%chk=000044129.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044129

0 1
 Cl  -5.542900       1.986400      0.9917000    
 S   -1.035700      -1.445700      -1.796800    
 O  -0.3319000       1.328800       1.643000    
 N    4.390100       1.788100     -0.5217000    
 C   0.7868000      0.6083000     -0.3752000    
 C  -0.4885000       1.254700      0.2171000    
 C    2.020300       1.483900     -8.4600002E-02
 C   0.9334000     -0.8396000      7.9599999E-02
 C    3.234400      0.9520000     -0.8235000    
 C   -1.874900      0.7075000     -0.1077000    
 C   0.1296000      -1.836400     -0.5054000    
 C   -2.194000     -0.3997000     -0.9199000    
 C    1.823300      -1.220400       1.098800    
 C   -2.950200       1.432600      0.4640000    
 C   0.2442000      -3.173200     -9.6900001E-02
 C   -3.547800     -0.7434000      -1.123600    
 C    1.927600      -2.552000       1.506500    
 C    1.141200      -3.528400      0.9069000    
 C    4.613200       1.857300      0.9235000    
 C    5.585400       1.278100      -1.195900    
 C   -4.282200       1.076900      0.2577000    
 C   -4.581400     -1.5900001E-02 -0.5379000    
 H   0.6920000      0.6175000      -1.469400    
 H  -0.5101000       2.293000     -0.1462000    
 H    1.819000       2.511300     -0.4178000    
 H    2.165800       1.534000      0.9968000    
 H    3.455100     -9.1799997E-02 -0.5812000    
 H    3.036400      0.9892000      -1.902400    
 H    2.441000     -0.4954000       1.618800    
 H   -2.730900       2.301200       1.085300    
 H   0.2719000       2.064800       1.838700    
 H  -0.3661000      -3.950400     -0.5515000    
 H   -3.817800      -1.592600      -1.750100    
 H    2.621200      -2.823400       2.297300    
 H    1.222500      -4.564000       1.223000    
 H    3.896500       2.518300       1.420300    
 H    4.604000      0.8711000       1.401300    
 H    5.590000       2.310900       1.134500    
 H    5.429300       1.241200      -2.279900    
 H    5.858600      0.2739000     -0.8519000    
 H    6.437900       1.945300      -1.026300    
 H   -5.610600     -0.3149000     -0.7168000    


%chk=000044129-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044129

0 1
Cl -5.669184 1.901566 0.967643
S -0.906080 -1.440162 -1.880357
O -0.504044 1.559547 1.637759
N 4.467941 1.826112 -0.451492
C 0.783305 0.559831 -0.275429
C -0.507279 1.307522 0.178230
C 2.025360 1.434954 0.037086
C 0.863743 -0.870144 0.248919
C 3.283417 0.976733 -0.731342
C -1.879092 0.692769 -0.137748
C 0.139006 -1.890721 -0.421499
C -2.168051 -0.385269 -1.020302
C 1.620086 -1.249283 1.386263
C -2.976868 1.366690 0.466811
C 0.188449 -3.238607 -0.010009
C -3.511989 -0.735099 -1.306577
C 1.676334 -2.593920 1.814740
C 0.971202 -3.596036 1.110756
C 5.034350 1.601545 0.895074
C 5.503149 1.691260 -1.498939
C -4.296260 1.000794 0.169670
C -4.592947 -0.041306 -0.728016
H 0.697383 0.489506 -1.381357
H -0.478289 2.292923 -0.344965
H 1.818011 2.483782 -0.255871
H 2.232135 1.444104 1.125217
H 3.487419 -0.102308 -0.512852
H 3.069470 1.047011 -1.815416
H 2.177249 -0.490424 1.944904
H -2.765330 2.168719 1.178392
H 0.258935 2.155304 1.848625
H -0.392060 -3.992226 -0.551414
H -3.709817 -1.578347 -1.975661
H 2.267970 -2.859204 2.698019
H 1.014964 -4.640617 1.437284
H 4.285568 1.824552 1.674586
H 5.393690 0.551175 1.048663
H 5.889583 2.282464 1.052183
H 5.072920 1.947644 -2.483266
H 5.936990 0.661053 -1.567661
H 6.330440 2.394697 -1.295170
H -5.626081 -0.319487 -0.953281


