%chk=000026618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026618

0 1
 Cl   5.238500     -0.8692000     -0.2814000    
 S    3.529000       1.873400     -0.4124000    
 O   0.8990000      -3.317200      0.5885000    
 O   -1.180500      -1.816400       1.237800    
 O    4.778100       1.649600      -1.122400    
 O    2.523600       2.763700     -0.9704000    
 N   -1.399600      3.9299998E-02 -0.1811000    
 N    3.878500       2.366600       1.184500    
 C   -2.794900      0.2831000     -0.1671000    
 C   0.7608000     -0.9394000      0.3034000    
 C   -3.603300     -0.3392000      -1.105800    
 C   -3.326300       1.139100      0.7849000    
 C    2.781500      0.3161000     -0.1181000    
 C    1.399400      0.2777000      6.5600000E-02
 C  -0.6832000     -0.9577000      0.4935000    
 C    1.504600      -2.118100      0.3577000    
 C    3.525300     -0.8628000     -6.3900001E-02
 C   -4.977300     -9.9399999E-02  -1.091900    
 C   -4.700300       1.378800      0.7987000    
 C    2.886900      -2.079800      0.1740000    
 C   -5.526000      0.7596000     -0.1397000    
 C   -3.045700      -1.264500      -2.138400    
 C   -2.468300       1.816800       1.803800    
 H  -0.9157000      0.5503000     -0.9161000    
 H   0.8370000       1.207200      6.3100003E-02
 H   -5.635500     -0.5740000      -1.815100    
 H   -5.144700       2.044300       1.534100    
 H    3.464600      -3.000500      0.2172000    
 H   -6.595900      0.9459000     -0.1286000    
 H   -2.272100     -0.7620000      -2.728500    
 H   -2.618200      -2.153600      -1.663300    
 H   -3.815500      -1.604800      -2.839500    
 H   -2.027900       1.079200       2.482500    
 H   -1.667600       2.384400       1.317700    
 H   -3.040500       2.525000       2.412900    
 H    4.863300       2.374900       1.476800    
 H    3.321300       3.133900       1.579800    
 H    1.572400      -4.018900      0.5907000    


%chk=000026618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026618

0 1
Cl 5.352923 -0.925775 -0.020084
S 3.635660 1.985887 -0.489950
O 0.725348 -3.173938 0.851517
O -1.257573 -1.188755 1.829721
O 4.554302 1.802584 -1.814634
O 2.433221 3.084062 -0.438144
N -1.492193 -0.081524 -0.231274
N 4.687309 2.345971 0.962614
C -2.909784 0.171531 -0.207590
C 0.725285 -0.801100 0.468132
C -3.680666 -0.296829 -1.313671
C -3.502445 0.908028 0.858942
C 2.833807 0.341286 -0.020751
C 1.438898 0.373763 0.150021
C -0.759713 -0.732553 0.763004
C 1.454023 -2.018707 0.602627
C 3.549697 -0.855002 0.137351
C -5.069296 -0.033118 -1.330117
C -4.901277 1.134083 0.807956
C 2.862590 -2.042100 0.445267
C -5.682385 0.670415 -0.270363
C -3.029942 -1.077554 -2.442815
C -2.686171 1.467906 2.004586
H -1.011526 0.069496 -1.122711
H 0.926031 1.338124 0.053402
H -5.671283 -0.393009 -2.172488
H -5.372958 1.695488 1.622687
H 3.424007 -2.976444 0.555247
H -6.760731 0.862388 -0.289989
H -2.327521 -0.456020 -3.035248
H -2.458226 -1.943493 -2.059697
H -3.792317 -1.455701 -3.143800
H -2.391217 0.664098 2.703413
H -1.751355 1.937310 1.644680
H -3.260716 2.228348 2.559901
H 5.673151 2.143920 0.733794
H 4.508279 3.321121 1.252717
H 1.309565 -3.962788 0.979246


