%chk=000047688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047688

0 1
 Cl   1.419700       2.033500      -1.874900    
 S    5.654500     -0.7680000     -3.2000002E-02
 F   -4.697300       1.657200      0.4798000    
 O  -9.8800004E-02   2.712800      0.7276000    
 O    5.856600      -2.116600      0.4787000    
 O    6.163500     -0.4092000      -1.348400    
 N   -2.371900      0.1726000      0.1087000    
 N  -0.1467000      0.4207000      0.1666000    
 N    6.255300      0.3504000       1.111600    
 C   -1.176300     -0.5702000     -7.4000001E-02
 C   -2.199100       1.540100      0.4438000    
 C  -0.6949000       1.675400      0.4746000    
 C    1.216700      0.1605000      0.1002000    
 C   -3.647900     -0.4115000     -3.0900000E-02
 C    2.044000      0.8362000     -0.7970000    
 C    1.754500     -0.8006000      0.9565000    
 C    3.946300     -0.4101000      1.8400000E-02
 C   -4.795000      0.3586000      0.1615000    
 C   -3.762000      -1.761800     -0.3620000    
 C    3.408800      0.5509000     -0.8379000    
 C    3.119100      -1.085800      0.9156000    
 C   -6.056000     -0.2216000      2.2600001E-02
 C   -5.023000      -2.341800     -0.5007000    
 C   -6.169900      -1.571800     -0.3084000    
 H   -1.071700      -1.380100      0.6557000    
 H   -1.060500     -0.9464000      -1.096600    
 H   -2.579400       1.789000       1.439800    
 H   -2.582300       2.221100     -0.3230000    
 H    1.128200      -1.331000       1.669200    
 H   -2.896000      -2.397300     -0.5210000    
 H    4.049800       1.085500      -1.534600    
 H    3.517700      -1.831900       1.597200    
 H   -6.948800      0.3782000      0.1724000    
 H   -5.112400      -3.393100     -0.7586000    
 H   -7.151600      -2.023400     -0.4164000    
 H    6.800400       1.146600      0.7589000    
 H    6.592800     -1.9600000E-02   2.008500    


%chk=000047688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047688

0 1
Cl 1.296596 1.797147 -2.116995
S 5.762270 -0.816004 -0.032103
F -4.964345 1.623338 0.666808
O -0.027506 2.781696 0.878232
O 5.970956 -2.287256 0.630478
O 6.257379 -0.419828 -1.531767
N -2.472836 0.236870 0.213585
N -0.186398 0.499662 0.263297
N 6.507134 0.358825 1.160467
C -1.224522 -0.502356 -0.033256
C -2.226886 1.659237 0.515670
C -0.700574 1.767559 0.583148
C 1.203487 0.190457 0.179303
C -3.707530 -0.374293 -0.006328
C 2.022909 0.744854 -0.839470
C 1.787764 -0.686523 1.127649
C 3.923988 -0.400655 0.067325
C -4.957376 0.278370 0.205558
C -3.792953 -1.730729 -0.452510
C 3.401426 0.464352 -0.903519
C 3.160445 -1.000524 1.079927
C -6.197487 -0.330867 -0.007910
C -5.034941 -2.362748 -0.667613
C -6.248131 -1.672690 -0.451538
H -1.134598 -1.389565 0.630870
H -1.140197 -0.850132 -1.087530
H -2.665976 1.975415 1.477149
H -2.611236 2.340868 -0.267322
H 1.155552 -1.100669 1.919446
H -2.875916 -2.298471 -0.637071
H 4.036085 0.869359 -1.697708
H 3.620690 -1.687364 1.795972
H -7.105731 0.249674 0.180481
H -5.048941 -3.402865 -1.010153
H -7.212271 -2.160468 -0.620290
H 6.993249 1.110073 0.644655
H 7.122821 -0.176250 1.794562


