%chk=000034639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034639

0 1
 Cl   2.410600       4.765200       1.623500    
 S    3.017300     -0.1596000      -2.237100    
 O   -7.587700       1.430200      -1.379000    
 O  -0.2423000      0.6983000       1.821200    
 N   -2.043000     -0.9136000      0.9303000    
 N   -4.641000     -0.4796000     -0.2618000    
 N    1.461200     -0.2026000      0.4606000    
 C   -2.238500      8.2999997E-02 -0.1297000    
 C   -3.009700      -2.009300      0.7885000    
 C   -3.675100      0.6167000     -0.1196000    
 C   -4.446000      -1.474700      0.7996000    
 C  -0.6737000      -1.424400      0.9167000    
 C   -6.010600      3.0400001E-02 -0.2501000    
 C   0.2242000     -0.2223000       1.143400    
 C   -6.242200      0.9732000      -1.420000    
 C    2.088700       1.050900      9.7599998E-02
 C    2.190100      -1.397000      0.1081000    
 C    2.834000       1.185600      -1.089300    
 C    2.941200      -1.496500      -1.074100    
 C    1.978000       2.184300      0.9250000    
 C    2.220100      -2.488700      0.9964000    
 C    3.416600       2.415700      -1.436300    
 C    3.637000      -2.676900      -1.380200    
 C    2.566500       3.404400      0.5787000    
 C    2.920800      -3.658200      0.6929000    
 C    3.281900       3.521900     -0.6043000    
 C    3.621700      -3.756000     -0.5011000    
 H   -2.026000     -0.3604000      -1.113200    
 H   -1.588800      0.9586000     -4.0500000E-02
 H   -2.897200      -2.712500       1.622600    
 H   -2.832300      -2.571300     -0.1386000    
 H   -3.854200       1.186500      0.8022000    
 H   -3.732100       1.314700     -0.9598000    
 H   -5.128400      -2.319600      0.6463000    
 H   -4.672700      -1.045900       1.785300    
 H  -0.5283000      -2.121900       1.747600    
 H  -0.4473000      -1.924000     -3.1099999E-02
 H   -6.248600      0.5402000      0.6932000    
 H   -6.724000     -0.8000000     -0.3325000    
 H   -6.076400      0.4669000      -2.376900    
 H   -5.622800       1.871500      -1.377300    
 H    1.478700       2.130500       1.887400    
 H    1.715200      -2.436400       1.958000    
 H   -7.714900       2.015700      -2.144900    
 H    3.980100       2.525300      -2.360600    
 H    4.204600      -2.766100      -2.304100    
 H    2.922400      -4.486800       1.395000    
 H    3.742900       4.463300     -0.8902000    
 H    4.166800      -4.663500     -0.7421000    


%chk=000034639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034639

0 1
Cl 3.660892 4.558032 2.305423
S 3.143983 -0.018591 -2.213768
O -8.367068 0.484552 -1.172597
O -0.129653 1.395193 1.108840
N -2.083259 -0.579473 0.544250
N -4.887151 -0.474632 -0.194773
N 1.655070 0.050852 0.423421
C -2.570949 0.386152 -0.473932
C -2.935491 -1.794442 0.570461
C -4.039025 0.745511 -0.200755
C -4.400322 -1.415763 0.842932
C -0.663430 -0.918340 0.415860
C -6.334433 -0.175488 -0.075306
C 0.274179 0.271957 0.713208
C -6.942037 0.209174 -1.431052
C 2.549703 1.176379 0.272767
C 2.201826 -1.253702 0.122546
C 3.331914 1.262859 -0.907181
C 2.917019 -1.449012 -1.086311
C 2.659572 2.176763 1.266126
C 2.102872 -2.320798 1.047917
C 4.219039 2.341917 -1.100930
C 3.454941 -2.713467 -1.407434
C 3.532425 3.254884 1.038138
C 2.621657 -3.591785 0.721986
C 4.316772 3.360357 -0.127199
C 3.284364 -3.793014 -0.512126
H -2.487550 -0.041545 -1.505554
H -1.956866 1.299261 -0.413230
H -2.577116 -2.465542 1.374730
H -2.887756 -2.353851 -0.398543
H -4.099208 1.283822 0.777803
H -4.393030 1.433120 -0.989770
H -5.023536 -2.328994 0.817207
H -4.468862 -0.975035 1.869436
H -0.447025 -1.737878 1.124690
H -0.388394 -1.313485 -0.598705
H -6.545569 0.638198 0.659548
H -6.857238 -1.080455 0.284681
H -6.810988 -0.632091 -2.141827
H -6.438391 1.106811 -1.848570
H 2.053790 2.118128 2.170994
H 1.631561 -2.144815 2.020603
H -8.815245 0.722752 -2.022058
H 4.831401 2.392489 -2.006438
H 4.011832 -2.847370 -2.340447
H 2.526945 -4.416086 1.436313
H 4.991316 4.208513 -0.271222
H 3.693320 -4.776820 -0.764451


