Table A1
Contour values for maps of the electronic charge density and of the Laplacian distribution function

Unless oterwies stated, the outermost charge density contour equals 0.002 au. The contours increase in order 2 ´ 10n, 4 ´ 10n, 8 ´ 10n with n increasing in steps of unity from n = -3. In certain maps as is stated in the figure caption, the outermost contour shown equals 0.001 au, the remaining countours increasing as above.
    The contours of the Laplacian of the electronic charge density (dashed contours Ñ2r < 0, solid contours Ñ2r > 0) increase and decrease from a zero contour in steps ± 2 ´ 10n, ± 4 ´ 10n, ± 8 ´ 10n, beginning with n = -3 and increasing in steps of unity. the innermost solid contour encompassing a nucleus with Z > 1 encloses the innermost region of charge concentration.

 
 

Table A2
Dipole moments of diatomic hydrides*

AH(X)
q(A) = 
ZA - N(A)
M(A)
M(H)
m(CT)
m(AH)
rn(A)
LiH +0.911 -0.001 +0.387 -2.747 -2.361 1.88
BeH +0.868 +1.520 +0.571 -2.203 -0.112 4.68
BH +0.754 +1.950 +0.493 -1.761 +0.682 4.34
CH +0.032 +0.807 -0.121 -0.068 +0.618 3.86
NH -0.323 +0.183 -0.176 +0.633 +0.640 3.51
OH -0.585 -0.224 -0.148 +1.073 +0.701 3.23
FH -0.760 -0.449 -0.104 +1.317 +0.764 2.97
NaH +0.810 +0.017 +0.133 -2.890 -2.739 2.64
MgH +0.796 +1.701 +0.302 -2.602 -0.599 5.18
AlH +0.825 +2.274 +0.360 -2.568 +0.066 4.97
SiH +0.795 +1.976 +0.428 -2.285 +0.119 4.49
PH +0.579 +1.464 +0.317 -1.569 +0.212 4.16
SH +0.094 +0.587 -0.009 -0.239 +0.339 3.86
ClH -0.241 -0.006 -0.103 +0.581 +0.471 3.68

*A negative value for m implies the direction A+H- for the dipole. The units are atomic units; 1 au = 2.542 D. The nonbonded radis rn(A) is to the 0.001 au contour of r.