Vibrational assignment of the spectral data, molecular dipole moment, polarizability, first hyperpolarizability, HOMO-LUMO and thermodynamic properties of 5-nitoindan using DFT quantum chemical calculations

In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra, hyperpolarizability, HOMO, LUMO, NMR analysis of 5-nitroindan.