zfekete2/10.1080-00268970701598089

Supplementary material for DOI:10.1080/00268970701598089

Fekete ZA, Hoffmann EA, Körtvélyesi T, Penke B. Harmonic vibrational frequency scaling factors for the new NDDO Hamiltonians: RM1 and PM6. Molecular Physics. 2007 Oct 10;105(19-22):2597-605.

Supplementary material for DOI:10.1080/00268970701598089

See the original paper via

https://scholar.google.com/scholar?hl=en&as_sdt=0%2C5&q=%22Harmonic+vibrational+frequency+scaling+factors+for+the+new+NDDO+Hamiltonians%3A+RM1+and+PM6.%22&btnG=

We did not submit supporting material for our paper at the time of its publication. This repository now provides the data that had been used.

The set consists of 922 frequencies (from 90 species), and can be referred to as F922/2007 - although this designation was not used in the paper. The list contains a single deuterated molecule, DCl; this had been included by mistake, but is now left as is for consistency with the published data.