CCL:G: Defining quadrupole in Gaussian 03

 Sent to CCL by: "Andrew Joseph Adamczyk"
 Hello Everyone,
 Ultimately I want to assign the charges for the quadrupole moment in N2 against
 the bias in Gaussian described below (or perhaps persuade against the bias).
 That is, I am able to generate the quadrupole tensor which has nonzero
 components Qxx, Qyy, and Qzz.  The latter of which is the calculated quadrupole
 moment for N2.  This is with the bias that the quadrupole is of -++-
 I also ran the pop=chelpg option and received the following output which only
 constrains the dipole moment giving zero partial charges:
 Breneman (CHELPG) radii used.
  Generate Potential Derived Charges using the Breneman model, NDens= 1.
  Grid spacing= 0.300 Box extension= 2.800
  NStep X,Y,Z=   20     20     24   Total possible points=        9600
  Number of Points to Fit=    3328
             Electrostatic Properties Using The SCF Density
        Atomic Center    1 is at   0.000000  0.000000  0.554640
        Atomic Center    2 is at   0.000000  0.000000 -0.554640
     3328 points will be used for fitting atomic charges  Fitting point charges
 to eletrostatic potential
  Charges from ESP fit, RMS=   0.00536 RRMS=   1.00000:
  Charge=   0.00000 Dipole=     0.0000     0.0000     0.0000 Tot=     0.0000
      1  N    0.000000
      2  N    0.000000
 If anyone is able to manipulate Gaussian to allow for unique quadrupole
 arrangements (with point charges perhaps) in an effort to generate the
 electrostatic potential surface, your suggestions would be greatly appreciated.
 Thank you in advance.