EXOMOL.def                                                                      # ID
(9Be)(2H)                                                                       # IsoFormula
9Be-2H                                                                          # Iso-slug
Darby-Lewis                                                                     # Isotopologue dataset name
20180212                                                                        # Version number with format YYYYMMDD
AYBCUKQQDUJLQN-UHFFFAOYSA-X                                                     # Inchi key of molecule
2                                                                               # Number of atoms
9                                                                               # Isotope number 1 
Be                                                                              # Element symbol 1 
2                                                                               # Isotope number 2 
D                                                                               # Element symbol 2 
  11.02628398 .1830957501e-25                                                   # Isotopologue mass (Da) and (kg)
C                                                                               # Symmetry group
2                                                                               # Number of irreducible representations
1                                                                               # Irreducible representation ID
Sigma+                                                                          # Irreducible representation label
12                                                                              # Nuclear spin degeneracy
2                                                                               # Irreducible representation ID
Sigma-                                                                          # Irreducible representation label
12                                                                              # Nuclear spin degeneracy
 5000.00                                                                        # Maximum temperature of linelist
0                                                                               # No. of pressure broadeners available
0                                                                               # Dipole availability (1=yes, 0=no)
0                                                                               # No. of cross section files available
0                                                                               # No. of k-coefficient files available
1                                                                               # Lifetime availability (1=yes, 0=no)
0                                                                               # Lande g-factor availability (1=yes, 0=no)
14950                                                                           # No. of states in .states file
1                                                                               # No. of quanta cases
dcs                                                                             # Quantum case label
7                                                                               # No. of quanta defined
+/-                                                                             # Quantum label 1
A1 %1s                                                                          # Format quantum label 1
Parity                                                                          # Description quantum label 1
e/f                                                                             # Quantum label 2
A1 %1s                                                                          # Format quantum label 2
Rotationless-parity                                                             # Description quantum label 2
State                                                                           # Quantum label 3
A10 %10s                                                                        # Format quantum label 3
Notation of the electronic state                                                # Description quantum label 3
v                                                                               # Quantum label 4
I3 %3d                                                                          # Format quantum label 4
State vibrational quantum number                                                # Description quantum label 4
Lambda                                                                          # Quantum label 5
I2 %2d                                                                          # Format quantum label 5
Projection of the electronic angular momentum                                   # Description quantum label 5
Sigma                                                                           # Quantum label 6
F7.5 %5.1f                                                                      # Format quantum label 6
Projection of the electronic spin                                               # Description quantum label 6
Omega                                                                           # Quantum label 7
F5.1 %5.1f                                                                      # Format quantum label 7
Omega = Lambda + Sigma, projection of the total angular momentum                # Description quantum label 7
Rotationless-parity                                                             # Description quantum label 4
689466                                                                          # Total number of transitions
1                                                                               # No. of transition files
40000.00                                                                        # Maximum wavenumber (in cm-1)
40000.00                                                                        # Higher energy with complete set of transitions (in cm-1)
 5000.00                                                                        # Maximum temperature of partition function
 1.00                                                                           # Step size of temperature
0                                                                               # Cooling function availability (1=yes, 0=no)
0.0700                                                                          # Default value of Lorentzian half-width for all lines (in cm-1/bar)
0.500                                                                           # Default value of temperature exponent for all lines