(HF B-X, 300.0 K)

atoms H  F 

molecule HF   

(Total number of states taken into account)
nstates 2

(Total angular momentum quantum  - a value or an interval)
jrot 0 - 100 

(solutionmethod LOBATTO)
(SOLUTIONMETHOD  5POINTDIFFERENCES)

(Defining the integration grid)
grid
  npoints         251
  range  0.5 3.00 
  type 0   (nsub)
  re 0.0 
end 


symmetry Cs(M)


DIAGONALIZER 
 SYEVR  (SYEVR)
end


CONTRACTION
  vib
  vmax  200          
  enermax 200000 
END


poten 1
name "X 1Sigma+"
symmetry +
type   Morse
lambda 0
mult   1
N  4
values
v0   0.00
re   0.916     
a0   2.2210  
De   48925.9296 
end

poten 2
name "2 Pi"
type   Morse
lambda 1
mult   1
N  4
values
v0   105699.412
re   1.027
a0   2.1264315
De   131412.5448 (Te + 25713.1328)
end


INTENSITY
  absorption
  thresh_intes  1e-30
  thresh_line   1e-30
  temperature   1000  
  nspin 0.5  0.5
  linelist   2p-x-L3.00-J60
  J,  0.0 - 60
  freq-window        0.0, 2000000.0
  energy low   0., 48925.9296 , upper   48925.9296, 200000.0
end


dipole  2 1
name "<C1Pi |DMZ|  X1Sigma+ >"
spin   0.0 0.0
lambda 1  0
type   grid
factor   1   (0, 1 or i)
units angstrom ea0
values
0.54296  0.13237
0.66582  0.16214
0.74835  0.19376
0.81588  0.22817
0.87778  0.26071
0.9275   0.29326
0.96877  0.32023
1.03629  0.33883
1.09913  0.37091
1.1676   0.39695
1.25575  0.40905
1.36547  0.40999
1.4508   0.39838
1.50518  0.38677
1.57551  0.36586
1.67615  0.33788
1.77996  0.30007
1.89485  0.25695
2.05345  0.19127
2.14611  0.17265
2.24453  0.14894
2.35469  0.12378
2.49956  0.10079
2.66929  0.08895
2.78792  0.08618
2.91545  0.08341
3.01204  0.10155
3.1621   0.13876
3.31615  0.181
3.5123   0.24311
3.7114   0.30291
3.93178  0.37552
4.22601  0.47161
4.5173   0.57287
4.7991   0.67198
end