EXOMOL.def                                                                      # ID
(28Si)(16O2)                                                                    # IsoFormula
28Si-16O2                                                                       # Iso-slug
OYT3                                                                            # Isotopologue dataset name
20200201                                                                        # Version number with format YYYYMMDD
XMIJDTGORVPYLW-UHFFFAOYSA-N                                                     # Inchi key of molecule
3                                                                               # Number of atoms
28                                                                              # Isotope number 1
O                                                                               # Element symbol 1
1                                                                               # Isotope number 2
H                                                                               # Element symbol 2
  59.96675578 .9957714069e-25                                                   # Isotopologue mass (Da) and (kg)
C2v                                                                             # Symmetry group
4                                                                               # Number of irreducible representations
1                                                                               # Irreducible representation ID
A1                                                                              # Irreducible representation label
1                                                                               # Nuclear spin degeneracy
2                                                                               # Irreducible representation ID
A2                                                                              # Irreducible representation label
1                                                                               # Nuclear spin degeneracy
3                                                                               # Irreducible representation ID
B1                                                                              # Irreducible representation label
3                                                                               # Nuclear spin degeneracy
4                                                                               # Irreducible representation ID
B2                                                                              # Irreducible representation label
3                                                                               # Nuclear spin degeneracy
 3000.00                                                                        # 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
0                                                                               # Lifetime availability (1=yes, 0=no)
0                                                                               # Lande g-factor availability (1=yes, 0=no)
5688942                                                                         # No. of states in .states file
1                                                                               # No. of quanta cases
nltcs                                                                           # Quantum case label
12                                                                              # No. of quanta defined
Gamma                                                                           # Quantum label 2/Users/hyli/.Trash/1H2-32S__AYT2.states
I2 %2d                                                                          # Format quantum label 2
Symmetry block number (1)                                                       # Description quantum label 2
e/f                                                                             # Quantum label 2/Users/hyli/.Trash/1H2-32S__AYT2.states
a1 %1s                                                                          # Format quantum label 2
Kronig parity e/f                                                               # Description quantum label 2
v1                                                                              # Quantum label 6
I2 %2d                                                                          # Format quantum label 6
v1 symmetric stretch quantum number(3)                                          # Description quantum label 6
v2                                                                              # Quantum label 7
I2 %2d                                                                          # Format quantum label 7
v2 linear bend quantum number                                                   # Description quantum label 7
l2                                                                              # Quantum label 7
I2 %2d                                                                          # Format quantum label 7
l2 linear bend quantum number                                                   # Description quantum label 7
v3                                                                              # Quantum label 8
I2 %2d                                                                          # Format quantum label 8
v2 asymmetrics stretch quantum number                                           # Description quantum label 8
C                                                                               # Quantum label 6
f8.4 %8.4f                                                                      # Format quantum label 6
C_i largest contribution coefficient                                            # Description quantum label 6
n1                                                                              # Quantum label 6
I2 %2d                                                                          # Format quantum label 6
n1 TROVE stretch quantum number                                                 # Description quantum label 6
n2                                                                              # Quantum label 8
I2 %2d                                                                          # Format quantum label 8
n2 TROVE stretch quantum number                                                 # Description quantum label 8
n3                                                                              # Quantum label 7
I2 %2d                                                                          # Format quantum label 7
n3 bend quantum number                                                          # Description quantum label 7
Gamma_vib                                                                       # Quantum label 5
A2 %2s                                                                          # Format quantum label 5
vibrational symmetry label                                                      # Description quantum label 5
Ka                                                                              # Quantum label 9
I2 %2d                                                                          # Format quantum label 9
Ka rotational quantum number                                                    # Description quantum label 9
Gamma_rot                                                                       # Quantum label 5
A2 %2s                                                                          # Format quantum label 5
Rotatonal symmetry label                                                        # Description quantum label 5
32951275437                                                                     # Total number of transitions
60                                                                              # No. of transition files
 6000.00                                                                        # Maximum wavenumber (in cm-1)
 15000.00                                                                       # Higher energy with complete set of transitions (in cm-1)
  3000.00                                                                       # 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
