%chk=000046761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046761

1 1
 Cl   5.026900       1.507900     -0.7054000    
 O  -0.9207000       3.375400       1.578300    
 O   -4.501900      -1.951500      5.2000001E-02
 N   -1.607500      0.3422000     -0.4842000    
 N    1.903600     -0.9353000      9.8999999E-03
 C  -0.1576000      4.9699999E-02 -0.8426000    
 C   -1.654900       1.251200      0.7354000    
 C   -2.326300     -0.9627000     -0.1729000    
 C   0.5245000     -0.6040000      0.3474000    
 C   -2.291100       1.030500      -1.657000    
 C  -0.9112000       2.536500      0.4308000    
 C   -3.823300     -0.7455000     -0.2728000    
 C    2.751800      0.2561000      7.8699999E-02
 C    2.417100      -1.975900      0.9026000    
 C    3.980400      7.1099997E-02 -0.7984000    
 C    1.590000      -3.245900      0.7982000    
 H  -0.1793000     -0.6420000      -1.695900    
 H   0.3183000      0.9627000      -1.207000    
 H   -2.703400       1.491400      0.9468000    
 H   -1.286500      0.7363000       1.627300    
 H   -2.065500      -1.300700      0.8359000    
 H   -2.007800      -1.724700     -0.8944000    
 H   0.5339000      1.9900000E-02   1.246000    
 H  -3.5000000E-02  -1.500800      0.5978000    
 H   -2.457800      0.2916000      -2.447900    
 H   -1.622600       1.797300      -2.061200    
 H   -3.222900       1.503300      -1.333000    
 H   0.1429000       2.383700      0.1986000    
 H   -1.375800       3.109100     -0.3756000    
 H   -4.182500      2.0900000E-02  0.4189000    
 H   -4.155300     -0.4985000      -1.283900    
 H    3.036600      0.4843000       1.114700    
 H    2.228200       1.145200     -0.2896000    
 H    2.443000      -1.642700       1.948100    
 H    3.442900      -2.238800      0.6231000    
 H    3.701700     -6.5800004E-02  -1.848200    
 H    4.594900     -0.7785000     -0.4912000    
 H   0.6725000      -3.208800       1.393100    
 H    1.338400      -3.489500     -0.2399000    
 H    2.170500      -4.087900       1.193200    
 H  -0.4433000       4.189600       1.343800    
 H   -5.455400      -1.772000     -1.4200000E-02


%chk=000046761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046761

1 1
Cl 4.832651 1.821349 -0.609109
O -1.339432 3.696886 1.194701
O -4.486248 -1.867265 0.481589
N -1.628382 0.366884 -0.524838
N 1.906833 -0.961399 0.332732
C -0.155743 -0.132987 -0.646595
C -1.757699 1.533163 0.472742
C -2.495743 -0.812232 -0.043271
C 0.495789 -0.680200 0.646488
C -2.077521 0.806197 -1.920037
C -0.809536 2.723664 0.243748
C -4.015206 -0.568555 0.003238
C 2.818610 0.204663 0.450347
C 2.447525 -2.232449 0.901716
C 3.759062 0.279300 -0.762461
C 1.880882 -3.492291 0.224712
H -0.155193 -0.923525 -1.415886
H 0.428526 0.719620 -1.030693
H -2.790653 1.911789 0.405415
H -1.604016 1.128517 1.485551
H -2.159662 -1.082943 0.969950
H -2.294363 -1.661030 -0.719264
H 0.380656 0.038166 1.491845
H 0.008550 -1.622477 0.947700
H -2.179297 -0.086017 -2.556546
H -1.321678 1.478592 -2.350890
H -3.040707 1.332512 -1.851727
H 0.242962 2.460686 0.474371
H -0.866477 3.102674 -0.798094
H -4.282494 0.244246 0.708474
H -4.428298 -0.332829 -0.998463
H 3.418634 0.170758 1.384845
H 2.227803 1.140247 0.494065
H 2.279434 -2.278993 2.003160
H 3.541633 -2.211268 0.752592
H 3.206594 0.376640 -1.708549
H 4.455419 -0.570227 -0.815149
H 0.789004 -3.595481 0.370552
H 2.088024 -3.477713 -0.859231
H 2.349127 -4.394702 0.656274
H -0.768562 4.504424 1.233388
H -5.470310 -1.871994 0.585909


