%chk=000002814.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002814

0 1
 Cl   2.921300      -1.622200       2.277700    
 S   -2.896700       2.523400     -0.2515000    
 O   -1.626100     -0.6799000       2.491300    
 O   -5.572600      -1.388400     -8.2500003E-02
 O   -3.472800      -2.158100     -0.5236000    
 O    1.248400       2.833000     -0.2700000    
 O    5.123400       1.174800     -0.4043000    
 N   -2.336800      6.8000004E-02  0.3687000    
 N   0.6903000      0.8135000      0.6918000    
 N    4.701500     -0.1443000     -0.5188000    
 C   -1.625600       1.207100     -0.2188000    
 C   -4.249100       1.265000     -0.4897000    
 C   -3.785600      6.5099999E-02  0.3642000    
 C  -0.6963000       1.173800       1.002400    
 C   -1.553300     -1.4200000E-02   1.483400    
 C   -5.565400       1.844800      3.1399999E-02
 C   -4.361800      0.9718000      -1.992000    
 C   -4.222400      -1.277400     -0.1290000    
 C    1.578000       1.695000      6.3000001E-02
 C    2.943300       1.198100     -0.1534000    
 C    3.375500     -9.7800002E-02 -0.3621000    
 C    4.047100       1.972000     -0.1835000    
 C    2.594600      -1.305700     -0.4224000    
 C    4.321000       3.408300     -3.7999999E-02
 C    2.330200      -2.069600      0.7146000    
 C    2.100000      -1.708300      -1.663100    
 C    1.571500      -3.235500      0.6109000    
 C    1.341300      -2.874300      -1.766800    
 C    1.077100      -3.637900     -0.6299000    
 H   -1.181400      0.9619000      -1.188600    
 H   -4.112500      0.1605000       1.408400    
 H  -0.7507000       2.033400       1.679900    
 H   -5.848100       2.753000     -0.5140000    
 H   -6.386800       1.130100     -8.6700000E-02
 H   -5.505400       2.099700       1.095900    
 H   -4.562900       1.885500      -2.564200    
 H   -3.449700      0.5181000      -2.395700    
 H   -5.188100      0.2833000      -2.201100    
 H    1.045200     -6.4199999E-02   1.049100    
 H   -5.879700      -2.262200     -0.4056000    
 H    3.967500       3.956200     -0.9169000    
 H    3.816400       3.811900      0.8453000    
 H    5.392600       3.602100      7.2600000E-02
 H    2.294800      -1.126100      -2.560900    
 H    1.355900      -3.842300       1.486800    
 H   0.9556000      -3.187300      -2.732600    
 H   0.4858000      -4.545300     -0.7106000    


%chk=000002814-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002814

0 1
Cl 2.691760 -1.111096 2.492490
S -3.033702 2.697674 0.084492
O -1.496904 -1.159488 1.930002
O -5.872923 -1.360068 -0.254704
O -4.039130 -1.653082 -1.657520
O 1.486020 2.762987 0.855165
O 5.194988 1.302560 -0.822922
N -2.521196 0.079695 0.106428
N 0.663407 0.701310 0.175463
N 4.840142 -0.126775 -0.834213
C -1.823563 1.305577 -0.357481
C -4.510140 1.482538 -0.302980
C -3.979943 0.049517 0.164465
C -0.665032 0.980189 0.667214
C -1.549602 -0.250220 1.083804
C -5.729140 1.918725 0.528062
C -4.798300 1.542187 -1.818674
C -4.572497 -1.070240 -0.696165
C 1.701688 1.611195 0.358807
C 3.048622 1.171274 -0.092753
C 3.560480 -0.156692 -0.389067
C 4.106096 2.040770 -0.363321
C 2.891912 -1.480459 -0.288860
C 4.278018 3.518389 -0.275143
C 2.426241 -2.020544 0.938654
C 2.726550 -2.269277 -1.460831
C 1.776369 -3.267413 1.007412
C 2.092573 -3.528303 -1.408121
C 1.607206 -4.021825 -0.175442
H -1.549257 1.334534 -1.421764
H -4.303135 -0.127026 1.207398
H -0.602529 1.745608 1.459632
H -6.082621 2.914571 0.207932
H -6.555052 1.197895 0.385325
H -5.487318 1.965220 1.604019
H -5.041817 2.577908 -2.107317
H -3.933508 1.211014 -2.419001
H -5.663772 0.902084 -2.078107
H 0.860339 -0.219538 -0.224324
H -6.260522 -2.085422 -0.815983
H 4.528462 3.947151 -1.262243
H 3.346411 3.963512 0.104987
H 5.102383 3.771202 0.416070
H 3.105689 -1.874730 -2.408921
H 1.411657 -3.637254 1.969247
H 1.973544 -4.116871 -2.323076
H 1.099546 -4.990562 -0.127033


