<div dir="ltr">*** Conversion factors ***<br><br> [u] -> [a.u.]                                              1.82288848426455E+03<br> [Angstrom] -> [Bohr] = [a.u.]                              1.88972613288564E+00<br> [a.u.] = [Bohr] -> [Angstrom]                              5.29177208590000E-01<br> [a.u.] -> [s]                                              2.41888432650478E-17<br> [a.u.] -> [fs]                                             2.41888432650478E-02<br> [a.u.] -> [J]                                              4.35974393937059E-18<br> [a.u.] -> [K]                                              3.15774647902944E+05<br> [a.u.] -> [kJ/mol]                                         2.62549961709828E+03<br> [a.u.] -> [kcal/mol]                                       6.27509468713739E+02<br> [a.u.] -> [Pa]                                             2.94210107994716E+13<br> [a.u.] -> [bar]                                            2.94210107994716E+08<br> [a.u.] -> [atm]                                            2.90362800883016E+08<br> [a.u.] -> [eV]                                             2.72113838565563E+01<br> [a.u.] -> [Hz]                                             6.57968392072181E+15<br> [a.u.] -> [1/cm] (wave numbers)                            2.19474631370540E+05<br> [a.u./Bohr**2] -> [1/cm]                                   5.14048714338585E+03<br></div>