Z-matrix to Cartesian Converter
Cartesian Converter Example
Help Instructions for the Z-matrix to Cartesian Converter
Glossary of Terms
Quick Guide to DISCO Output File
SUCCEED's Computational Chemistry
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If you would like to see an example, please look at
- To use the Z-Matrix converter, you must have your z-matrix created
already. This program gives you a blank z-matrix form. Your job is to fill
in each field appropriately according to the molecule that you are working
- The first column asks you to define the atom you are describing. Make sure
you use the symbol of the molecule along with its number. Your numbers should
run down the page in order.
- The second column asks for the atom you are referencing. For example, when
you are identifying the bond distance between two molecules, you must use the
second column to identify the second atom in the bond. This number should and
must be an integer.
- The third column asks for the bond distance. This number cannot be an
integer. You must use a decimal point and must have a zero before the decimal
if the bond distance is a fraction. (Example: .96-NO 0.96-YES)
- The fourth column again asks for the reference atom for the bond
angle. Again this must be an integer.
- The fifth column asks for the bond angle. This too must be include a
- The sixth column asks for the third reference atom for the dihedral angle
as an integer.
- The seventh column asks for the dihedral angle in decimal form.