%chk=000170758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170758

0 1
 S   -1.525400      -2.139600      0.3314000    
 O  -0.6927000     -0.7686000      0.6107000    
 O   0.4483000       2.309600     -0.9720000    
 O   -2.092000       1.657200      -1.766800    
 O   -4.033300       1.844500      0.1663000    
 O    2.432700       2.762100       1.769500    
 O   -1.463000      -2.926500       1.759100    
 O  -0.8152000      -2.938500     -0.6498000    
 O   -2.907200      -1.761300      0.1010000    
 O    2.771100      -1.849100      0.5869000    
 N    2.371400      0.1180000     -0.5928000    
 C  -0.6550000      0.2496000     -0.3989000    
 C   0.3168000       1.346000      8.2800001E-02
 C   -2.090300      0.7193000     -0.6893000    
 C    1.720100      0.8540000      0.4615000    
 C   -2.723200       1.410000      0.5182000    
 C    2.637600       2.007400      0.8219000    
 C    2.842900      -1.176500     -0.4382000    
 C    3.456500      -1.717500      -1.701700    
 H  -0.2525000     -0.1825000      -1.324800    
 H  -8.3999999E-02   1.866000      0.9594000    
 H   -2.735900     -5.8800001E-02  -1.082300    
 H    1.657900      0.2158000       1.350500    
 H   -2.175800       2.312400      0.8023000    
 H   -2.796700      0.7412000       1.380300    
 H    2.506900      0.5869000      -1.484300    
 H  -0.4159000       2.739100      -1.087800    
 H    3.513100       2.168600      0.1687000    
 H   -3.007900       1.958000      -1.896300    
 H   -4.410800       2.276900      0.9512000    
 H    3.982300      -2.651600      -1.485400    
 H    2.668900      -1.909100      -2.435600    
 H    4.172000     -0.9998000      -2.113000    
 H  -0.5694000      -2.978800       2.172500    


%chk=000170758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170758

0 1
S -0.948152 -2.356274 0.688521
O -1.347863 -0.488663 0.839538
O 0.641360 1.957259 -1.204126
O -1.900748 2.113524 -1.720024
O -4.027095 2.563898 -0.299700
O 1.880551 2.440451 2.102464
O 0.433096 -2.467670 1.737754
O -0.531286 -2.606640 -0.859048
O -2.196359 -3.085172 1.362731
O 2.497660 -2.173546 0.414194
N 2.156876 -0.061463 -0.517704
C -0.985739 0.315471 -0.336541
C 0.173338 1.288904 0.016358
C -2.284385 1.038473 -0.777832
C 1.409225 0.558924 0.586721
C -3.068726 1.671589 0.386795
C 2.320175 1.533923 1.366760
C 2.658414 -1.325523 -0.548617
C 3.431980 -1.746920 -1.777162
H -0.650503 -0.344415 -1.164564
H -0.152902 2.026838 0.775595
H -2.940799 0.320223 -1.305453
H 1.075715 -0.204497 1.317145
H -2.403308 2.256967 1.051773
H -3.580262 0.886108 0.969635
H 2.180674 0.533862 -1.357509
H -0.194477 2.298882 -1.658722
H 3.415731 1.345381 1.240811
H -2.667315 2.751829 -1.729550
H -4.607643 3.027195 0.349828
H 4.391651 -2.190389 -1.463802
H 2.863642 -2.536189 -2.300015
H 3.624243 -0.915190 -2.473680
H 1.385535 -2.342749 1.162624


