../ 4_nitrophenol_4127.g03 13-Jul-2020 21:18 577 4_nitrophenol_4127.g03.out 13-Jul-2020 21:18 122K 4_nitrophenol_4127.g03.shifts 13-Jul-2020 21:18 157 4_nitrophenol_4127.mol 13-Jul-2020 21:18 1514 4_nitrophenol_4127_opt.pdb 13-Jul-2020 21:18 1552