%chk=000057949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057949

0 1
 Cl   1.640000       2.552200      0.1491000    
 S   -2.021800      0.3033000      0.6310000    
 O   0.8236000     -0.8971000       2.040200    
 N   -5.990200     -1.3900000E-02 -0.1812000    
 N    1.164300     -0.4116000     -0.2330000    
 C   -4.718500      0.5988000      0.2011000    
 C   -3.608200     -0.4438000      0.1577000    
 C    2.518300     -6.0000003E-04 -0.2714000    
 C  -0.9915000      -1.177400      0.5190000    
 C    3.502800     -0.9567000     -0.4751000    
 C   -5.897200     -0.5902000      -1.522100    
 C   -7.070100      0.9704000     -0.1217000    
 C   0.4321000     -0.8099000      0.8791000    
 C    2.842400       1.337900     -0.1064000    
 C    4.841000     -0.5652000     -0.5149000    
 C    3.172300      -2.403100     -0.6550000    
 C    4.180700       1.729200     -0.1461000    
 C    5.180000      0.7777000     -0.3504000    
 H   -4.802100      0.9936000       1.222000    
 H   -4.478000       1.442700     -0.4600000    
 H   -3.453300     -0.8433000     -0.8475000    
 H   -3.830500      -1.271800      0.8396000    
 H   -1.031900      -1.594700     -0.4922000    
 H   -1.343500      -1.938900       1.222200    
 H   -5.307000      -1.511700      -1.532200    
 H   -5.488400      0.1137000      -2.256300    
 H   -6.890600     -0.8937000      -1.875300    
 H   -8.033400      0.5007000     -0.3504000    
 H   -6.914900       1.798700     -0.8226000    
 H   -7.158400       1.385400      0.8887000    
 H   0.6383000     -0.1862000      -1.074800    
 H    5.632500      -1.293200     -0.6722000    
 H    2.746000      -2.814500      0.2657000    
 H    2.459900      -2.537300      -1.475800    
 H    4.060000      -2.996400     -0.9005000    
 H    4.462100       2.771700     -1.9600000E-02
 H    6.221900       1.082600     -0.3811000    


%chk=000057949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057949

0 1
Cl 1.890224 2.544278 1.570633
S -2.138978 0.135754 2.339025
O 1.129373 -2.255398 1.714492
N -4.661396 -0.226770 -0.957509
N 0.571913 -0.099241 0.948001
C -3.992250 0.342207 0.235893
C -2.935555 -0.630255 0.789185
C 1.685815 0.164184 0.094764
C -0.835434 -1.191758 2.666305
C 2.070463 -0.723778 -0.957343
C -3.833179 -0.161765 -2.179791
C -6.010715 0.335026 -1.178144
C 0.376629 -1.238281 1.716862
C 2.405292 1.377930 0.255832
C 3.189439 -0.375625 -1.755776
C 1.288581 -1.985353 -1.256091
C 3.500261 1.727911 -0.549184
C 3.902272 0.825709 -1.559232
H -4.760956 0.508806 1.013346
H -3.519182 1.335286 0.024985
H -2.127385 -0.819439 0.062085
H -3.408603 -1.583517 1.074453
H -1.313017 -2.184878 2.662258
H -0.467871 -0.999273 3.689653
H -2.866567 -0.670228 -2.021310
H -3.622849 0.887270 -2.510486
H -4.351924 -0.683609 -3.003281
H -6.497853 -0.196144 -2.015478
H -6.005315 1.427535 -1.422238
H -6.629982 0.186647 -0.276025
H -0.060027 0.685250 1.175708
H 3.490797 -1.058876 -2.557538
H 1.482798 -2.755923 -0.488796
H 0.198604 -1.793457 -1.241435
H 1.558196 -2.384982 -2.248028
H 4.027554 2.671279 -0.383715
H 4.759526 1.070878 -2.194482


