%chk=000056168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056168

0 1
 Cl  -1.650200      -5.360400      -1.648200    
 S   0.1193000       1.221300       2.337100    
 O   -9.037500       1.722000      0.5364000    
 O    9.165400       1.566900      0.5204000    
 O   -8.631700       2.817500      -1.413300    
 O    8.788000       2.621500      -1.457500    
 N   -1.092900     -0.9131000       1.042300    
 N    1.189000     -0.9725000       1.016200    
 N   -2.928000      0.2321000      0.1295000    
 N    3.060000      7.5700000E-02  6.0500000E-02
 C  -0.6860000      -2.067400      0.3461000    
 C   0.7068000      -2.103800      0.3304000    
 C   7.2300002E-02 -0.2072000       1.473700    
 C   -2.491100     -0.5803000       1.237300    
 C    2.606900     -0.7133000       1.178700    
 C   -1.444300      -3.054700     -0.2538000    
 C    1.398800      -3.128800     -0.2860000    
 C  -0.7601000      -4.099100     -0.8820000    
 C   0.6472000      -4.135600     -0.8981000    
 C   -4.225600      0.6952000     -1.9400001E-02
 C    4.360300      0.5333000     -8.0499999E-02
 C   -4.587700       1.485600      -1.126100    
 C   -5.215800      0.3872000      0.9321000    
 C    4.738600       1.300400      -1.198200    
 C    5.337100      0.2435000      0.8903000    
 C   -5.893800       1.951800      -1.275900    
 C   -6.521900      0.8534000      0.7821000    
 C    6.047600       1.761000      -1.340200    
 C    6.646000      0.7043000      0.7484000    
 C   -6.860800       1.635700     -0.3220000    
 C    7.001100       1.463100     -0.3670000    
 C   -8.222700       2.121000     -0.4785000    
 C    8.365600       1.944000     -0.5146000    
 H   -3.077900      -1.499800       1.334700    
 H   -2.585200     -1.9800000E-02   2.173300    
 H    2.746400     -0.1592000       2.112700    
 H    3.151400      -1.659800       1.263200    
 H   -2.528100      -3.025800     -0.2478000    
 H    2.481200      -3.168800     -0.3119000    
 H   -2.246800      0.4805000     -0.5787000    
 H    2.390100      0.3062000     -0.6642000    
 H    1.168500      -4.953000      -1.391500    
 H   -3.845700       1.741300      -1.879300    
 H   -4.994800     -0.2172000       1.807900    
 H    4.007200       1.541900      -1.966400    
 H    5.103800     -0.3445000       1.774000    
 H   -6.137600       2.559800      -2.143200    
 H   -7.243500      0.5842000       1.548400    
 H    6.304100       2.350800      -2.216400    
 H    7.356900      0.4495000       1.529400    
 H   -9.953400       2.053900      0.4210000    
 H    10.08290       1.896600      0.4116000    


%chk=000056168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056168

0 1
Cl -1.597052 -4.999256 2.472629
S 0.073100 2.862875 2.716234
O -4.940472 -1.514668 -3.759157
O 5.023729 -1.575936 -3.774547
O -4.922228 0.628756 -4.656127
O 5.033527 0.569074 -4.667988
N -1.068499 0.319157 2.553234
N 1.171909 0.301299 2.544548
N -2.796727 1.671649 1.418077
N 2.918297 1.628455 1.407029
C -0.674225 -1.033088 2.509934
C 0.755352 -1.046326 2.503880
C 0.059824 1.148053 2.594015
C -2.451699 0.885762 2.576938
C 2.563989 0.844367 2.564739
C -1.420970 -2.225729 2.502304
C 1.469890 -2.257966 2.488120
C -0.681534 -3.425352 2.481597
C 0.731262 -3.464002 2.473772
C -3.237271 1.175869 0.184720
C 3.351823 1.129637 0.172842
C -3.446326 2.101748 -0.883391
C -3.509971 -0.204818 -0.045030
C 3.573403 2.054579 -0.893663
C 3.606509 -0.254161 -0.059603
C -3.920381 1.663346 -2.125234
C -3.990798 -0.636115 -1.292558
C 4.042642 1.612436 -2.135956
C 4.082610 -0.689192 -1.307565
C -4.204569 0.287441 -2.348052
C 4.309472 0.233407 -2.361158
C -4.706124 -0.126153 -3.673414
C 4.806852 -0.184351 -3.686633
H -3.149932 0.045589 2.716221
H -2.500850 1.544644 3.460649
H 2.627813 1.499467 3.450438
H 3.248551 -0.007850 2.698320
H -2.512963 -2.244910 2.527121
H 2.562920 -2.292899 2.499118
H -2.451491 2.634895 1.442576
H 2.584602 2.595807 1.433963
H 1.249419 -4.426265 2.459857
H -3.235495 3.165610 -0.721226
H -3.335734 -0.948440 0.737598
H 3.376131 3.120750 -0.729691
H 3.420754 -0.996357 0.721851
H -4.081439 2.370801 -2.945236
H -4.197547 -1.696008 -1.465713
H 4.213191 2.319327 -2.954519
H 4.275534 -1.751270 -1.483439
H -5.271309 -1.716580 -4.674773
H 5.351901 -1.780003 -4.690653


