%chk=000052278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052278

0 1
 S   -2.283900      -1.542900     -0.1617000    
 S   -2.311800       1.469500      8.2800001E-02
 S   0.7977000     -0.6793000       1.681400    
 O   -3.727400      -1.425000     -0.2621000    
 O   -1.676600      -2.675800      0.5097000    
 O   -1.834400       1.928400      -1.207600    
 O   -3.734800       1.430400      0.3626000    
 N   -1.615300     -6.9499999E-02  0.4630000    
 N   0.4872000      0.3635000     -0.6571000    
 C  -0.1236000     -8.2900003E-02  0.3933000    
 C    2.220900     -0.3212000      0.7763000    
 C    1.853200      0.2332000     -0.4534000    
 C   -1.661200      -1.498300      -1.825600    
 C   -1.588100       2.512600       1.332700    
 C    3.565900     -0.5170000       1.128800    
 C    2.869500      0.6040000      -1.360500    
 C    4.552000     -0.1415000      0.2132000    
 C    4.210600      0.4119000      -1.015900    
 H   -1.928300     -0.5529000      -2.298100    
 H  -0.5849000      -1.668800      -1.834400    
 H   -2.143700      -2.313200      -2.372600    
 H   -1.807800       2.091800       2.315700    
 H  -0.5131000       2.595300       1.167800    
 H   -2.045100       3.501400       1.246600    
 H    3.839900     -0.9486000       2.086700    
 H    2.613800       1.037200      -2.323400    
 H    5.599200     -0.2846000      0.4665000    
 H    4.991200      0.6980000      -1.715400    


%chk=000052278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052278

0 1
S -2.272531 -1.817450 -0.588504
S -2.580773 1.350040 0.473526
S 0.898567 -0.352794 2.147370
O -3.845878 -1.861880 -0.230774
O -1.316169 -3.111352 -0.398631
O -2.869648 1.633599 -1.109926
O -3.796913 1.350791 1.537920
N -1.499431 -0.446617 0.736036
N 0.584379 -0.132298 -0.540766
C -0.134406 -0.292933 0.574049
C 2.341852 -0.122014 1.096619
C 1.954431 -0.047004 -0.291583
C -2.025056 -1.108993 -2.352730
C -1.273289 2.624171 1.053007
C 3.695317 -0.035967 1.482243
C 2.949186 0.114869 -1.292539
C 4.665672 0.125783 0.470672
C 4.295600 0.200352 -0.903875
H -2.607653 -0.175875 -2.368290
H -0.944137 -0.934233 -2.435804
H -2.405132 -1.893011 -3.023336
H -1.009772 2.357610 2.084754
H -0.427307 2.552218 0.357650
H -1.791545 3.591269 0.986224
H 3.992417 -0.097047 2.533223
H 2.647009 0.168602 -2.342428
H 5.722668 0.192217 0.749181
H 5.073642 0.323646 -1.663988


