Correlation data of (Z)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide via Spectroscopic methods and Density Functional Theory studies

All raw data are experimental Fourier Transform- Infrared (FT-IR) and carbon-13 Nuclear Magnetic Resonance (NMR) which obtained from Bruker Invenio S and Bruker Avance II 400 MHz machine, respectively. In addition, raw data for theoretical FT-IR, NMR, Molecular Electrostatic Potential and Highest Occupied Molecular Orbital – Lowest Unoccupied Molecular Orbital (HOMO – LUMO) from Gaussian 09 software are also included. All data are important in structure elucidation of the title compound.