%chk=000006098.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006098

0 1
 Cl   2.482000      -1.635800       2.479500    
 S   -1.281300       1.001300      -1.567800    
 O   -1.635400      4.3900002E-02   2.718300    
 O   -5.325600     -0.9998000     -0.1037000    
 O   -5.079800      0.8265000       1.238000    
 O    1.587400       2.842300     -0.3839000    
 O    5.038200      0.4232000     -0.5387000    
 N   -2.479900      0.9999000      0.7325000    
 N   0.6972000       1.062000      0.7791000    
 N    4.355400     -0.7869000     -0.5155000    
 C   -1.597800       1.906000     -8.8000000E-03
 C   -2.966300      0.2107000      -1.496100    
 C   -3.188600     -3.7799999E-02  1.1300000E-02
 C  -0.5710000       1.723400       1.117100    
 C   -1.612000      0.7885000       1.764600    
 C   -3.969900       1.179300      -2.136700    
 C   -2.933000      -1.103000      -2.279100    
 C   -4.613500      4.6999999E-03  0.4631000    
 C    1.703200       1.691000      3.5200000E-02
 C    2.926100      0.9104000     -0.1954000    
 C    3.077400     -0.4588000     -0.3056000    
 C    4.158000       1.438100     -0.3435000    
 C    2.069000      -1.482800     -0.2228000    
 C    4.721500       2.795100     -0.3398000    
 C    1.724200      -2.080900      0.9894000    
 C    1.429200      -1.872700      -1.399400    
 C   0.7401000      -3.068800       1.024800    
 C   0.4449000      -2.860400      -1.364100    
 C   0.1004000      -3.458400     -0.1519000    
 H   -2.016000       2.910800     -0.1179000    
 H   -2.764700     -0.9996000      0.3305000    
 H  -0.4019000       2.626400       1.716000    
 H   -4.049300       2.121000      -1.582100    
 H   -3.689300       1.421100      -3.168900    
 H   -4.973100      0.7409000      -2.179300    
 H   -2.648400     -0.9420000      -3.325500    
 H   -2.228600      -1.818300      -1.845000    
 H   -3.917500      -1.583300      -2.284100    
 H   0.8892000      0.1612000       1.197900    
 H   -6.264500     -0.9887000      0.1799000    
 H    5.815000       2.774500     -0.2947000    
 H    4.430900       3.332600      -1.247700    
 H    4.363000       3.361800      0.5253000    
 H    1.683300      -1.417500      -2.354000    
 H   0.4582000      -3.544100       1.960900    
 H  -5.1600002E-02  -3.165000      -2.280700    
 H  -0.6668000      -4.226600     -0.1246000    


%chk=000006098-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006098

0 1
Cl 2.432253 -1.288384 2.630685
S -1.581863 0.716335 -1.863206
O -1.478191 -0.404215 2.280367
O -5.952353 -0.377689 0.240302
O -5.355787 1.803304 0.794385
O 1.984844 2.806031 1.050643
O 5.312075 0.627211 -0.650203
N -2.569602 0.979690 0.604669
N 0.754735 0.971505 0.318622
N 4.661985 -0.695294 -0.688192
C -1.660500 1.759467 -0.273990
C -3.450058 0.217244 -1.590806
C -3.635232 0.182851 -0.000686
C -0.500773 1.510968 0.768215
C -1.516481 0.508375 1.440228
C -4.330203 1.287183 -2.272915
C -3.673350 -1.178554 -2.199509
C -5.029985 0.668950 0.402036
C 1.955831 1.644989 0.530476
C 3.182814 0.940232 0.074203
C 3.403408 -0.460242 -0.245667
C 4.401672 1.570720 -0.178300
C 2.467336 -1.612258 -0.160342
C 4.881951 2.976328 -0.059830
C 1.934521 -2.077196 1.070437
C 2.096488 -2.305510 -1.344583
C 1.034602 -3.157795 1.132654
C 1.207791 -3.400438 -1.299499
C 0.670082 -3.820393 -0.061369
H -1.952169 2.794209 -0.495918
H -3.534145 -0.861538 0.349477
H -0.289780 2.405460 1.379279
H -4.188806 2.286725 -1.827310
H -4.075816 1.349282 -3.343794
H -5.401284 1.019033 -2.190851
H -3.537034 -1.155979 -3.295001
H -2.972095 -1.918759 -1.776137
H -4.706047 -1.512676 -1.988657
H 0.754565 0.057180 -0.140854
H -6.861665 -0.061943 0.495234
H 5.728021 3.037347 0.648587
H 5.235294 3.357532 -1.034718
H 4.059638 3.603034 0.316530
H 2.518405 -1.969488 -2.297104
H 0.631401 -3.472792 2.098711
H 0.937515 -3.920129 -2.224097
H -0.026005 -4.664511 -0.016105


