%chk=000052508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052508

0 1
 Cl   5.786000      -1.876700     -0.2316000    
 S    5.196700       1.293000      2.8500000E-02
 O  -2.4400000E-02   1.165700      0.9451000    
 O    4.721700       2.480800      0.7198000    
 O    6.431800      0.6507000      0.4487000    
 N   -2.110100     -0.3340000     -7.2200000E-02
 N  -0.7928000     -0.7241000     -0.1602000    
 N    5.286800       1.622500      -1.644400    
 C   -4.226900     -0.2587000      -1.133000    
 C   -4.361600      -1.015600      0.2079000    
 C   -4.928200       1.089800     -0.8323000    
 C   -5.121800      1.4000000E-03   1.095800    
 C   -4.596800       1.360700      0.6349000    
 C   -6.444500      0.8225000     -0.7411000    
 C   -6.578600      6.9399998E-02  0.5938000    
 C   -2.722100     -0.1825000      -1.392600    
 C   -2.925400      -1.324500      0.6318000    
 C   0.1838000      9.4800003E-02  0.3800000    
 C    1.583200     -0.3825000      0.2266000    
 C    2.604000      0.5446000      0.2006000    
 C    1.815000      -1.737400      0.1167000    
 C    3.917100      9.5899999E-02  5.8100000E-02
 C    3.128000      -2.186200     -2.5699999E-02
 C    4.179100      -1.269600     -5.5100001E-02
 H   -4.722600     -0.7864000      -1.955900    
 H   -4.929000      -1.947300      0.1004000    
 H   -4.670700       1.891000      -1.528000    
 H   -5.041600     -0.1947000       2.167000    
 H   -3.537300       1.528500      0.8359000    
 H   -5.162700       2.201500       1.052600    
 H   -6.823100      0.2369000      -1.584800    
 H   -7.004800       1.763600     -0.7005000    
 H   -7.204200      0.6420000       1.288000    
 H   -7.029300     -0.9198000      0.4656000    
 H   -2.434600      -1.008200      -2.057700    
 H   -2.430800      0.7577000      -1.872200    
 H   -2.791100      -1.267000       1.716900    
 H   -2.671100      -2.343600      0.3099000    
 H  -0.5883000      -1.572300     -0.6786000    
 H    2.386500       1.606000      0.2750000    
 H    1.029500      -2.483900      0.1689000    
 H    3.315800      -3.254100     -0.1049000    
 H    4.943700       2.534200      -1.970500    
 H    6.111200       1.282300      -2.154200    


%chk=000052508-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052508

0 1
Cl 5.972834 -1.777707 -0.063713
S 5.215127 1.541755 -0.174481
O -0.124112 1.297690 0.713342
O 4.380900 2.922201 -0.377237
O 6.331636 1.391065 0.991861
N -2.207409 -0.436937 -0.134017
N -0.836817 -0.747939 -0.195759
N 5.944094 1.175328 -1.816233
C -4.347730 -0.116322 -1.168180
C -4.498597 -1.090827 0.085231
C -5.033868 1.192970 -0.667499
C -5.228645 -0.192104 1.132799
C -4.643938 1.221041 0.839730
C -6.568992 0.926258 -0.591188
C -6.705045 -0.023358 0.658953
C -2.825487 -0.011906 -1.426964
C -3.055826 -1.509756 0.454955
C 0.130855 0.146522 0.263842
C 1.550851 -0.371262 0.167510
C 2.585217 0.587991 0.039542
C 1.890756 -1.744727 0.260663
C 3.915697 0.156279 -0.021504
C 3.236682 -2.165013 0.200172
C 4.257311 -1.205303 0.047907
H -4.860657 -0.505421 -2.065903
H -5.104743 -1.984338 -0.148866
H -4.762557 2.083283 -1.259104
H -5.129969 -0.557653 2.168820
H -3.557661 1.294145 1.009146
H -5.164462 2.019748 1.398820
H -6.956503 0.464877 -1.518523
H -7.119958 1.871420 -0.436351
H -7.314810 0.446561 1.451697
H -7.176125 -0.991807 0.408225
H -2.519340 -0.689596 -2.261384
H -2.495045 1.011980 -1.673909
H -2.884424 -1.567176 1.544183
H -2.815482 -2.509080 0.010923
H -0.539820 -1.577699 -0.735862
H 2.344869 1.657081 -0.000512
H 1.112658 -2.499401 0.418425
H 3.498427 -3.224266 0.275241
H 6.007142 2.064998 -2.338232
H 6.848465 0.692806 -1.693566


