L. R. Brown, M. R. Gunson, R. A. Toth, F. W. Irion, C. P. Rinsland, and A. Goldman, "1995 Atmospheric Trace Molecule Spectroscopy (ATMOS) linelist," Appl. Opt. 35, 2828-2848 (1996)
The Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment uses a Fourier-transform spectrometer on board the Space Shuttle to record infrared solar occultation spectra of the atmosphere at 0.01-cm−1 resolution. The current version of the molecular spectroscopic database used for the analysis of the data obtained during three Space Shuttle missions between 1992 and 1994 is described. It is an extension of the effort first described by Brown et al. [Appl. Opt. 26, 5154 (1987)] to maintain an up-to-date database for the ATMOS experiment. The three-part ATMOS compilation contains line parameters of 49 molecular species between 0 and 10000 cm−1. The main list, with nearly 700,000 entries, is an updated version of the HITRAN 1992 database. The second compilation contains supplemental line parameters, and the third set consists of absorption cross sections to represent the unresolvable features of heavy molecules. The differences between the ATMOS database and other public compilations are discussed.
Fredrick W. Irion, Michael R. Gunson, Geoff C. Toon, Albert Y. Chang, Annmarie Eldering, Emmanuel Mahieu, Gloria L. Manney, Hope A. Michelsen, Elizabeth J. Moyer, Michael J. Newchurch, Gregory B. Osterman, Curtis P. Rinsland, Ross J. Salawitch, Bhaswar Sen, Yuk L. Yung, and Rodolphe Zander Appl. Opt. 41(33) 6968-6979 (2002)
L. S. Rothman, R. R. Gamache, A. Goldman, L. R. Brown, R. A. Toth, H. M. Pickett, R. L. Poynter, J.-M. Flaud, C. Camy-Peyret, A. Barbe, N. Husson, C. P. Rinsland, and M. A. H. Smith Appl. Opt. 26(19) 4058-4097 (1987)
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Summary of the ATMOS Main and Supplemental Molecular Parameters
Mol#
Molecule
#Lines
FMIN cm−1
FMAX cm−1
#ISO
#VIB
#Bands
Total Intensity Sum cm−1/molec·· cm−2 296 K
1
H2O
31016
0.40
9999.49
3
45
73
7.279 ×10−17
2
CO2
60790
442.00
9648.00
8
319
589
1.126 ×10−16
3
O3
196415
0.02
4060.78
5
92
104
1.836 ×10−17
4
N2O
26249
0.83
5131.24
5
113
162
7.196 ×10−17
5
CO
3600
3.46
8464.88
5
9
41
1.059 ×10−17
6
CH4
45456
0.01
6184.49
3
40
51
1.772 ×10−17
7
O2
1619
0.00
9468.43
3
6
9
9.107 ×10−24
s 7
O2
162
1432.50
1676.96
1
1
1
1.470 ×10−27
8
NO
7385
0.00
3966.00
3
42
50
4.730 ×10−18
9
SO2
26225
0.01
2526.03
2
6
7
4.122 ×10−17
10
NO2
44975
0.49
2938.37
1
9
9
6.241 ×10−17
11
MH3
5817
0.21
2153.76
2
14
16
4.457 ×10−17
12
HNO3
129741
0.03
1769.98
1
11
11
1.204 ×10−16
s 12
HNO3
8751
845.11
908.83
1
2
2
3.246 ×10−18
13
OH
3168
0.00
9997.35
3
39
43
4.554 ×10−17
14
HF
84
41.11
7994.58
1
5
5
7.326 ×10−17
15
HCl
324
20.24
8454.45
2
7
14
1.709 ×10−17
16
HBr
398
16.23
9758.56
2
8
16
6.187 ×10−18
17
HI
237
12.50
8487.30
1
9
9
1.096 ×10−18
18
CIO
6038
0.01
886.21
2
4
8
1.160 ×10−18
19
OCS
4096
493.26
4117.99
3
19
21
1.068 ×10−18
20
H2CO
2702
0.00
2998.52
3
8
10
2.326 ×10−17
s 20
H2CO
587
1707.09
1781.38
1
1
1
7.195 ×10−18
21
HOC I
15371
0.02
3799.68
2
4
8
3.235 ×10−17
s 22
HO2
6820
1032.06
3675.81
1
4
4
1.795 ×10−17
23
H2O2
5444
0.15
1499.48
1
2
2
1.872 ×10−17
s 24
HONO
2348
779.12
1711.70
1
1
1
2.059 ×10−17
c 25
HO2NO2
802.
