%chk=000040609.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040609

0 1
 Cl  -3.952300      0.3577000      -2.465700    
 S    1.183000      -2.501200       1.435800    
 O    4.839100      -2.494900      0.2354000    
 O    1.115100       2.303800       2.139500    
 O  -0.6261000       3.534400      0.3573000    
 N    2.737700      -1.754900     -0.4758000    
 N   0.4313000      -1.234300     -0.7651000    
 N  -0.7583000      -1.408500     -6.6699997E-02
 C    3.185900      -1.158400      -1.726600    
 C    3.583800      0.3070000      -1.567500    
 C    2.459000       1.169400      -1.049700    
 C    3.628400      -2.367800      0.3962000    
 C    1.417300      -1.736600     -0.1056000    
 C    2.934500      -2.889900       1.627800    
 C    2.306500       1.338500      0.3176000    
 C    1.598100       1.776700      -1.950400    
 C    1.266400       2.135400      0.7963000    
 C   0.5582000       2.573500      -1.471700    
 C   0.3924000       2.752900     -9.8399997E-02
 C    1.804100       3.400400       2.737000    
 C   -1.871800       2.889800      0.6160000    
 C   -1.751600     -0.9056000     -0.7249000    
 C   -3.132400     -0.9494000     -0.2149000    
 C   -4.186700     -0.4055000     -0.9340000    
 C   -3.343200      -1.557900       1.014600    
 C   -5.479200     -0.4712000     -0.4133000    
 C   -4.635600      -1.623400       1.535300    
 C   -5.703500      -1.080000      0.8214000    
 H    2.386800      -1.251500      -2.471600    
 H    4.049300      -1.724000      -2.095400    
 H    4.442100      0.3891000     -0.8875000    
 H    3.933100      0.6971000      -2.531800    
 H    3.337200      -2.392800       2.513800    
 H    3.076700      -3.971100       1.699000    
 H    2.987900      0.8637000       1.018600    
 H    1.717400       1.640300      -3.021300    
 H  -0.1197000       3.050600      -2.174300    
 H    1.578100       3.404900       3.806800    
 H    2.885400       3.289900       2.607900    
 H    1.468600       4.348200       2.304400    
 H   -2.294000       2.493100     -0.3123000    
 H   -1.748000       2.084200       1.346800    
 H   -2.563100       3.631100       1.025900    
 H   -1.567000     -0.4242000      -1.700300    
 H   -2.534800      -1.990800       1.596700    
 H   -6.322400     -5.2499998E-02 -0.9568000    
 H   -4.810700      -2.097300       2.496800    
 H   -6.709700      -1.131000       1.227200    


%chk=000040609-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040609

0 1
Cl -4.168119 -0.089976 -2.951135
S 1.092812 -2.512433 1.656203
O 4.815567 -2.261272 0.185499
O 1.728311 2.533158 2.250267
O -0.368779 3.722028 0.577443
N 2.606231 -1.812006 -0.470990
N 0.286585 -1.490421 -0.847357
N -0.979688 -1.612264 -0.221145
C 3.004506 -1.274807 -1.796517
C 3.580816 0.167741 -1.704258
C 2.596264 1.163412 -1.113009
C 3.582616 -2.251624 0.438852
C 1.268165 -1.863178 -0.060637
C 2.971323 -2.713218 1.760342
C 2.614646 1.450494 0.273440
C 1.611465 1.786673 -1.920654
C 1.659397 2.311073 0.854380
C 0.638296 2.631168 -1.346782
C 0.635197 2.877988 0.042705
C 1.919900 3.948517 2.645119
C -1.283908 3.044376 1.527619
C -1.970986 -1.184844 -0.979424
C -3.352710 -1.225624 -0.488626
C -4.447421 -0.764841 -1.269850
C -3.655733 -1.734643 0.811701
C -5.775964 -0.799088 -0.807413
C -4.975775 -1.776982 1.291797
C -6.041439 -1.309280 0.482802
H 2.105247 -1.300275 -2.431617
H 3.775008 -1.951686 -2.206045
H 4.513208 0.133309 -1.112827
H 3.859246 0.460092 -2.734977
H 3.362483 -2.098329 2.585819
H 3.222726 -3.770140 1.939135
H 3.382528 1.021667 0.927620
H 1.589828 1.592417 -2.999516
H -0.143481 3.098526 -1.954351
H 1.895183 3.950822 3.745549
H 2.903466 4.310450 2.289750
H 1.116396 4.586133 2.235390
H -1.843882 2.243044 1.009084
H -0.723516 2.616800 2.378723
H -1.978155 3.825401 1.873393
H -1.778271 -0.784382 -1.986451
H -2.816341 -2.090362 1.417564
H -6.586204 -0.434195 -1.444807
H -5.180691 -2.172711 2.291947
H -7.073051 -1.339710 0.848748


