Input Files for Benchmark of one transition state of Formyl Cyanide

The following jobs were performed sequentially.

  1. HF optimization with 6-311G** basis set
  2. HF ZPVE with 6-311G** basis set
  3. MP2 optimization with 6-311G** basis set
  4. MP2 ZPVE with 6-311G** basis set
  5. QCISD optimization with 6-311G** basis set
  6. QCISD(T,E4T) single point energy with 6-311G** basis set