%chk=000002813.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002813

-1 1
 Cl  -2.542100      -1.474800       2.568900    
 S    3.024700       2.132500      0.7412000    
 O    1.795100     -0.3744000      -2.639300    
 O    3.448000     -0.7969000       2.061800    
 O    4.418100      -2.370700      0.7138000    
 O   -1.085100       2.707800      0.5953000    
 O   -5.047300       1.327900      0.1705000    
 N    2.339000     -0.1506000     -0.3546000    
 N  -0.5751000      0.8814000     -0.7157000    
 N   -4.709800     -1.4000000E-02  4.4100001E-02
 C    1.688900      0.9276000      0.3917000    
 C    4.363400       1.079600     -9.7000003E-03
 C    3.764800     -0.3316000     -0.2050000    
 C   0.8479000       1.199100     -0.8666000    
 C    1.669500      7.1800001E-02  -1.521600    
 C    4.732000       1.705300      -1.365500    
 C    5.595100       1.110100      0.9012000    
 C    3.888000      -1.253300      0.9703000    
 C   -1.454000       1.682400      2.3399999E-02
 C   -2.857200       1.248600      5.6600001E-02
 C   -3.375400     -2.9999999E-02 -2.2700001E-02
 C   -3.914700       2.076400      0.1762000    
 C   -2.670100      -1.277500     -0.1591000    
 C   -4.096300       3.528800      0.3043000    
 C   -2.248800      -2.010600      0.9504000    
 C   -2.407300      -1.747600      -1.446000    
 C   -1.565100      -3.213500      0.7732000    
 C   -1.723600      -2.950500      -1.623200    
 C   -1.302400      -3.683300     -0.5137000    
 H    1.147700      0.5680000       1.272400    
 H    4.164400     -0.8049000      -1.110300    
 H   0.9985000       2.168500      -1.354600    
 H    5.514400       1.116900      -1.859200    
 H    3.880100       1.751100      -2.052200    
 H    5.119400       2.724500      -1.249200    
 H    6.367500      0.4287000      0.5259000    
 H    6.039700       2.112400      0.9351000    
 H    5.376800      0.8267000       1.935400    
 H  -0.9504000      0.1177000      -1.261800    
 H   -3.775900       3.868700       1.294000    
 H   -3.508100       4.061500     -0.4496000    
 H   -5.144800       3.814400      0.1720000    
 H   -2.729400      -1.192200      -2.324100    
 H   -1.228600      -3.796800       1.626700    
 H   -1.518800      -3.316300      -2.625100    
 H  -0.7693000      -4.619400     -0.6520000    


%chk=000002813-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002813

-1 1
Cl -1.306832 -0.287316 2.490296
S 3.126273 1.875588 1.009819
O 1.540279 0.766614 -3.077767
O 2.490561 -1.916757 1.022125
O 4.525989 -2.536704 0.043103
O -1.585335 3.294430 -0.048979
O -5.307820 1.112094 0.240144
N 2.228478 0.150656 -0.819863
N -0.716241 1.216004 -0.657770
N -4.724868 -0.244506 0.301232
C 1.642546 0.906794 0.300934
C 4.415019 0.739134 0.039562
C 3.554988 -0.424770 -0.624840
C 0.681749 1.609765 -0.739916
C 1.517219 0.818166 -1.826736
C 5.059639 1.615167 -1.057950
C 5.459465 0.224303 1.043577
C 3.512398 -1.760602 0.231373
C -1.738448 2.040812 -0.232317
C -3.060500 1.367118 -0.017737
C -3.394316 -0.042894 0.149219
C -4.277570 2.038219 0.059321
C -2.482589 -1.217181 0.113330
C -4.664350 3.476230 -0.024824
C -1.419895 -1.396198 1.039025
C -2.600717 -2.164663 -0.939752
C -0.428194 -2.379199 0.876348
C -1.655660 -3.204346 -1.086000
C -0.554981 -3.286062 -0.203607
H 1.194702 0.299765 1.095179
H 4.005471 -0.670234 -1.602443
H 0.764045 2.704962 -0.784112
H 5.858185 1.042575 -1.571108
H 4.313061 1.925640 -1.810333
H 5.509916 2.526597 -0.624471
H 6.119900 -0.507477 0.543228
H 6.064841 1.062082 1.438011
H 4.972314 -0.295499 1.883898
H -0.914761 0.220654 -0.788605
H -5.252722 3.774577 0.861567
H -3.742294 4.076692 -0.071147
H -5.282060 3.670149 -0.921205
H -3.423841 -2.049454 -1.652482
H 0.477580 -2.399875 1.493363
H -1.754077 -3.915001 -1.913452
H 0.236854 -4.026551 -0.353641