804. (at 220K)
1.66 ×10−17
c 26
N2O5
1210.
1275.
4.21 ×10−17
s 27
C1ONO2
23264
763.64
1309.99
2
3
4
3.113 ×10−17
28
HCN
772
2.87
3421.96
3
6
8
3.086 ×10−17
s 29
CH3F
739
987.91
1089.13
1
1
1
1.806 ×10−17
30
CHgCl
10432
661.79
3172.92
2
4
8
5.783 ×10−18
s 30
CH3CI
621
1324.69
1460.14
2
2
3
1.163 ×10−18
c 31
CF4
1255.0
1289.
1.61 ×10−18
c 32
CCl2F2
810.
965.
5.95 ×10−17
c 33
CCI3F
810.
880.
6.95 ×10−17
s 34
CH3CCI3
251
1382.50
1385.00
1
1
1
1.25 ×10−19
c 35
cci4
770.00
809.99
5.14 ×10−17
36
COF2
33932
725.00
1981.27
1
7
7
1.195 ×10−16
s 37
CFCIO
2449
764.11
1907.92
1
2
2
3.957 ×10−17
38
C2He
10000
745.22
951.65
1
1
1
6.967 ×10−19
s 38
C2He
115
2976.63
2996.98
1
1
1
2.875 ×10−18
40
C2H2
1267
638.25
3374.22
2
8
9
4.103 ×10−17
41
N2
120
1992.62
2625.40
1
1
1
6.719 ×10−27
c 42
CHF2Cl (FTS)
780.
839.
2.05 ×10−17
c 42
CHF2Cl (TDL)
828.95
829.16
3.11 ×10−19
s 43
coci2
32871
828.54
1862.45
1
2
2
3.35 ×10−17
s 44
CH3Br
3421
871.32
1038.06
1
1
1
6.427 ×10−19
s 45
CH3I
2528
793.46
971.65
1
1
1
1.207 ×10−18
s 46
HCOOH
3388
1060.96
1161.25
1
1
1
1.757 ×10−17
47
H2S
661
994.12
1573.81
1
1
1
7.959 ×10−20
s 48
CHFCl2
9583
785.00
1099.99
1
1
1
5.284 ×10−17
49
HDO
8505
0.01
5507.54
2
9
10
7.694 ×10−21
c 50
SF6
940.42
952.23
5.243 ×10−17
The ATMOS Main list: 694359 lines from 0 to 9999 cm−1.
The ATMOS Supplemental list s: 116016 lines from 725 to 3675 cm−1.
The ATMOS Cross Section list c: 8 species from 770 to 1289 cm−1.
Table 2
Sample of the 1995 ATMOS Main and Supplemental Linelistsa
Molecule
#
Iso
Position
Intensity
E
Air-γ
Self-γ
R2
n
Shift
VUP
VLO
Rotational
acc
refs
O3
3
1
971.210600
5.010E–25
2497.4550
0.0691
0.0849
1.678E–02
0.76
0.000000
19
8
231311
241312
005
1
1
1
CO2
2
4
971.214903
7.000E–27
1410.1167
0.0790
0.1091
7.013E–04
0.70
0.000000
9
5
R
9
425
1
1
1
O3
3
2
971.221900
1.000E–24
1216.2510
0.0650
0.0890
1.612E–02
0.76
0.000000
5
1
52
548
53
549
002
1
1
2
COF2
36
1
971.229400
1.361E–21
50.1023
0.0845
0.1750
0.000E+00
0.94
0.000000
10
1
12
9
4
11
9
3
000
0
111
CH3Br
44
1
971.229500
2.040E–22
377.1063
0.1000
0.0000
0.000E+00
0.75
0.000000
27
14
33
3
33
2
COF2
36
1
971.229600
1.360E–21
50.1021
0.0845
0.1750
0.000E+00
0.94
0.000000
10
1
12
8
4
11
8
3
000
0
111
O3
3
2
971.230400
8.240E–25
1245.7990
0.0651
0.0890
1.562E–02
0.76
0.000000
5
1
51
744
52
745
002
1
1
2
O3
3
1
971.231000
