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Hi,
tungsten compounds are sometimes used for theoretical investigations.
Experimental mass spectra exist:
https://webbook.nist.gov/cgi/cbook.cgi?ID=C14040110&Mask=200
Not sure if xtb is parametrized for element W (74)
Data is from IUPAC:
N. E. Holden et al.: IUPAC Periodic Table of the Elements and Isotopes (IPTEI)
https://iupac.org/wp-content/uploads/2015/02/IPTEI_postprint_20190301.pdf
ISO ISO-MASS MOL-FRAC
180W† 179.946713 0.0012
182W 181.948206 0.2650
183W 182.950225 0.1431
184W 183.950933 0.3064
186W 185.954365 0.2843
It looks interesting, lost a tooth on the right side:
T.
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