UT theoretical chemistry code forum

For water I have an ACF.dat file that looks like the following:

X Y Z CHARGE MIN DIST ATOMIC VOL
--------------------------------------------------------------------------------
1 3.8726 5.7918 4.8685 8.1643 5.0145 1277.3475
2 5.3096 6.9020 4.8685 0.0000 5.9858 155.5319
3 2.4357 6.9020 4.8685 0.0000 5.9858 155.5319
--------------------------------------------------------------------------------

How to I get partial atomic charges from this data?

I expect that you don't have core charges for the H atoms because their net charge is zero.
The total number of electrons, 8.1643, is also a little puzzling; I would expect 8, or maybe 10.

Yes, I have found the problem and you are right. Thanks for all your help Dr.Graeme.