This is an example of the minimum input required to fit NASA-format data, which is at least four columns consisting of temperature (K), and species properties C
p
(cal/mole-K), H
(T) - H
(298) (kcal/mole), and 
(cal/mole-K). NASA data can be obtained from the Properties From Coefficients (PFC) [9]
program; request calorie-based units, and highlight, copy, and paste the resulting table into a text file. Defaults are PHAS=G , TMIN=300, TMAX=6000, the first and last positive data points, and H298
is the column 6 value at T=298.15, but keywords may be used to supersede the defaults.
Figure 7.6: DATA NASA Input File
SPEC OH
ELEM O 1
ELEM H 1
DATA NASA
! THERMODYNAMIC FUNCTIONS CALCULATED FROM COEFFICIENTS FOR OH
! T Cp H-H298 S -(G-H298)/T H delta Hf log K
! deg-K cal/mol-K kcal/mol cal/mol-K cal/mol-K kcal/mol kcal/mol
0 0. -2.106 0. INFINITE 6.803 8.853 INFINITE
200 7.293 -0.707 41.035 44.572 8.202 8.877 -8.9035
298.15 7.143 0.000 43.915 43.915 8.910
:
:
5900 9.620 48.463 67.672 59.458 57.373 6.636 0.3749
6000 9.625 49.425 67.834 59.596 58.335 6.573 0.3790
END