CCL: dipole and polarizability in MOPAC



Dear all,
 I have met some difficult to recognize the value of
 dipole (or dipole moment) and polarizability (or
 polarizability volume) in the output file of MOPAC
 6.0.
 I wonder what's the difference between the dipole and
 dipole moment, and between the polarizability and
 polarizability volume. What's the values given by
 MOPAC 6.0? And which values should be reported in
 paper?
 The section of dipole and polarizability in the output
 file of MOPAC 6.0 is appended in the end of this email
 as an example.
 Thank you very much for your concern on this matter.
 Best wishes,
 Jinsong
 ********************** DIPOLE************************
                      E4             DIP
      X               .000022        .000022
      Y               .002344        .002343
      Z               .000211        .000211
  MAGNITUDE:          .002353        .002353  (A.U.)
                      .005981        .005980  (DEBYE)
  *********** POLARIZABILITY (ALPHA)******************
    COMPONENT            E4             DIP
         XX           42.104728      42.102071
         YY           40.480639      40.478266
         ZZ           41.255487      41.252784
         XY             .000172        .000037
         XZ            -.001798       -.001890
         YZ            -.002255       -.002358
 AVERAGE POLARIZABILITY: E4             DIP
                      41.280284      41.277707  A.U.
                      6.116913       6.116531  ANG.**3
                      1.223349E-23   1.223273E-23  ESU
 =====
 (Mr.) Jinsong Zhao
 Ph.D. Candidate
 School of the Environment
 Nanjing University
 No.22 Hankou Road, Najing 210093
 P.R. China
 E-mail: zh_jinsong/at/yahoo.com.cn
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