Gaussian 03 Online Manual
Last update: 2 October 2006


The Output keyword requests output of Fortran unformatted files. Its options control the contents of the created file.

Write a PROAIMS wavefunction (.wfn) file. The name for the created file is read from the input stream, on a separate line. PSI is a synonym for WFN.

Write g tensors and other tensors for hyperfine spectra [272,273,274,275,277,279] to the output file in the form of input for Pickett's program [280] (see The following tensors can be computed by Gaussian 03 [207,212,213,214,276,278]:

  • Nuclear electric quadrupole constants: all jobs

  • Rotational constants: Freq=(VibRot[,Anharmonic])

  • Quartic centrifugal distortion terms: Freq=(Anharmonic)

  • Electronic spin rotation terms: NMR

  • Nuclear spin rotation terms: NMR

  • Dipolar hyperfine terms: all jobs

  • Fermi contact terms: all jobs

Read a list of the atoms to include in the input for Pickett's program (note that this program only accepts tensors for eight nuclei). Atoms numbers are specified in free format, and this input section is blank-terminated. By default, eight "interesting" atoms are selected automatically by the program.