How is possible to find transition state of HCN molecule using Gaussian 09 software?

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Youssef Arfaoui

Dear Alebachew Ayaelw

Please find in this attached documents the IRC and TS log files for the HCN molecule.

Nigussie Alebachew Ayalew

Thanks Youssef Arfaoui for your response I will test it

Prabodh Ranjan

Also, You can follow the Gaussian Manual aswell. You will get full information about file preparation etc.

Juan V. Alegre-Requena

Dear Nigussie,

Check this webpage from Gaussian: "https://gaussian.com/opt/". In the "Set Opt. Goal" tab. You can find multiple strategies to find TSs (i.e. TS (Berny), QST2, QST3).