%chk=000040153.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040153

0 1
 S   -1.749900       2.788200      -1.074000    
 S   0.8467000       2.940600      0.4104000    
 S   0.9270000      -2.650000     -0.3760000    
 S   -1.801500      -1.554900     -0.9468000    
 O   -3.462900       1.350400       2.097100    
 O    3.759200       1.613900       2.619100    
 O    3.854100      -2.872800       2.174200    
 O   -4.320000      -2.157900       1.953900    
 O   -3.801200      0.8984000     -0.1043000    
 O    2.565900       3.544800       2.732300    
 O    3.421700      -4.077100      0.2959000    
 O   -4.289800      -2.943900     -0.1783000    
 C   0.4248000       1.146300      -1.688000    
 C   0.5341000     -0.2435000      -1.738600    
 C  -0.2756000       1.831500     -0.5334000    
 C  -3.5799999E-02  -1.098800     -0.6551000    
 C   0.9645000       1.925800      -2.711200    
 C    1.182700     -0.8535000      -2.812400    
 C    1.613200       1.315700      -3.784800    
 C    1.722400     -7.3700003E-02  -3.835400    
 C   -2.625200       2.911800      0.5061000    
 C    1.697300       1.711000       1.431500    
 C    2.277700      -1.981800      0.6277000    
 C   -2.275300      -1.995500      0.7443000    
 C   -3.357200       1.628000      0.7729000    
 C    2.696200       2.401000       2.315400    
 C    3.224100      -3.089200      0.9918000    
 C   -3.717100      -2.414600      0.7655000    
 H  -0.6820000       1.137200      0.1942000    
 H   2.1000000E-02 -0.6109000      0.3170000    
 H   0.8934000       3.010200      -2.697500    
 H    1.260200      -1.930000      -2.925500    
 H    2.031500       1.922400      -4.582600    
 H    2.219300     -0.5483000      -4.676500    
 H   -1.937900       3.141600       1.323500    
 H   -3.365600       3.714600      0.4435000    
 H   0.9886000       1.165200       2.059600    
 H    2.229200       1.022800      0.7710000    
 H    2.834900      -1.221300      7.5099997E-02
 H    1.857800      -1.554800       1.543000    
 H   -1.678600      -2.829200       1.122600    
 H   -2.140900      -1.122400       1.388000    
 H   -3.938000      0.5072000       2.257500    
 H    4.400300       2.073500       3.202100    
 H    4.474100      -3.599600       2.397000    
 H   -5.259100      -2.441700       1.956800    


%chk=000040153-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040153

0 1
S -1.791398 2.367659 -0.414679
S 0.982645 3.075747 0.568699
S 0.559062 -2.636253 -0.044665
S -1.835221 -2.199269 -1.935382
O -2.032593 0.008042 1.850969
O 4.826774 2.421526 1.675292
O 2.897378 -1.380611 3.030442
O -3.724974 -1.827353 1.028922
O -4.230940 0.743831 1.682069
O 3.456063 4.297382 1.794924
O 2.417206 -3.516088 2.231586
O -5.109645 -2.655095 -0.641881
C 0.464014 1.028943 -1.441248
C 0.248449 -0.351599 -1.771025
C -0.050147 1.635603 -0.146090
C -0.537546 -1.292502 -0.876633
C 1.169887 1.848790 -2.361275
C 0.793728 -0.862139 -2.979316
C 1.673417 1.333074 -3.571710
C 1.493674 -0.034870 -3.878272
C -2.389052 2.351252 1.400333
C 2.545469 2.116767 1.041445
C 1.313873 -1.511101 1.264232
C -2.724376 -3.278015 -0.631571
C -2.997266 1.000756 1.676211
C 3.601470 3.087139 1.532662
C 2.235927 -2.285199 2.183419
C -3.976759 -2.598816 -0.132057
H -0.164318 0.892067 0.654656
H -1.069044 -0.765939 -0.073642
H 1.329576 2.900786 -2.099888
H 0.661249 -1.926000 -3.205884
H 2.209267 1.990380 -4.264727
H 1.895626 -0.452187 -4.807588
H -1.515170 2.569050 2.034206
H -3.145348 3.142869 1.487901
H 2.329573 1.390583 1.845261
H 2.928462 1.572622 0.161477
H 1.894238 -0.715808 0.768887
H 0.512016 -1.045438 1.865884
H -2.992398 -4.201955 -1.164004
H -2.000386 -3.489491 0.171391
H -2.481955 -0.901758 1.753046
H 5.511069 3.059738 2.016497
H 3.504432 -1.877081 3.643849
H -4.477710 -1.193340 1.245877


