Malocclusion is considered as a developmental disorder rather than a disease, and it may be affected by the composition and proportions of masseter muscle fibers. Orthodontics is a specialty of dentistry that deals with diagnosis and care of various irregular bite and/or malocclusion. Recent developments of 3D scanner and 3D printing technology has led to the use of a removable thermoplastic aligner (RTA), which is widely used due to its aesthetic excellence, comfortableness, and time efficiency. However, orthodontics using only an RTA has lower treatment efficacy and accuracy due to the differing movement of teeth from the plan. In order to improve these disadvantages, attachments were used, and biomechanical analyses were performed with and without them. However, there is insufficient research on the movement of teeth and the transfer of load according to the attachment position and shape. Therefore, in our study, we aimed to identify the optimal shape and position of attachments by analyzing various shapes and positions of attachments. Through 3D finite element analysis (FEA), simple tooth shape and mandibular canine shape were extracted in order to construct the orthodontics model which took into account the various shapes and positions of attachments. The optimal shape of a cylinder was derived through the FEA of simple tooth shape and analyzing various positions of attachments on teeth revealed that fixing the attachments at the lingual side of the tooth rather than the buccal side allowed for torque control and an effective movement of the teeth. Therefore, we suggest fixing the attachments at the lingual side rather than the buccal side of the tooth to induce effective movement of teeth in orthodontic treatment with the RTA in case of canine teeth.