%chk=000044121.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044121

0 1
 Cl   5.874500       2.221700     -0.7178000    
 S    1.097700      -1.158700       1.596600    
 O   -4.066700      -1.677800      0.4137000    
 N   -2.402000       3.412000     -0.5742000    
 N   -2.768900      -2.163300       2.245800    
 C   -1.819100     -0.7513000      0.5138000    
 C   -2.321000      0.4851000     -0.2624000    
 C   -3.200200       1.408200      0.5907000    
 C   -3.592500       2.665000     -0.1853000    
 C  -0.8855000      -1.626000     -0.3053000    
 C   -3.005300      -1.570000       1.023500    
 C   0.4159000      -1.859200      9.8899998E-02
 C   -1.395300      -2.176800      -1.468100    
 C    1.236400      -2.670200     -0.6851000    
 C   -2.768600       4.599600      -1.347600    
 C   -1.625400       3.794800      0.6063000    
 C  -0.5751000      -2.988300      -2.252200    
 C   0.7410000      -3.234800      -1.860700    
 C    2.453400     -0.1997000      0.9402000    
 C    2.202000      0.8225000      2.7500000E-02
 C    3.758300     -0.4757000       1.342600    
 C    3.260800       1.571900     -0.4856000    
 C    4.817200      0.2735000      0.8294000    
 C    4.568400       1.297300     -8.4799998E-02
 H   -1.326300     -0.3471000       1.402200    
 H   -2.893500      0.1857000      -1.149500    
 H   -1.441500       1.025500     -0.6330000    
 H   -4.129800      0.8891000      0.8534000    
 H   -2.720500       1.640100       1.547300    
 H   -4.265200       3.275300      0.4312000    
 H   -4.155800       2.366900      -1.078600    
 H   -2.416500      -2.003200      -1.792400    
 H    2.263300      -2.885400     -0.3996000    
 H   -1.872200       5.129100      -1.689400    
 H   -3.382800       5.297800     -0.7674000    
 H   -3.325300       4.315600      -2.247700    
 H   -1.121000       2.939300       1.065600    
 H   -2.235200       4.303500       1.362000    
 H  -0.8146000       4.476900      0.3219000    
 H  -0.9610000      -3.429000      -3.166700    
 H    1.379000      -3.867900      -2.470300    
 H   -3.480300      -2.729900       2.695500    
 H   -1.884900      -2.069700       2.735600    
 H    1.190900       1.059300     -0.2937000    
 H    3.970900      -1.270200       2.053500    
 H    3.051800       2.367800      -1.195800    
 H    5.830900      4.8300002E-02   1.150600    


%chk=000044121-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044121

0 1
Cl 3.761012 3.827068 0.629895
S 1.427835 -2.195885 1.107437
O -3.774107 -1.607951 1.042157
N -1.859105 3.434203 -0.672047
N -2.010669 -2.345181 2.365577
C -1.473462 -0.867988 0.463294
C -2.082110 0.402329 -0.177934
C -2.418655 1.492777 0.861074
C -2.884429 2.809346 0.202696
C -0.888241 -1.843507 -0.561516
C -2.536999 -1.627633 1.307952
C 0.394207 -2.445866 -0.412256
C -1.648149 -2.200011 -1.707779
C 0.900688 -3.348577 -1.375726
C -2.446571 4.454857 -1.564797
C -0.708812 3.973897 0.082748
C -1.153794 -3.107553 -2.668017
C 0.126715 -3.683696 -2.508614
C 2.070366 -0.473587 0.904546
C 1.877403 0.285640 -0.271216
C 2.794295 0.071886 1.993210
C 2.396381 1.596996 -0.358537
C 3.320019 1.380238 1.910449
C 3.107514 2.126240 0.734343
H -0.666481 -0.558269 1.152263
H -3.010712 0.130326 -0.714765
H -1.376356 0.822140 -0.918663
H -3.230394 1.137186 1.525262
H -1.538800 1.684533 1.508331
H -3.219695 3.520050 1.003791
H -3.771020 2.594345 -0.425480
H -2.646882 -1.768772 -1.830952
H 1.894971 -3.782756 -1.231953
H -1.670260 4.841708 -2.249675
H -2.884439 5.328242 -1.015841
H -3.246785 3.999866 -2.175460
H -0.196757 3.170148 0.637866
H -1.002556 4.769734 0.815316
H 0.023442 4.411619 -0.619413
H -1.768381 -3.366560 -3.537185
H 0.520124 -4.385296 -3.251692
H -2.635760 -2.913349 2.937148
H -1.001508 -2.378048 2.527276
H 1.328356 -0.132792 -1.120192
H 2.950050 -0.512391 2.906624
H 2.240511 2.191139 -1.263556
H 3.878400 1.806757 2.748615


