Abstract This study explores the nuclear magnetic shielding, chemical shifts, and the optoelectronic properties of the BiMnVO 5 compound using the full-potential linearized augmented plane wave method within the generalized gradient approximation by employing the Hubbard model (GGA + U). The 209 Bi and 51 V chemical shifts and bandgap values of the BiMnVO 5 compound in a triclinic crystal structure are found to be directly related to Hubbard potential. The relationship between the isotropic nuclear magnetic shielding σ iso and chemical shift δ iso is obtained with a slope of 1.0231 and − 0.00188 for 209 Bi and 51 V atoms, respectively. It is also observed that the bandgap, isotropic nuclear magnetic shielding, and chemical shifts increase with the change in Hubbard potentials (U) of 3, 4, 5, 6, and 7.