%chk=000114568.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114568

0 1
 Cl  -4.779400      -1.792000      0.2468000    
 O   0.3012000       1.063100     -0.4814000    
 O    2.738700      0.5868000      -1.519100    
 N    3.276500     -0.8593000      0.2084000    
 C    1.350500      0.7252000      0.4199000    
 C    2.512400      0.1489000     -0.3859000    
 C  -0.8905000      0.4104000     -0.3114000    
 C    1.762700       1.979600       1.176500    
 C   -2.053300       1.122600     -3.4699999E-02
 C  -0.9203000     -0.9767000     -0.4165000    
 C   -3.258100      0.4411000      0.1384000    
 C    4.411400      -1.483500     -0.4620000    
 C    3.000000      -1.369700       1.549200    
 C   -2.032700       2.611200      8.1400000E-02
 C   -2.125000      -1.658200     -0.2436000    
 C   -3.293900     -0.9494000      3.4100000E-02
 H   0.9896000     -1.6000000E-03   1.153700    
 H    2.602600       1.789700       1.851200    
 H   0.9234000       2.370600       1.760800    
 H    2.060900       2.772100      0.4806000    
 H  -2.0500001E-02  -1.542100     -0.6421000    
 H   -4.170200      0.9921000      0.3563000    
 H    4.541200      -1.081100      -1.469800    
 H    4.235400      -2.561100     -0.5267000    
 H    5.317400      -1.287800      0.1189000    
 H    3.858800      -1.932800       1.927100    
 H    2.130700      -2.031600       1.496000    
 H    2.798600     -0.5504000       2.242600    
 H   -1.506900       2.911600      0.9931000    
 H   -1.534200       3.059000     -0.7848000    
 H   -3.043800       3.030500      0.1230000    
 H   -2.138200      -2.741700     -0.3300000    


%chk=000114568-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114568

0 1
Cl -4.536491 -2.124614 -0.851577
O 0.129689 1.401333 0.611070
O 1.984586 0.582708 -1.323521
N 3.022464 -0.873390 0.174723
C 1.421463 0.860244 1.051048
C 2.154954 0.171534 -0.137630
C -0.900231 0.507330 0.264894
C 2.220937 2.077370 1.539390
C -2.102986 1.134865 -0.176822
C -0.801635 -0.900555 0.354187
C -3.200387 0.311469 -0.511571
C 3.716892 -1.568531 -0.926748
C 3.272543 -1.389048 1.533484
C -2.175567 2.642535 -0.288835
C -1.909231 -1.711884 0.014543
C -3.093636 -1.090486 -0.409288
H 1.239176 0.148059 1.880357
H 3.214798 1.776508 1.916576
H 1.673444 2.590822 2.347578
H 2.361829 2.780416 0.701652
H 0.126686 -1.388075 0.665151
H -4.133936 0.768051 -0.854521
H 3.398669 -1.111304 -1.875682
H 3.455899 -2.644055 -0.933167
H 4.813857 -1.468446 -0.822221
H 4.289953 -1.816187 1.568872
H 2.559616 -2.190018 1.817115
H 3.228089 -0.590415 2.290543
H -1.987798 3.124526 0.688191
H -1.395950 3.019085 -0.975704
H -3.162558 2.967089 -0.658924
H -1.840138 -2.801437 0.076837


