Table 3. Ground State (GS) and Franck–Condon State (FC) Dipole Moments (μ/D).
| gas
phase |
water |
|||
|---|---|---|---|---|
| method | μGS | μFC | μGS | μFC |
| M06-2X | 6.5 | 14.9 | 8.0 | 19.3 |
| CAM-B3LYP | 6.6 | 14.8 | 8.1 | 19.2 |
| ωB97XD | 6.5 | 14.1 | 8.0 | 18.2 |
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.