1. more methane2.input
%chk=ftirone.chk
%mem=3840MB
%nproc=2
# hf/6-31g Opt Freq
Title-niobium trimer Annette ready
0 1
H 0.48384 -0.15591 0.97346
C 0.01306 0.00032 0.00148
H 0.68393 0.18542 -0.83900
O -1.18084 -0.02983 -0.13594
End