Program SPECTRA (version of January 2004) Spectra_for_fortVTT.90_by_frequency 163491 Energy levels read from stream 80 Ground state energy set to 0.0000000 cm-1 Sorting requested, list preselected using: Minimum frequency, WSMIN = 0.10000D+02 cm-1 Maximum frequency, WSMAX = 0.20000D+02 cm-1 Minimum energy, EMIN =-0.10000D+11 cm-1 Maximum energy, EMAX = 0.10000D+06 cm-1 Minimum linestrength, SMIN = 0.10000D-24 D**2 Maximum rotations JMAX = 500 25194444 transition records read from unit ITRA = 13 1010696 selected and written to unit ITEM = 16 call spmain Memory required to sort transitions 61.688 MB Sort completed successfully 94 secs CPU time used Even spin factor = 1.000 odd spin factor = 1.000 Temperature set to: 300.00 K Minimum relative intensity required = 0.000100 Frequency range from 10.000 cm-1 to 20.000 cm-1 profile half width 1.220 Partition function set to Q = 0.14706D+03 Memory required to generate spectrum 73.254 MB SPECTM output requests: Plot file not requested Full line list written to stream ILIST = 36 Linelist printed using relative threshold PRTHR = 0.10D+00 Maximum emission coefficient = 0.109690E-19 units are erg/molecule/sr. Integrated band emission = 0.170212E-19 Transitions with lower state energy = -0.100000E+28 cm-1 to 0.500000E+12 cm-1 considered. Transitions with upper state energy = -0.100000E+28 cm-1 to 0.200000E+12 cm-1 considered. maximum allowed value of j" = 500 1010696 transitions within spectral range 24 transitions included 1010672 transitions neglected ipar j2 p2 i2 j1 p1 i1 index2 index1 e2 e1 freq s(f-i) abs i(w) rel i(w) a(if) 0 2 0 1 1 1 2 1796 602 46.170584 29.807803 16.362781 1.92873565E+00 3.735E-21 3.405E-01 5.300E-04 0 1 0 1 1 1 1 1376 601 32.495235 15.507335 16.987900 4.56579295E+00 1.097E-20 1.000E+00 2.340E-03 Spectrum completed successfully Job completed successfully 107 secs CPU time used