%chk=000091418.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091418

0 1
 S   -6.078100     -0.9166000     -3.2499999E-02
 S   -7.536700      0.5857000      2.7200000E-02
 O   -8.948900     -0.2275000     -7.6000001E-03
 O   -7.431100       1.242100       1.316100    
 O   -7.428300       1.344400      -1.204000    
 N   -2.100800     -0.1168000      5.1000002E-03
 C    1.588600      -1.056600     -6.8999998E-02
 C   0.3498000     -0.1598000     -1.7700000E-02
 C    2.875500     -0.2339000      1.5100000E-02
 C  -0.9334000     -0.9877000     -6.5099999E-02
 C    4.113100      -1.129900     -6.9799997E-02
 C    5.387200     -0.3259000     -2.2900000E-02
 C   -3.331500     -0.8942000     -2.8400000E-02
 C   -4.534500      3.9900001E-02  8.2999999E-03
 C    5.961600      0.1401000      -1.205500    
 C    5.991600     -4.7499999E-02   1.203100    
 C    7.140600      0.8844000      -1.162200    
 C    7.170500      0.6970000       1.246200    
 C    7.744900       1.162800      6.3600004E-02
 H    1.581700      -1.636600     -0.9999000    
 H    1.559300      -1.774300      0.7600000    
 H   0.3725000      0.5428000     -0.8603000    
 H   0.3701000      0.4383000      0.9022000    
 H    2.892400      0.5018000     -0.7991000    
 H    2.888900      0.3340000      0.9540000    
 H  -0.9522000      -1.575000     -0.9913000    
 H  -0.9393000      -1.688900      0.7781000    
 H    4.089400      -1.720900     -0.9944000    
 H    4.108600      -1.858500      0.7511000    
 H   -2.085300      0.5416000     -0.7734000    
 H   -3.363600      -1.503500     -0.9407000    
 H   -3.362300      -1.571000      0.8345000    
 H   -4.523100      0.6468000      0.9201000    
 H   -4.523300      0.7186000     -0.8514000    
 H    5.499100     -6.8499997E-02  -2.166500    
 H    5.552600     -0.4034000       2.131400    
 H    7.587700       1.247700      -2.083000    
 H    7.640900      0.9143000       2.200700    
 H    8.662600       1.742600      9.7300000E-02
 H   -9.759500      0.3334000      1.4500000E-02


%chk=000091418-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091418

0 1
S -4.835730 1.846772 -0.029029
S -3.538587 0.763235 1.865533
O -4.131560 -1.038996 1.890568
O -2.003203 0.630630 1.359977
O -3.883277 1.399175 3.313243
N -2.708569 -1.044808 -2.179781
C 0.833860 -1.403692 -0.576020
C -0.364294 -0.666158 -1.212868
C 2.019946 -0.460060 -0.276642
C -1.549478 -1.633926 -1.499413
C 3.210792 -1.191512 0.404451
C 4.380703 -0.260077 0.685549
C -3.817377 -0.438865 -1.461834
C -3.654740 1.115223 -1.285497
C 5.463089 -0.150217 -0.225453
C 4.393573 0.556370 1.846914
C 6.526945 0.749680 0.013183
C 5.454168 1.457133 2.091092
C 6.525935 1.558177 1.173242
H 1.175105 -2.221513 -1.246163
H 0.504127 -1.884894 0.367948
H -0.046419 -0.178735 -2.157886
H -0.715867 0.124060 -0.523162
H 2.373973 0.010367 -1.216239
H 1.678632 0.365404 0.378699
H -1.175629 -2.474632 -2.120216
H -1.900766 -2.061428 -0.541692
H 3.537173 -2.025492 -0.247892
H 2.847633 -1.644709 1.348191
H -2.596652 -0.810360 -3.168775
H -4.775581 -0.623370 -1.985586
H -3.887756 -0.921741 -0.471765
H -2.625844 1.391852 -0.995023
H -3.906594 1.622836 -2.234995
H 5.473476 -0.778049 -1.125656
H 3.567553 0.481550 2.565654
H 7.356182 0.817127 -0.700667
H 5.447478 2.076270 2.995601
H 7.350908 2.254442 1.361925
H -4.706026 -1.145773 2.704384


