file of table as displayed below.
table and restart with new file.
7 of 8 columns
Row# Depiction of smiles Name LUMO HOMO IP deltaH dipole polarizability
#1 003595-0000 -0.9947 -9.0310 9.2327 55.177 5.575 22.018
#2 009750-0000 -1.146 -9.246 9.246 54.766 5.674 21.713
#3 009876-0000 0.405 -8.496 8.496 18.484 1.518 22.176
#4 009880-0000 0.435 -8.637 8.637 16.763 2.571 22.120
#5 010014-0000 -0.460 -8.475 8.475 73.287 1.249 27.013
5 of 99 rows