F Ghorbani Naieni - Master of Ph ysical Chemistry , Basirat Research House student, Shahre-Rey Branch,Tehran,Iran
A Bahmanei - Ma ster of Physic s , Basirat Res earch House student , Shahre-Rey Branch ,Tehran, Iran
L Nassaji jahromi - M aster of Physical Chemistry , Education, Shahre-Rey Bra nch( Ray۲),Te hran, Iran
Z Tajekei - Ashura High School , Shahre-Rey Bra nch( Ray ۲) ,T ehran, Iran
SH aderpour - Ashura High School , Shahre-Rey Bra nch( Ray ۲) ,T ehran, Iran

Density functional theory (DFT) at B۳L YP/۶-۳۱++G(d,p) level was empl oyed to cal culate intram olecular hydrogen bond orto benzoic acid and O…H bond length. Also , we investigated the effect of the number of diethylether molecul es present o n the orto benzoic acid by determ ining the I HB energy.

Orto benzoic acid,Density fun ctional theo ry,Intramolecular hydro gen bond