%chk=000046227.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046227

0 1
 Cl  -5.583500      -1.199200      0.3275000    
 N   -1.909500      0.4266000      4.2100001E-02
 C   -1.184200     -0.7242000     -0.4948000    
 C   0.2980000     -0.6150000     -0.2546000    
 C   -3.349100      0.2610000     -0.1551000    
 C   -1.446000       1.662200     -0.5881000    
 C   0.7606000     -0.2218000      0.9933000    
 C    1.180600     -0.9095000      -1.284400    
 C    3.030800     -0.4150000      0.1890000    
 C   -3.835300     -0.9794000      0.5784000    
 C   -2.189300       2.869400     -4.1800000E-02
 C    2.134000     -0.1213000       1.216300    
 C    2.553900     -0.8088000      -1.061500    
 C    4.499200     -0.3081000      0.4270000    
 C    5.039600       1.083200      0.1067000    
 H   -1.392600     -0.8487000      -1.566000    
 H   -1.459500      -1.660300     -9.9999997E-05
 H   -3.599000      0.1990000      -1.222600    
 H   -3.909600       1.101500      0.2667000    
 H  -0.3847000       1.843000     -0.3889000    
 H   -1.565700       1.629200      -1.679000    
 H   8.0200002E-02 -2.3000001E-03   1.811300    
 H   0.8220000      -1.218000      -2.262200    
 H   -3.399500      -1.908800      0.2114000    
 H   -3.659100     -0.9071000       1.656400    
 H   -3.203900       2.956200     -0.4425000    
 H   -2.233500       2.860500       1.052700    
 H   -1.663400       3.784900     -0.3368000    
 H    2.492800      0.1855000       2.195200    
 H    3.242200      -1.038600      -1.870600    
 H    4.728200     -0.5558000       1.471100    
 H    5.031700      -1.053300     -0.1772000    
 H    4.866400       1.343300     -0.9431000    
 H    6.117400       1.121900      0.2935000    
 H    4.558800       1.847200      0.7268000    


%chk=000046227-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046227

0 1
Cl -5.493737 -1.294548 1.153444
N -2.015371 0.379569 -0.368091
C -1.150902 -0.647790 -0.995963
C 0.317573 -0.546861 -0.588557
C -3.441366 -0.012217 -0.300254
C -1.759635 1.762334 -0.846995
C 0.687238 -0.190088 0.732283
C 1.342817 -0.863988 -1.512256
C 3.076704 -0.482069 0.196863
C -3.698176 -0.676382 1.059002
C -2.186955 2.835459 0.171060
C 2.044487 -0.158020 1.116148
C 2.701016 -0.835751 -1.123841
C 4.542105 -0.401471 0.602073
C 5.137128 1.016995 0.388660
H -1.222108 -0.624238 -2.112641
H -1.540647 -1.638195 -0.685240
H -3.732888 -0.705845 -1.119371
H -4.085258 0.879520 -0.393850
H -0.671970 1.850496 -1.021102
H -2.260344 1.950157 -1.829357
H -0.105020 0.069150 1.443559
H 1.077920 -1.138048 -2.541744
H -3.073199 -1.568116 1.216328
H -3.577892 0.032923 1.889833
H -3.268163 2.785835 0.396937
H -1.633022 2.705024 1.117229
H -1.975665 3.846067 -0.224656
H 2.310182 0.117462 2.144995
H 3.479542 -1.089715 -1.854516
H 4.653332 -0.680199 1.667696
H 5.134278 -1.131458 0.017486
H 5.069336 1.316152 -0.673052
H 6.200547 1.049206 0.689657
H 4.587115 1.768049 0.984333


