(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 "B 1Sigma+ grid"
symmetry +
type   grid 
lambda 0
mult   1
values
0.634684 149525.4
0.644289 145436.6
0.665599 138704.2
0.698199 130526.5
0.72595 125659.1
0.755152 120511.1
0.791002 116649.9
0.817228 114579.2
0.853416 112116.7
0.888943 110521.3
0.924805 109429.6
0.960335 108491.6
1.006659 107609.5
1.044679 106643.5
1.079379 105607.7
1.125533 104054.1
1.150661 103173.4
1.188743 101862.6
1.227353 100585.1
1.253312 99785.2
1.294293 98330
1.332376 96997
1.375861 95663.8
1.409859 94664
1.443594 93597.5
1.493669 92219.8
1.531621 91353
1.565093 90486.4
1.588811 89553.3
1.62281 88753.3
1.641786 88220
1.667088 87664.3
1.70346 87041.9
1.742467 86241.7
1.772514 85819.2
1.803087 85285.7
1.848159 84929.4
1.89692 84395.5
1.970396 84115.7
2.075 84113.5
2.160358 84393.6
2.180443 84463.7
2.200527 84604.2
2.219775 84674.3
2.239859 84744.4
2.259107 84885
2.277518 85025.5
2.297602 85236.6
2.31685 85377.2
2.336098 85588.2
2.365581 85762.1
2.402484 86138.8
2.445186 86448.7
2.479191 86847.6
2.511877 87291
2.562224 87778.4
2.596492 88199.5
2.643412 88642.6
2.687696 89085.7
2.730137 89728.7
2.778903 90438.2
2.834522 91080.9
2.884606 91634.9
2.9252 92144.7
2.954459 92388.3
end 

INTENSITY
  absorption
  thresh_intes  1e-30
  thresh_line   1e-30
  temperature   10000  
  nspin 0.5  0.5
  linelist  2s-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 "<B1Sigma + |DMZ|  X1Sigma+ >"
spin   0.0 0.0
lambda 0  0
type   grid
factor   1   (0, 1 or i)
units angstrom ea0
values
0.525          0.07282
0.61804          0.0721
0.688          0.06602
0.74568          0.05072
0.79144          0.03061
0.82121          0.0225
0.86737          0.05368
0.89381          0.09058
0.9221          0.126
0.95372          0.19309
0.98328          0.25654
1.01847          0.33418
1.04383          0.42808
1.06543          0.51594
1.08796          0.59543
1.11425          0.67632
1.13585          0.75162
1.16025          0.80927
1.19032          0.88146
1.22012          0.95415
1.25141          1.01503
1.27971          1.06631
1.29982          1.10801
1.34674          1.17885
1.41896          1.25929
1.47406          1.31833
1.53809          1.37147
1.60497          1.42222
1.67531          1.46383
1.74612          1.48755
1.82068          1.49779
1.9107          1.48757
2.01102          1.45226
2.06868          1.41949
2.16068          1.35384
2.21128          1.30754
2.29159          1.22746
2.36718          1.15045
2.43096          1.08779
2.46875          1.05178
2.53076          0.98853
2.62288          0.90187
2.72918          0.8111
2.82958          0.72619
2.94652          0.64422
3.14734          0.55815
3.34698          0.47911
3.61751          0.38954
3.8971          0.30736
4.18661          0.24246
4.51706          0.1879
4.80285          0.15104
4.97552          0.13188
end