%chk=000051889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051889

0 1
 Cl   6.280500       1.821000      0.5503000    
 O  -0.8705000      0.3969000      4.2599998E-02
 O   0.2443000      -1.532200     -0.4725000    
 N   -4.538300      7.3799998E-02 -0.1274000    
 N    1.373500      0.4393000      9.1600001E-02
 C   -3.241000      0.7131000      8.9900002E-02
 C   -5.622000       1.034400      7.6200001E-02
 C   -4.698400      -1.074000      0.7645000    
 C   -2.109100     -0.2699000     -0.1630000    
 C   -5.478900       2.234200     -0.8372000    
 C   -6.009600      -1.790700      0.5166000    
 C   0.2663000     -0.3519000     -0.1454000    
 C    2.736900      7.4600004E-02  1.3500000E-02
 C    3.711100       1.020600      0.2896000    
 C    3.072500      -1.222900     -0.3394000    
 C    5.056200      0.6598000      0.2110000    
 C    4.417500      -1.583800     -0.4181000    
 C    5.409300     -0.6423000     -0.1428000    
 H   -3.075200       1.546300     -0.6018000    
 H   -3.153800       1.129800       1.102500    
 H   -5.679200       1.371300       1.119100    
 H   -6.586900      0.5830000     -0.1771000    
 H   -3.938700      -1.835700      0.5712000    
 H   -4.622500     -0.7884000       1.821100    
 H   -2.121600      -1.106600      0.5399000    
 H   -2.152900     -0.6521000      -1.190100    
 H   -6.413400       2.807000     -0.8389000    
 H   -5.279500       1.937700      -1.872800    
 H   -4.696000       2.923600     -0.5062000    
 H   -6.001800      -2.760900       1.026600    
 H   -6.172200      -1.985400     -0.5491000    
 H   -6.869200      -1.240500      0.9118000    
 H    1.187200       1.404000      0.3549000    
 H    3.432100       2.034900      0.5649000    
 H    2.363100      -2.005400     -0.5663000    
 H    4.693800      -2.597600     -0.6935000    
 H    6.453300     -0.9378000     -0.2081000    


%chk=000051889-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051889

0 1
Cl 6.374085 1.680893 1.032868
O -0.841301 0.481028 0.122968
O 0.216894 -1.395666 -0.832574
N -4.570940 0.170759 0.218526
N 1.411747 0.402020 0.157818
C -3.224598 0.721548 0.506283
C -5.626350 1.210080 0.091480
C -4.943336 -0.947572 1.128102
C -2.167431 -0.080995 -0.262356
C -5.540558 1.989819 -1.234295
C -5.942042 -1.933918 0.493760
C 0.275613 -0.287548 -0.246157
C 2.765452 0.005732 0.004102
C 3.759042 0.889334 0.508286
C 3.149434 -1.211543 -0.620316
C 5.110939 0.535350 0.377143
C 4.520082 -1.525358 -0.730304
C 5.525151 -0.662005 -0.235700
H -3.177635 1.775265 0.179663
H -2.980155 0.710538 1.594334
H -5.603263 1.923616 0.953813
H -6.605407 0.699749 0.135096
H -4.018300 -1.499491 1.380063
H -5.352133 -0.562890 2.096755
H -2.188795 -1.155832 -0.009973
H -2.302832 0.026521 -1.352341
H -6.353403 2.737319 -1.296963
H -5.628994 1.296002 -2.088175
H -4.581763 2.531047 -1.333600
H -6.168864 -2.757525 1.196236
H -5.517719 -2.362531 -0.430665
H -6.897943 -1.444380 0.233841
H 1.228385 1.295344 0.619772
H 3.480608 1.831765 0.991876
H 2.382418 -1.885380 -1.005829
H 4.814978 -2.463630 -1.212112
H 6.585835 -0.910265 -0.323327


