Where Can I Find a Reliable Dihedral Angle Database for Computational Chemistry?

[rmiller70015]

I am working on a computational project and I need to make a series of coordinate system transforms. To do this I will need the dihedral angles for methyl formate, but I cannot find this information anywhere. I've tried the CRC handbook, NIST chemical database, and other data bases, but I can't seem to locate one. I need to know if there is a good, reliable source of dihedral angles that someone has compiled.

 

[Ygggdrasil]

Can you specify (perhaps w/ a drawing or diagram) which bond you want dihedral angles for? The methyl group should be freely rotating, so I'm not sure there is a single preferred angle at standard temperature and pressure.

 

[Borek]

Crystallographic database?

 

[TeethWhitener]

CCCBDB does a pretty good job tabulating ab initio and gas phase spectroscopic data:

http://cccbdb.nist.gov