%chk=000116582.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116582

0 1
 Cl   2.073000       2.261500       1.704900    
 O  -0.2283000      0.4521000       2.087000    
 N    4.747500      -2.694600     -8.9500003E-02
 N   -4.745700      -2.487600     -0.9730000    
 C  -4.5600001E-02  0.2889000      0.6435000    
 C    1.210500     -0.4905000      0.4463000    
 C   -1.341100     -0.4717000      0.2030000    
 C  -3.3000000E-02   1.739500      5.1700000E-02
 C    1.907600     -0.3980000     -0.7583000    
 C   -2.491500     -0.1802000      0.8659000    
 C    1.688000      -1.312700       1.467000    
 C   -1.222000      -1.369400     -0.8108000    
 C    3.082300      -1.127400     -0.9422000    
 C   -3.645300     -0.8585000      0.4731000    
 C   0.8903000       2.628300      0.5023000    
 C  -0.9785000       1.999400     -0.8939000    
 C    3.559900      -1.949400      7.8599997E-02
 C   -3.587600      -1.792000     -0.5617000    
 C    2.862800      -2.042000       1.283200    
 C   -2.375800      -2.047600      -1.203600    
 C   0.8692000       3.910400     -4.6799999E-02
 C  -0.9996000       3.281300      -1.443100    
 C    3.808300      -1.010400      -2.242700    
 C   -4.929700     -0.5661000       1.178600    
 C  -7.5800002E-02   4.236900      -1.019400    
 H    1.540100      0.2303000      -1.565700    
 H   -2.551000      0.5592000       1.657000    
 H    1.164800      -1.425700       2.412100    
 H  -0.3106000      -1.589100      -1.348400    
 H   -1.704500       1.310500      -1.300300    
 H  -0.4109000       1.382000       2.300200    
 H    3.222000      -2.681800       2.085300    
 H   -2.318100      -2.770100      -2.014000    
 H    1.582300       4.666400      0.2721000    
 H   -1.730000       3.534800      -2.206200    
 H    4.819400     -0.6207000      -2.084400    
 H    3.866000      -1.984600      -2.739400    
 H    3.302400     -0.3254000      -2.932100    
 H   -4.801400      0.1869000       1.964000    
 H   -5.673800     -0.1767000      0.4758000    
 H   -5.318800      -1.470300       1.658500    
 H  -9.1399997E-02   5.234500      -1.448500    
 H    5.273700      -2.648700     -0.9508000    
 H    5.077700      -3.285600      0.6623000    
 H   -5.637400      -2.324400     -0.5269000    
 H   -4.683600      -3.161500      -1.725000    


%chk=000116582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116582

0 1
Cl 2.083168 2.549224 1.743142
O -0.294419 0.565115 2.186176
N 4.669460 -2.825381 -0.163833
N -4.849022 -2.547253 -0.914410
C -0.101049 0.353372 0.723042
C 1.194882 -0.445496 0.476009
C -1.342721 -0.453034 0.297122
C -0.053461 1.745862 0.023666
C 2.025264 -0.237099 -0.650467
C -2.587093 -0.228102 0.937690
C 1.543072 -1.481514 1.378088
C -1.297251 -1.390605 -0.760720
C 3.184662 -1.007698 -0.891426
C -3.763816 -0.909799 0.563882
C 0.845265 2.780417 0.389364
C -0.940196 2.057576 -1.041803
C 3.527638 -2.041857 0.036397
C -3.701297 -1.854697 -0.512230
C 2.690531 -2.264578 1.166573
C -2.457387 -2.080630 -1.163177
C 0.876572 4.041971 -0.232679
C -0.933392 3.311288 -1.690475
C 4.060646 -0.752150 -2.104267
C -5.078159 -0.661664 1.281984
C -0.024219 4.312216 -1.286884
H 1.774078 0.556110 -1.365212
H -2.620222 0.485821 1.766732
H 0.901223 -1.664197 2.246038
H -0.347656 -1.595109 -1.266381
H -1.649701 1.287780 -1.357854
H 0.528617 1.001645 2.535280
H 2.948267 -3.059485 1.878280
H -2.401319 -2.809007 -1.982264
H 1.593191 4.797236 0.102802
H -1.638171 3.502429 -2.506736
H 5.094269 -0.469838 -1.815712
H 4.132499 -1.644683 -2.759636
H 3.656916 0.071830 -2.715819
H -4.954096 0.087599 2.081094
H -5.862765 -0.284780 0.593681
H -5.470469 -1.585354 1.755786
H -0.008840 5.291421 -1.777093
H 5.281863 -2.667862 -0.957139
H 4.918051 -3.551218 0.501288
H -5.735131 -2.414771 -0.438438
H -4.801482 -3.230853 -1.663762


