* Points read from CuH.pot 1.400 -1655.6709986237 1.410 -1655.6713227353 1.420 -1655.6715820284 1.430 -1655.6717794282 1.440 -1655.6719177207 1.450 -1655.6719995610 1.460 -1655.6720274837 1.470 -1655.6720039142 1.480 -1655.6719311794 1.490 -1655.6718115179 ** SPECTROSCOPIC CONSTANTS: ======================================================================== * Polynomial fit of order: 6 * Coefficients: c( 0): -1.650552E+03 c( 1): -5.427730E+00 c( 2): 9.113398E-01 c( 3): 1.096809E+00 c( 4): -6.424086E-01 c( 5): 1.360556E-01 c( 6): -1.052881E-02 * Chi square : .4378E-19 * Chi square per point: .4378E-20 * Number of singularities(SVD): 0 * Local minimum : 1.46035 Angstroms * Expected energy : -1.6556720275E+03 Hartrees * MASSES: Atom A : 62.9296 Atom B : 1.0078 Reduced mass: 0.9919 ------------------------------------------------------------------------ * Force constant : 2.2410E+02 N/m * Frequency : 5.87047E+13 Hz 1.95818E+03 cm-1 * Mean displacement in harmonic ground state: 0.1317 Angstroms corresponding to interval: [ 1.3286, 1.5921] ------------------------------------------------------------------------ * Third derivative (au) : -0.3511591698D+00 * Fourth derivative (au) : 0.7718829355D+00 * Fourth derivative (Morse estimate) : 0.6663206738D+00 -13.68 \\% * Omega*x_e : 3.45707E+01 cm-1 ------------------------------------------------------------------------