%chk=000044420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044420

0 1
 Cl   5.726800       1.522800      -1.086800    
 S   0.4892000     -0.3591000       1.890600    
 O   -1.977300      -4.814400      -1.166100    
 N   -1.332700      0.9886000     -0.3067000    
 N   -3.316500       3.067700      9.7000003E-03
 C  -0.6835000     -8.8399999E-02  -1.051600    
 C   -1.225000       2.261500      -1.030100    
 C   -2.740500      0.6658000     -4.3699998E-02
 C   -1.908800       3.391300     -0.2526000    
 C   -3.423100       1.795800      0.7347000    
 C   0.7538000      0.2662000      -1.466700    
 C  -0.7527000      -1.437900     -0.3670000    
 C    1.896700      0.4088000     -0.4785000    
 C  -0.2241000      -1.664600      0.9146000    
 C   -3.967000       4.145000      0.7529000    
 C   -1.337200      -2.516500      -1.056000    
 C    1.887600      0.1538000      0.9050000    
 C    3.115200      0.8304000      -1.065200    
 C  -0.3011000      -2.944000       1.486100    
 C   -1.403500      -3.786300     -0.4833000    
 C    3.073200      0.3440000       1.647900    
 C  -0.8851000      -4.000000      0.7882000    
 C    4.278700       1.006200     -0.3188000    
 C    4.256700      0.7631000       1.043500    
 H   -1.230000     -0.1874000      -2.003000    
 H   -1.656800       2.188500      -2.037200    
 H  -0.1844000       2.584800      -1.127300    
 H   -2.838600     -0.2389000      0.5664000    
 H   -3.285100      0.4880000     -0.9813000    
 H   -1.368200       3.573700      0.6864000    
 H   -1.845200       4.309500     -0.8492000    
 H   -4.479700       1.533500      0.8680000    
 H   -2.977400       1.876300       1.735600    
 H   0.7580000       1.133200      -2.139100    
 H    1.074700     -0.5597000      -2.124100    
 H   -5.028000       3.919400      0.9070000    
 H   -3.924100       5.082500      0.1873000    
 H   -3.504300       4.311800       1.732400    
 H   -1.745600      -2.369000      -2.053900    
 H    3.145200       1.022800      -2.138000    
 H   9.1499999E-02  -3.133700       2.482900    
 H    3.090800      0.1637000       2.722200    
 H  -0.9312000      -4.982200       1.250700    
 H    5.147600      0.8943000       1.651700    
 H   -1.936400      -5.617900     -0.6194000    


%chk=000044420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044420

0 1
Cl 4.973521 3.046630 -0.870375
S 0.576541 -0.796546 1.885734
O -2.522497 -4.920912 -1.281601
N -1.163957 0.788799 -0.439909
N -2.877080 3.068634 0.123431
C -0.634441 -0.380111 -1.188912
C -1.025838 2.063915 -1.189521
C -2.572269 0.610638 -0.000752
C -1.476244 3.249397 -0.320560
C -3.013602 1.796302 0.870246
C 0.881088 -0.216558 -1.538644
C -0.856395 -1.707009 -0.462848
C 1.792855 0.428573 -0.498781
C -0.280921 -2.004401 0.802330
C -3.382691 4.227337 0.882428
C -1.585994 -2.718588 -1.125617
C 1.770147 0.200073 0.905338
C 2.792026 1.307146 -1.005347
C -0.460483 -3.283802 1.379551
C -1.771726 -3.991317 -0.542365
C 2.717548 0.841668 1.748228
C -1.210563 -4.280814 0.722183
C 3.716891 1.930405 -0.154749
C 3.696909 1.712862 1.234417
H -1.162296 -0.477905 -2.175658
H -1.636886 2.048310 -2.128537
H 0.031278 2.217840 -1.464889
H -2.650783 -0.319196 0.587923
H -3.263745 0.527049 -0.877347
H -0.775299 3.336580 0.549021
H -1.406984 4.182222 -0.911582
H -4.074164 1.664777 1.156665
H -2.397119 1.798515 1.805440
H 0.966640 0.375315 -2.468108
H 1.261806 -1.225538 -1.791859
H -4.445465 4.067787 1.139680
H -3.314548 5.138191 0.260384
H -2.821386 4.415662 1.833396
H -2.030161 -2.522506 -2.107059
H 2.835332 1.497366 -2.083116
H -0.000252 -3.504790 2.348180
H 2.693070 0.650517 2.826927
H -1.337648 -5.267539 1.184926
H 4.420245 2.197141 1.895938
H -2.601858 -5.779119 -0.796029


