%chk=000012894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012894

0 1
 S  -0.3144000       1.009800      6.8599999E-02
 O    2.677000      0.7712000      6.8000001E-03
 O  -0.2325000       2.131200     -0.8590000    
 O   7.5499997E-02   1.199800       1.460300    
 N   0.5452000     -0.3216000     -0.5979000    
 N    2.690900      -1.445800     -0.4402000    
 N   -5.882600      -1.075100      1.9700000E-02
 C   -1.949200      0.3972000      5.4400001E-02
 C    2.001700     -0.3449000     -0.3409000    
 C    3.954400      0.3192000      0.1449000    
 C    3.958300      -1.026300     -0.1270000    
 C   -2.442900     -0.2994000       1.157300    
 C   -2.761800      0.6047000      -1.060200    
 C   -3.749200     -0.7886000       1.145800    
 C   -4.068100      0.1157000      -1.071700    
 C   -4.561700     -0.5810000      3.1300001E-02
 C    4.973500       1.303100      0.5249000    
 C    5.085800      -1.969100     -0.1170000    
 H   9.5799997E-02  -1.240700     -0.6876000    
 H   -1.825700     -0.4792000       2.033000    
 H   -2.395900       1.138700      -1.932600    
 H   -4.121800      -1.331400       2.010800    
 H   -4.691200      0.2826000      -1.946700    
 H    5.958300      0.8376000      0.6290000    
 H    5.049600       2.089200     -0.2327000    
 H    4.718400       1.771000       1.480600    
 H    5.543000      -2.013600      0.8765000    
 H    4.758600      -2.979100     -0.3830000    
 H    5.851900      -1.662700     -0.8361000    
 H   -6.240900      -1.580900      0.8187000    
 H   -6.471900     -0.9255000     -0.7884000    


%chk=000012894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012894

0 1
S -0.430018 -0.551494 2.150544
O 1.844368 -0.409059 -0.487723
O 0.392809 0.851445 2.303074
O -0.955975 -1.410095 3.438597
N 0.793377 -1.883646 1.053136
N 3.223888 -1.434207 1.042060
N -5.129678 0.386777 -1.535895
C -1.868572 -0.266140 1.014510
C 1.952331 -1.297529 0.624921
C 3.171682 -0.000576 -0.744886
C 4.004298 -0.650850 0.170846
C -3.006616 -1.082465 1.152764
C -1.774939 0.753313 0.048381
C -4.100303 -0.857723 0.300857
C -2.870743 0.972391 -0.802091
C -4.048129 0.169068 -0.692035
C 3.380561 0.989650 -1.838842
C 5.495347 -0.579346 0.314181
H 0.989263 -2.589508 1.789832
H -3.037417 -1.856398 1.926219
H -0.871209 1.366594 -0.020932
H -5.000747 -1.474822 0.398870
H -2.822643 1.765407 -1.557184
H 4.455627 1.197758 -1.962979
H 2.985421 0.617237 -2.801791
H 2.869008 1.944684 -1.616479
H 5.941462 0.117023 -0.415450
H 5.768878 -0.243099 1.329961
H 5.950094 -1.575411 0.166007
H -5.970986 -0.178403 -1.463413
H -5.102339 1.115524 -2.243461


