%chk=000086451.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086451

0 1
 S   -1.350400      -1.198500      0.8521000    
 O   -1.450400      -2.630100      0.6269000    
 O   -1.796600     -0.5979000       2.098300    
 O   -3.392800       1.573300      0.1316000    
 O   -1.422400       1.697100      -1.067900    
 O    4.693800       1.526200      0.2767000    
 O    4.963500     -0.2280000      -1.015100    
 N    4.255900      0.4781000     -0.2564000    
 C   -2.358500     -0.3801000     -0.4707000    
 C   -2.413700      -1.242900      -1.677400    
 C   -3.584300      -1.172700     -0.7412000    
 C   -2.310800       1.059100     -0.5194000    
 C   0.2934000     -0.7071000      0.5270000    
 C   0.8017000      0.4549000       1.107500    
 C    1.098100      -1.476200     -0.3135000    
 C    2.114600      0.8478000      0.8476000    
 C    2.411100      -1.083500     -0.5735000    
 C   -3.471300       3.002000      0.1603000    
 C    2.919300      7.8699999E-02  7.1000000E-03
 H   -1.864100      -2.172500      -1.740700    
 H   -2.523900     -0.7622000      -2.644400    
 H   -4.470100     -0.6591000      -1.100100    
 H   -3.820200      -2.047200     -0.1481000    
 H   0.1905000       1.071600       1.760400    
 H   0.7216000      -2.381500     -0.7813000    
 H    2.476200       1.759600       1.316100    
 H    3.008500      -1.706400      -1.234200    
 H   -3.539900       3.397900     -0.8574000    
 H   -2.602800       3.418200      0.6798000    
 H   -4.375200       3.282000      0.7078000    


%chk=000086451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086451

0 1
S -1.234206 -1.313063 0.954555
O -1.323272 -2.866864 0.432222
O -1.525547 -0.928775 2.507071
O -3.630037 1.656049 -0.592340
O -1.675453 1.741425 0.676343
O 4.963234 1.468401 0.189451
O 5.146507 -0.294568 -1.246107
N 4.489941 0.423172 -0.398981
C -2.500091 -0.389974 -0.186044
C -2.702630 -1.019353 -1.575777
C -3.749832 -1.226294 -0.489743
C -2.528810 1.083943 0.036909
C 0.512950 -0.715387 0.493685
C 1.032140 0.416297 1.144080
C 1.237665 -1.509901 -0.410315
C 2.358270 0.792145 0.846427
C 2.561336 -1.127932 -0.712297
C -3.744442 3.133577 -0.463924
C 3.091161 0.018712 -0.081146
H -2.073681 -1.883728 -1.811412
H -2.898856 -0.318522 -2.391176
H -4.689169 -0.671335 -0.531678
H -3.783461 -2.221282 -0.034657
H 0.418812 0.977639 1.852761
H 0.784938 -2.411703 -0.834421
H 2.825958 1.662373 1.313149
H 3.181861 -1.697951 -1.408077
H -2.849415 3.620953 -0.884390
H -3.848498 3.409743 0.597975
H -4.646574 3.392807 -1.034245


