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UNABLE TO GENERATE PRINCIPAL AXES,

Jonas Baltrusaitis
jonas-baltrusaitis@uiowa.edu


I am trying to perform simultaneous two-bond scan. For that I defined z-matrix. I am getting
UNABLE TO GENERATE PRINCIPAL AXES
after
YOUR FULLY SUBSTITUTED Z-MATRIX IS. See attached input.

Incidentally, how do I define Z-matrix with symmetry higher than c1? Specify every possible variable in z-matrix an then instead of
$data
Illustration of coordinate systems
C1

define, for example

$data
Illustration of coordinate systems
Cnv 2

or is it more involved than that?

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