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August 19, 2019

Point group symmetries on water Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » View Molecular Orbitals » Point group symmetries on water « Previous Next »

Author Message
Bob Gotwals
Unregistered guest
Posted on Wednesday, October 19, 2016 - 5:49 pm:   

Looking at a water run with B3LYP/6-31G(d) on Gaussian, I get B2 symmetry for MO3, as should be the case. However, when I look at the slice option in MOViewer, it looks to me like the sigma-xz and sigma-yz planes of symmetry are reversed. Is there a way to see the x-y-z coordinate system for molecules, or is the slice option the best way? I put coordinates 1,0,0, and 0 in the slice tool to see the x-plane.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 535
Registered: 11-2006
Posted on Thursday, October 20, 2016 - 10:06 am:   

There is currently not a great way to see the coordinate system. I will add an "axis" display in a future revision.

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