UT theoretical chemistry code forum

thanks for the help. I realized I made a mistake for viewing the geometry. In frequency calculation, I ignored the i sign. Sorry for my silly quesiton.

Dear administrators, I just started using NEB to search for TS for a H2 dissociation onto a graphite sheet. I used a total of 8 images. The results look fine. For exmaple, in neb.dat, I have a clear energy maximum at image 7. Presumably, one would consider that as a TS, am I right? However, the geom...