%chk=000114978.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114978

0 1
 Cl   5.193500      0.9026000       1.524800    
 Cl   5.717400      -4.406400      0.8151000    
 S   0.2215000      0.3651000      -3.675400    
 O    1.462100      0.4524000     -0.8076000    
 O    3.183300       1.751300      0.1073000    
 O   -6.065200      -1.512600       1.178000    
 O   -5.605800      0.4352000      7.0799999E-02
 N   0.6630000       1.959400       1.470900    
 N  -4.9999999E-03   4.071000       1.633300    
 N   -4.191600      -1.430600     -7.0799999E-02
 C    2.364800      0.5817000      0.3098000    
 C    1.987900       1.325000      -1.810000    
 C    2.593500       2.438900     -0.9962000    
 C    1.524200      0.7879000       1.569400    
 C    3.235000     -0.6584000      0.4502000    
 C   0.8918000       1.775700      -2.751300    
 C    4.520100     -0.5938000      0.9887000    
 C    2.717600      -1.882000      2.5200000E-02
 C  -0.6139000       1.986200      0.9852000    
 C   0.9851000       3.233500       1.847900    
 C    5.287800      -1.752800       1.102300    
 C    3.485400      -3.041000      0.1387000    
 C    4.770400      -2.976400      0.6772000    
 C   -1.005100       3.299900       1.096100    
 C   -1.100300     -0.1721000      -2.595200    
 C   -1.088500      -1.463200      -2.067500    
 C   -2.143000      0.6999000      -2.281700    
 C   -2.119200      -1.882500      -1.226500    
 C   -3.173800      0.2806000      -1.440800    
 C   -3.161900      -1.010600     -0.9132000    
 C   -5.309200     -0.7183000      0.3575000    
 C   -7.257200     -0.9181000       1.704600    
 C   -7.964800      -1.927500       2.583200    
 H    2.777800      0.7823000      -2.346300    
 H    1.856200       3.162100     -0.6442000    
 H    3.365400       2.984900      -1.546300    
 H    2.148800      0.9345000       2.458900    
 H   0.8634000     -6.7699999E-02   1.757000    
 H    1.303200       2.482000      -3.480200    
 H   9.4599999E-02   2.294900      -2.211600    
 H    1.715500      -1.965000     -0.3853000    
 H   -1.116600       1.100000      0.6284000    
 H    1.947400       3.490300       2.269700    
 H    6.290400      -1.704300       1.521900    
 H    3.068200      -3.988100     -0.1941000    
 H   -1.957000       3.728300      0.8183000    
 H  -0.2835000      -2.156000      -2.300000    
 H   -2.178300       1.707100      -2.689800    
 H   -2.096500      -2.891100     -0.8216000    
 H   -3.947500       1.009700      -1.243800    
 H   -4.118400      -2.383400      0.2777000    
 H   -7.913100     -0.6224000      0.8783000    
 H   -6.993400     -3.3700000E-02   2.295300    
 H   -8.218500      -2.825800       2.010700    
 H   -7.314300      -2.247000       3.404000    
 H   -8.882100      -1.505500       3.003300    


%chk=000114978-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114978

0 1
Cl 4.698679 0.547565 2.574878
Cl 5.552101 -4.644441 0.932292
S 0.113146 0.451725 -3.843438
O 1.472407 0.512332 -0.849293
O 3.262651 1.742921 0.086226
O -6.059525 -1.710996 1.284886
O -5.734770 0.351296 0.191689
N 0.718023 2.169517 1.431591
N 0.370920 4.411325 1.531933
N -4.249224 -1.486608 -0.043930
C 2.340658 0.609169 0.329756
C 2.074038 1.336434 -1.935414
C 2.793563 2.443759 -1.134351
C 1.407742 0.885739 1.544000
C 3.167704 -0.671006 0.513491
C 0.957866 1.833562 -2.846219
C 4.212717 -0.814285 1.458697
C 2.865084 -1.798618 -0.291587
C -0.503817 2.413534 0.783412
C 1.206653 3.406545 1.859524
C 4.946832 -2.009567 1.595919
C 3.576243 -3.011165 -0.181344
C 4.613307 -3.095632 0.765616
C -0.702554 3.793583 0.859994
C -1.198578 -0.094548 -2.666766
C -1.161501 -1.403187 -2.133606
C -2.275706 0.758523 -2.334031
C -2.186332 -1.848051 -1.275679
C -3.297206 0.334822 -1.458693
C -3.256760 -0.981479 -0.923280
C -5.369919 -0.824454 0.439571
C -7.302641 -1.161722 1.901654
C -7.887921 -2.270128 2.770009
H 2.802408 0.716387 -2.495307
H 2.104506 3.264995 -0.861204
H 3.689624 2.839393 -1.637285
H 2.007320 0.877364 2.468496
H 0.667709 0.068907 1.596939
H 1.367313 2.518472 -3.609361
H 0.184102 2.358089 -2.262156
H 2.054239 -1.695773 -1.018758
H -1.093604 1.613019 0.344399
H 2.154508 3.508759 2.382046
H 5.752844 -2.085751 2.329457
H 3.330256 -3.866209 -0.816512
H -1.543986 4.376496 0.492811
H -0.331093 -2.069465 -2.387893
H -2.328555 1.762471 -2.769602
H -2.150966 -2.867895 -0.872347
H -4.126012 0.997493 -1.201590
H -4.144828 -2.448966 0.285063
H -7.987090 -0.853455 1.090769
H -7.033757 -0.263759 2.486777
H -8.131540 -3.159983 2.164793
H -7.179440 -2.568052 3.561704
H -8.816241 -1.912901 3.251555


