -0.233470
C 1.728102 -4.029656 -0.664674
H 2.869219 3.463207 2.145544
H 2.832411 4.165995 0.504788
H 3.275729 1.868250 -0.469621
H -5.264374 0.291497 -0.021521
H -5.384788 0.536514 -1.784162
H -3.018637 1.606101 -1.661094
H -4.325250 2.512777 -0.847873
H 0.930888 2.188169 3.009739
H 1.031667 3.443244 -1.147583
H -1.470966 1.475036 2.717612
H -1.321679 2.711883 -1.436085
H 6.899671 2.000778 1.257811
H -6.382765 -1.861332 -2.216942
H -5.519046 -3.044034 -3.245988
H -5.999144 -3.488305 -1.587616
H -1.411218 -4.771264 -1.876914
H 0.018431 -1.096070 -0.059089
H 0.858976 -5.801887 -1.589885
H 2.297144 -2.122286 0.231650
H 2.718327 -4.480703 -0.536429


