Here is the general formula for the z-matrix you can use in jaguar

Atom1
Atom2     Atom1    D1
Atom3     Atom2    D2      Atom1     Angle1
Atom4     Atom3    D3      Atom2     Angle2      Atom1      Dihedral1
etc


D1 = Distance between atoms 1 and 2

D2 = Distance between atoms 2 and 3


D3 = Distance between atoms 3 and 4

Angle1 = Angle between atoms 1, 2, and 3

Dihedral1 = Dihedral between atoms 1, 2, 3, and 4

 

 

 

An example of a completed z-matrix

 

Ti1
X      Ti1  1.32
Ti4    X    1.9995355167    Ti1  89.9999880141
Ti2    X    1.32                    Ti4  89.9999880141    Ti1  -179.9999760486

Ti3    X    1.9995355167    Ti4 105.000000000     Ti2    89.9999880141

For this structure, X is a "dummy" atom