%chk=000088271.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088271

0 1
 Cl  0.1506000      -4.522000     -0.7442000    
 S   0.7032000       1.018800      0.8701000    
 S   -4.476300     -0.6568000      0.7557000    
 O   0.1268000      0.8542000      -1.707400    
 N    4.718600      0.5093000      0.7102000    
 N   -1.598100      0.3188000     -0.2266000    
 N   -3.340900      -2.968400      0.3136000    
 C    5.019000       1.369900     -0.4344000    
 C    4.780100     -0.8992000      0.3180000    
 C    3.406100      0.8305000       1.262600    
 C    6.391900       1.029100      -1.006900    
 C    4.953100       2.831400     -2.0000001E-03
 C    3.722300      -1.200500     -0.7399000    
 C    4.588900      -1.778200       1.550000    
 C    2.333200      0.6243000      0.2006000    
 C  -0.3054000      0.7398000     -0.5646000    
 C   -2.650700       1.294600     -8.5299999E-02
 C   -1.874200      -1.090800     -0.1434000    
 C   -3.949600      0.9761000      0.3329000    
 C   -3.098800      -1.629700      0.2438000    
 C   -2.386900       2.648000     -0.4017000    
 C  -0.8608000      -2.025500     -0.4385000    
 C   -4.926400       1.985200      0.4494000    
 C   -3.361500       3.641900     -0.2863000    
 C   -4.634500       3.310300      0.1440000    
 C   -1.087900      -3.396300     -0.3725000    
 C   -2.341800      -3.815000      2.6000000E-03
 H    4.338700       1.286500      -1.284500    
 H    5.776100      -1.158500     -5.5300001E-02
 H    3.379600       1.852700       1.657600    
 H    3.192400      0.2327000       2.156200    
 H    6.724900       1.813300      -1.697400    
 H    7.153500      0.9529000     -0.2222000    
 H    6.389100      0.1025000      -1.589800    
 H    3.928100       3.189500      0.1366000    
 H    5.390700       3.478000     -0.7721000    
 H    5.518800       3.010200      0.9199000    
 H    4.238100      -1.925200      -1.397700    
 H    2.909800      -1.856700     -0.4011000    
 H    3.455200     -0.4708000      -1.505700    
 H    5.239400      -1.463000       2.373900    
 H    4.861300      -2.812500       1.306900    
 H    3.556300      -1.813200       1.912000    
 H    2.029300     -0.3876000      2.8700000E-02
 H    2.436600       1.233500     -0.6962000    
 H   -1.407300       2.967600     -0.7497000    
 H   0.1287000      -1.698300     -0.7481000    
 H   -5.935900       1.746700      0.7808000    
 H   -3.119400       4.671000     -0.5348000    
 H   -5.399100       4.075000      0.2381000    
 H   -2.597400      -4.867100      7.5599998E-02


%chk=000088271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088271

0 1
Cl -2.933161 -0.870554 -4.888192
S 0.742836 0.293637 1.570147
S -3.924040 -1.530735 1.391875
O 0.292888 -0.609309 -0.984740
N 4.473774 0.678751 -0.422940
N -1.632517 0.093618 0.152009
N -4.432897 -1.937772 -1.255173
C 4.548086 -0.368441 -1.494909
C 5.639959 0.740866 0.512636
C 3.134009 0.958130 0.128747
C 5.920027 -0.338538 -2.211918
C 3.428053 -0.176634 -2.545379
C 5.902575 -0.547217 1.352258
C 5.584168 1.979898 1.432782
C 2.457066 -0.205679 0.909516
C -0.240295 -0.122484 0.043477
C -2.259551 0.754022 1.280207
C -2.505465 -0.499165 -0.828731
C -3.331750 0.115681 1.949729
C -3.604036 -1.296780 -0.403173
C -1.869788 2.058876 1.665315
C -2.296067 -0.346528 -2.217813
C -3.965743 0.747552 3.041753
C -2.487535 2.680578 2.770117
C -3.527940 2.021071 3.465681
C -3.166676 -1.021968 -3.093932
C -4.215176 -1.821208 -2.594439
H 4.424527 -1.393883 -1.062452
H 6.525598 0.884347 -0.135051
H 2.460670 1.245180 -0.697333
H 3.200474 1.837431 0.791437
H 5.902024 -1.042698 -3.063016
H 6.124524 0.675451 -2.602872
H 6.757037 -0.638915 -1.557332
H 2.418440 -0.347841 -2.136079
H 3.575060 -0.899834 -3.368083
H 3.475744 0.843502 -2.970389
H 6.885416 -0.477941 1.856249
H 5.136177 -0.689689 2.135960
H 5.914968 -1.451129 0.716173
H 5.375315 2.892782 0.846653
H 6.560600 2.107234 1.934728
H 4.819406 1.884959 2.226102
H 3.010799 -0.493161 1.817875
H 2.297216 -1.091142 0.272820
H -1.075709 2.567977 1.111806
H -1.464945 0.253215 -2.591253
H -4.801448 0.250898 3.545136
H -2.166445 3.680951 3.077048
H -4.014244 2.504654 4.319119
H -4.884507 -2.373015 -3.260656


