%chk=000099878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099878

0 1
 Cl   4.505200      -2.493100       1.487400    
 S   -1.283000     -0.6452000       1.946700    
 S   -2.414000       1.054200       2.254500    
 O   0.3532000      -2.190500      -2.425900    
 O   -2.196600       2.318000      -1.091900    
 O   -3.747500      -2.479000      0.2919000    
 O    3.036200       2.113300     -0.1490000    
 O    4.800700      0.4594000       1.116600    
 N   -1.607200      0.1128000     -0.6390000    
 N   0.5783000      0.9071000      -1.279100    
 N   -4.066600     -0.1632000      0.4287000    
 C   8.6999997E-02  -1.462900      -1.236900    
 C  -0.4881000     -5.5599999E-02  -1.573900    
 C   -1.801500      -1.035900      0.2403000    
 C  -0.9959000      -2.161800     -0.4118000    
 C    1.355200      -1.126000     -0.5081000    
 C   -3.375600       1.123200      0.6719000    
 C   -2.362400       1.270600     -0.4736000    
 C   -3.299900      -1.334100      0.2758000    
 C    1.601400      0.2470000     -0.6126000    
 C   0.8032000       2.112200      -2.039400    
 C    2.238700      -1.981400      0.1320000    
 C   -4.292200       2.349600      0.7342000    
 C    2.763200      0.7823000     -7.6300003E-02
 C   -5.517200     -0.2584000      0.5317000    
 C    3.398600      -1.439800      0.6838000    
 C    3.660700     -6.7000002E-02  0.5777000    
 C    2.571200       2.931400      0.9237000    
 C    5.694700       1.112500      0.2205000    
 H  -0.8612000      3.7000000E-02  -2.600100    
 H   -1.632700      -2.741100      -1.094600    
 H  -0.5962000      -2.885100      0.3081000    
 H   0.5968000      -3.097100      -2.171700    
 H    1.678800       2.014900      -2.690400    
 H   0.9334000       2.977800      -1.384600    
 H  -5.4299999E-02   2.330000      -2.684800    
 H    2.029500      -3.045100      0.1873000    
 H   -3.723000       3.276300      0.8779000    
 H   -4.850400       2.469800     -0.2019000    
 H   -5.023800       2.278200       1.546900    
 H   -5.977200      0.4117000     -0.1986000    
 H   -5.820300      1.6700000E-02   1.545600    
 H   -5.860900      -1.276400      0.3296000    
 H    3.115900       2.697600       1.843600    
 H    1.496400       2.796500       1.083000    
 H    2.758400       3.976500      0.6627000    
 H    5.555500       2.195800      0.2748000    
 H    5.581200      0.7646000     -0.8123000    
 H    6.716100      0.8889000      0.5426000    


%chk=000099878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099878

0 1
Cl 4.576120 -2.572873 1.496467
S -1.287817 -0.553716 1.946447
S -2.405662 1.446034 2.056093
O 0.261395 -2.332964 -2.456642
O -2.399547 2.243674 -1.475645
O -3.833137 -2.493757 0.386585
O 3.018492 2.194367 -0.084425
O 4.829594 0.423551 1.226292
N -1.701351 0.114206 -0.800200
N 0.583913 0.925272 -1.364506
N -4.178238 -0.167358 0.484180
C 0.053800 -1.463925 -1.287405
C -0.490364 -0.022751 -1.669246
C -1.906735 -0.992461 0.106574
C -1.055117 -2.138489 -0.444765
C 1.349888 -1.133320 -0.568057
C -3.546671 1.137404 0.422111
C -2.506296 1.236018 -0.721600
C -3.386542 -1.315896 0.324566
C 1.610023 0.262019 -0.669715
C 0.753818 2.156486 -2.160056
C 2.224335 -2.005234 0.098902
C -4.510630 2.321209 0.397641
C 2.770675 0.800761 -0.061757
C -5.549352 -0.330550 1.009201
C 3.400592 -1.468039 0.660116
C 3.689362 -0.080986 0.584202
C 2.796867 2.848225 1.234096
C 5.838925 1.043570 0.332321
H -0.803934 0.054124 -2.725346
H -1.683307 -2.762853 -1.104273
H -0.651563 -2.788892 0.345532
H 1.164793 -2.154847 -2.825029
H 1.131209 1.933370 -3.181093
H 1.481969 2.807872 -1.655280
H -0.216371 2.671599 -2.235827
H 2.015217 -3.076653 0.171564
H -3.932708 3.256053 0.333871
H -5.143208 2.268602 -0.506464
H -5.150168 2.343811 1.293561
H -6.278955 0.213118 0.387928
H -5.609175 0.028034 2.053406
H -5.778854 -1.406899 0.984376
H 3.479198 2.420530 1.989738
H 1.744988 2.717779 1.548821
H 3.017910 3.914412 1.073735
H 5.394778 1.879381 -0.236080
H 6.248638 0.281052 -0.355551
H 6.631006 1.407132 1.003637


