The experimental and calculated values of the chi_zz principal
           nuclear quadrupole tensor component for the chlorine nucleus
           in chlorine containing molecules.

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                              CALCULATED                            EXPERIMENTAL
                              
        B3LYP/TZV    B3LYP/     B3LYP/aug-   MP2/      MP2/aug-    value     source
        (3df,2p)     6-31G**    cc-pVDZ      6-31G**   cc-pVDZ   
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 HCl      -68.55     -68.75     -64.62     -64.64     -57.92     -67.60916(30)   1
 ClC6H5   -72.04     -69.12     -66.95     -68.29     -62.61     -71.09(10)      2
 CH3Cl    -75.69     -72.31     -68.93     -68.33     -63.89     -74.7514(11)    3
 CBrClFH  -76.61     -72.64     -70.91     -70.99     -65.46     -75.22(23)      4
 CH2Cl2   -76.64     -74.14     -70.38     -72.10     -65.31     -75.35(21)      5
 CBrClF2  -80.19     -75.43     -74.63     -73.08     -68.37     -78.372(90)     6
 CHCl3    -79.74     -77.59     -73.69     -75.35     -68.37     -78.557(22)     7
 CH3CCl3  -79.46     -76.87     -73.43     -74.80     -68.12     -78.169(24)     8
 HCCCl    -79.54     -79.45     -75.75     -77.02     -70.83     -79.7358(19)    9
 ClCN     -83.03     -83.53     -79.03     -79.75     -72.99     -83.27519(40)  10 
 FCCCl    -83.12     -82.54     -79.30     -80.28     -74.01     -83.0(1)       11
 BrCl    -105.87     -97.97     -96.60     -94.99     -89.62    -102.378(1)     12
 Cl2     -114.02    -107.10    -105.32    -102.09     -98.73    -111.7902(38)   13
 ClONO2  -123.34    -115.13    -114.70    -110.53    -102.62    -122.692(219)   14
 ClF     -147.41    -135.99    -136.93    -132.82    -129.90    -145.87182(3)   15
                                                                     
 k          0.9869(25) 1.0353(71) 1.0619(23) 1.0712(73) 1.1451(59)      
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 k is the fitted gradient to the dependence of Chi_zz(exp) on Chi_zz(calc)
                                                      
 Calculation has been carried out with PC-GAMESS version of the GAMESS ab-inito package. 
  
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