%chk=000046218.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046218

0 1
 Cl   4.464800       1.827000     -0.3071000    
 N   -1.405100      -1.375700     -0.2342000    
 N   -1.784300     -0.1112000      0.3505000    
 N   -4.522200       2.272000     -0.4973000    
 C  -0.1978000      -1.881200      0.4239000    
 C   0.9721000     -0.9513000      0.2409000    
 C   -2.960200      0.3935000     -0.3450000    
 C   -2.518700      -2.302400     -3.5799999E-02
 C   -3.355000       1.758300      0.2112000    
 C    1.809100      -1.113600     -0.8541000    
 C    1.196600      5.5399999E-02   1.169200    
 C    2.892600     -0.2519000      -1.024200    
 C    2.280000      0.9174000      0.9993000    
 C    3.128100      0.7637000     -9.7300000E-02
 H   7.1300000E-02  -2.860500      5.1000002E-03
 H  -0.3642000      -2.055200       1.497100    
 H   -3.838800     -0.2485000     -0.2175000    
 H   -2.754700      0.4839000      -1.419900    
 H   -1.988200     -0.2237000       1.343700    
 H   -3.328700      -2.141200     -0.7552000    
 H   -2.921800      -2.292200      0.9847000    
 H   -2.190400      -3.330800     -0.2364000    
 H   -2.527500       2.469100      0.1039000    
 H   -3.592500       1.682500       1.278400    
 H    1.633800      -1.899800      -1.583200    
 H   0.5511000      0.1810000       2.034000    
 H    3.544700     -0.3831000      -1.883800    
 H    2.452500       1.702800       1.730700    
 H   -4.303400       2.379900      -1.487000    
 H   -4.744200       3.204400     -0.1508000    


%chk=000046218-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046218

0 1
Cl 4.320646 2.054012 -0.609618
N -1.504593 -1.587004 0.088390
N -2.111616 -0.347910 0.524656
N -4.011925 2.475964 -1.099818
C -0.249018 -1.829024 0.840734
C 0.846653 -0.832004 0.491229
C -2.835965 0.371450 -0.546119
C -2.436406 -2.742550 0.124742
C -3.274268 1.761419 -0.038271
C 1.062626 -0.442453 -0.854170
C 1.704834 -0.320989 1.493175
C 2.114054 0.434318 -1.198466
C 2.766835 0.556319 1.170938
C 2.953456 0.917725 -0.175371
H 0.086090 -2.852188 0.572861
H -0.419404 -1.826292 1.945230
H -3.737661 -0.159554 -0.929707
H -2.132675 0.484165 -1.391365
H -2.703930 -0.485707 1.369314
H -3.330395 -2.505334 -0.476928
H -2.770132 -3.003058 1.160768
H -1.953366 -3.632122 -0.317128
H -2.370178 2.290753 0.340480
H -3.961306 1.635679 0.822882
H 0.385259 -0.822686 -1.626140
H 1.544565 -0.599857 2.541698
H 2.279223 0.734600 -2.237506
H 3.426375 0.951671 1.948850
H -3.439313 2.705642 -1.918252
H -4.549466 3.283616 -0.773290


