%chk=000044719.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044719

0 1
 Cl   4.290500      -1.840600      0.1296000    
 O   -1.935400     -0.7152000      -1.605400    
 O    3.448100       1.008200     -6.9700003E-02
 N   -3.795000     -0.1208000     -0.1922000    
 C   -1.407300      0.2116000      0.5078000    
 C   -1.573200       1.673700      5.4699998E-02
 C   2.8999999E-02 -0.2826000      0.3885000    
 C  -0.4720000       2.551700      0.6283000    
 C   -2.420300     -0.6494000     -0.2592000    
 C   0.8795000       2.105100      8.5400000E-02
 C    1.100600      0.6190000      0.2175000    
 C   0.3234000      -1.650900      0.5269000    
 C    2.415700      0.1326000      0.1239000    
 C    1.635500      -2.120300      0.4455000    
 C    2.681100      -1.229600      0.2367000    
 C   -4.293500     -3.7400000E-02   1.183700    
 C   -4.706800     -0.9550000     -0.9837000    
 C    3.799900       1.300000      -1.418300    
 H   -1.628000      0.1696000       1.583200    
 H   -2.535400       2.084500      0.3787000    
 H   -1.545300       1.762600      -1.038500    
 H  -0.4806000       2.490600       1.723900    
 H  -0.6468000       3.600400      0.3627000    
 H   -2.417000      -1.675800      0.1247000    
 H    1.657900       2.660500      0.6216000    
 H   0.9436000       2.373700     -0.9758000    
 H  -0.4635000      -2.376400      0.7127000    
 H    1.821900      -3.186200      0.5506000    
 H   -2.305700      4.6200000E-02  -2.082300    
 H   -5.334300      0.3078000       1.193100    
 H   -3.741100      0.6914000       1.783200    
 H   -4.254100      -1.007200       1.693000    
 H   -4.742200      -1.988200     -0.6191000    
 H   -4.416600     -0.9702000      -2.039600    
 H   -5.723600     -0.5464000     -0.9558000    
 H    2.941600       1.676000      -1.982600    
 H    4.205000      0.4127000      -1.914000    
 H    4.573000       2.073400      -1.409100    


%chk=000044719-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044719

0 1
Cl 4.342896 -1.849916 0.183625
O -2.108387 -0.429182 -1.822017
O 3.460884 1.083109 -0.113418
N -3.854366 -0.242891 -0.200908
C -1.466969 0.285641 0.493649
C -1.620666 1.794031 0.174704
C -0.013362 -0.211859 0.387436
C -0.447160 2.620860 0.732475
C -2.422851 -0.577371 -0.395358
C 0.861311 2.186735 0.043786
C 1.068861 0.681045 0.148777
C 0.268818 -1.588826 0.581367
C 2.397103 0.171712 0.064943
C 1.581005 -2.095848 0.514679
C 2.636640 -1.207396 0.246497
C -4.317684 -0.115954 1.199003
C -4.736164 -1.162643 -0.965566
C 3.996998 1.158118 -1.488430
H -1.770892 0.119761 1.548245
H -2.589737 2.159137 0.558581
H -1.642456 1.941522 -0.924721
H -0.362419 2.473250 1.827714
H -0.623431 3.699410 0.560953
H -2.225385 -1.658895 -0.220317
H 1.738413 2.699898 0.474733
H 0.822600 2.487551 -1.024604
H -0.543957 -2.289988 0.799444
H 1.783907 -3.158999 0.671425
H -2.440863 0.466775 -2.093314
H -5.395971 0.122313 1.189241
H -3.803217 0.707772 1.719467
H -4.184292 -1.050718 1.797605
H -4.801825 -2.177622 -0.502250
H -4.345603 -1.276973 -1.988266
H -5.754430 -0.738262 -1.016119
H 3.209647 1.478735 -2.198351
H 4.412944 0.184035 -1.805022
H 4.798659 1.911033 -1.449090


