%chk=000082341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082341

0 1
 Cl   5.687200       3.166300     -0.7350000    
 S    2.482300      -1.813400       1.448200    
 O   -8.017800     -0.5705000      0.2921000    
 O    3.447300      -2.962300       1.433800    
 N   -1.809400       1.163900      0.4010000    
 N   -4.690100       1.010400      0.2107000    
 N    1.441000      0.2130000     -0.6528000    
 C   -2.613400      0.5661000       1.473900    
 C   -2.582500       2.190900     -0.3079000    
 C   -3.917400     -1.7300000E-02  0.9191000    
 C   -3.885900       1.606300     -0.8632000    
 C  -0.5680000       1.723300      0.9326000    
 C   0.3017000       2.335200     -0.1678000    
 C   0.6953000       1.326000      -1.247900    
 C   -5.932400      0.4523000     -0.3196000    
 C    2.745900      0.4677000     -0.1738000    
 C   0.8896000      -1.084400     -0.7509000    
 C   -6.797800     -6.3000001E-02  0.8177000    
 C    3.367100     -0.4245000      0.7198000    
 C    1.340400      -2.119000      8.9800000E-02
 C    3.498900       1.579300     -0.6082000    
 C  -8.0600001E-02  -1.413900      -1.721200    
 C    4.682200     -0.1946000       1.160400    
 C   0.8241000      -3.420300     -3.8800001E-02
 C    4.807500       1.798500     -0.1710000    
 C  -0.5848000      -2.710400      -1.847800    
 C    5.400400      0.9095000      0.7131000    
 C  -0.1310000      -3.715100      -1.006400    
 H   -2.048200     -0.2444000       1.950300    
 H   -2.841800       1.307200       2.252100    
 H   -2.808500       3.039800      0.3515000    
 H   -2.044600       2.580400      -1.177000    
 H   -3.693300     -0.8678000      0.2610000    
 H   -4.453400     -0.4022000       1.791100    
 H   -4.450100       2.415600      -1.342700    
 H   -3.656400      0.8630000      -1.639100    
 H  -0.7832000       2.502100       1.676500    
 H  -2.7000001E-03  0.9452000       1.459300    
 H    1.196700       2.743400      0.3169000    
 H  -0.1716000       3.208700     -0.6287000    
 H    1.264000       1.808600      -2.050500    
 H  -0.2344000       1.041800      -1.741100    
 H   -5.746100     -0.3522000      -1.043400    
 H   -6.495700       1.223700     -0.8604000    
 H   -7.035500      0.7358000       1.528400    
 H   -6.344500     -0.8974000       1.356900    
 H    3.090300       2.295900      -1.314900    
 H  -0.4400000     -0.7049000      -2.459700    
 H    5.156900     -0.8691000       1.869700    
 H    1.152600      -4.217200      0.6247000    
 H   -1.321600      -2.933700      -2.613900    
 H    6.415700       1.064300       1.067800    
 H  -0.5209000      -4.724000      -1.099100    
 H   -8.550800     -0.8739000       1.046800    


%chk=000082341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082341

0 1
Cl 5.711107 3.104989 -1.080368
S 2.442843 -1.695802 1.743330
O -8.344426 -0.295706 0.199272
O 3.504373 -2.909661 2.182468
N -1.977313 1.429910 0.398184
N -4.853802 1.042866 0.285987
N 1.414332 0.110796 -0.557664
C -2.655814 0.439297 1.272114
C -2.897224 2.552140 0.085164
C -3.932038 -0.080183 0.590202
C -4.177233 2.030815 -0.589136
C -0.664430 1.881177 0.921110
C 0.285384 2.332981 -0.212404
C 0.587740 1.171925 -1.186390
C -6.162155 0.595702 -0.249223
C 2.743630 0.418533 -0.148383
C 1.051348 -1.266086 -0.715761
C -7.102759 0.128350 0.869885
C 3.427278 -0.396505 0.791130
C 1.541161 -2.254308 0.175987
C 3.472862 1.503929 -0.713158
C 0.259803 -1.725543 -1.806007
C 4.778535 -0.224721 1.117507
C 1.330951 -3.628555 0.000351
C 4.814320 1.696401 -0.342012
C -0.001470 -3.102355 -1.971751
C 5.502856 0.845306 0.544887
C 0.543259 -4.064254 -1.088793
H -1.965433 -0.405778 1.450680
H -2.932474 0.881505 2.261534
H -3.180455 3.109791 1.013172
H -2.391466 3.260291 -0.596758
H -3.642339 -0.629777 -0.341848
H -4.436484 -0.796498 1.263324
H -4.866430 2.876349 -0.769823
H -3.904014 1.587543 -1.581036
H -0.774617 2.707234 1.665638
H -0.195592 1.031328 1.452598
H 1.214729 2.739193 0.228631
H -0.176070 3.155333 -0.792883
H 1.056243 1.543736 -2.120728
H -0.388195 0.730642 -1.444950
H -6.060198 -0.224250 -1.000784
H -6.645455 1.446732 -0.762802
H -7.282183 0.968310 1.571529
H -6.654669 -0.715895 1.435408
H 3.016039 2.164137 -1.453329
H -0.120033 -1.016271 -2.546656
H 5.248816 -0.926212 1.816364
H 1.785484 -4.329528 0.710380
H -0.614450 -3.426974 -2.819819
H 6.552583 1.020201 0.792157
H 0.354435 -5.131088 -1.242933
H -9.008190 -0.572792 0.878806