4.470E–25
472.7870
0.0708
0.0914
7.651E–07
0.76
0.000000
5
1
26
621
25
818
005
1
1
1
CH3I
45
1
971.235400
6.000E–23
854.2444
0.1000
0.0000
0.00E+00
0.75
0.000000
27
14
47
9
46
8
O3
3
3
971.235500
1.010E–23
667.9365
0.0692
0.0905
1.669E–02
0.76
0.000000
5
1
34
728
35
729
005
1
1
1
CH3Br
44
1
971.239900
9.350E–23
404.9513
0.1000
0.0000
0.000E+00
0.75
0.000000
27
14
36
0
35
1
Table 3
Summary of Isotopes Codes and Abundances
Mol Num
Species
ISO Num
Old Code
Formula
Abundance
Mol Num
Species
ISO Num
Old Code
Formula
Abundance
1
H2O
1
161
H216O
0.9973
18
ClO
1
56
35Cl16O
0.7559
2
181
H218O
0.002000
2
76
35Cl16O
0.2417
3
171
H217O
0.000372
19
OCS
1
622
16O12C32S
0.9374
2
CO2
1
626
12C16O16O
0.9842
2
624
16O12C34S
0.04158
2
636
13C16O16O
0.01108
3
632
16O13C32S
0.01053
3
628
12C16O18O
0.003947
4
822
18O12C32S
0.001880
4
627
12C16O17O
0.000734
20
H2CO
1
126
H212C16O
0.9862
5
638
13C16O18O
0.00004434
2
136
H213C13O
0.01108
6
637
13C16O17O
0.00000825
3
128
H212C18O
0.00
7
828
12C18O18O
0.000003957
21
HOCl
1
165
H16O35Cl
0.7558
8
728
12C17O18O
0.00000147
2
167
H16O37Cl
0.2417
3
O3
1
666
16C16O16O
0.9929
22
HO2
1
HO2
1.0
2
688
16C16O18O
0.003982
23
H2O2
1
1661
H2O2
0.9950
3
888
16C18O16O
0.001991
24
HNO2
1
HNO2
1.0
4
667
16C16O17O
0.000744
25
HNO4
1
HNO4
1.0
5
676
16C17O16O
0.000372
26
N2O5
1
N2O5
1.0
4
N2O
1
446
14N14N16O
0.9903
27
ClONO2
ClONO2
1.0
2
456
14N15N16O
0.003641
28
HCN
1
124
H12C14N
0.9851
3
546
15N14N16O
0.003641
2
134
H13C14N
0.01107
4
448
14N14N18O
0.001986
3
125
H12C15N
0.003622
5
447
14N14N17O
0.000369
29
CH3F
1
CH3F
1.0
5
CO
1
26
12C16O
0.9865
30
CH3Cl
1
215
12CH335Cl
0.7489
2
36
13C16O
0.01108
2
217
12CH337Cl
0.2395
3
28
12C18O
0.001978
31
CF4
1
CF4
1.0
4
27
12C17O
0.000368
32
CCl2F2
1
CCl2F2
1.0
5
38
13C18O
0.00002222
33
CCl3F
1
CCl3F
1.0
6
CH4
1
211
12CH4
0.9883
34
CH3CCl3
1
CH3CCl3
1.0
2
311
13CH4
0.01110
35
CCl4
1
CCl4
1.0
3
212
12CH3D
0.0006158
36
COF2
1
COF2
0.9865
7
O2
1
66
16O16O
0.9953
37
COClF
1
COClF
1.0
2
68
16O18O
0.003991
38
C2H6
1
1221
C2H6
0.9770
3
67
16O17O
0.000742
39
C2H4
1
C2H4
1.0
8
NO
1
46
14N16O
0.9949
40
C2H4
1
1221
12C12CH2
0.9776
2
56
15N16O
0.003654
2
1231
12C13CH2
0.02197
3
48
14N18O
0.001993
41
N2
1
44
N2
0.9927
9
SO2
1
626
32SO2
0.9457
42
CHF2Cl
1
CHF2Cl
1.0
2
646
34SO2
0.04195
43
COCl2
1
COCl2
1.0
10
NO2
1
646
NO2
0.9916
44
CH3Br
1
CH3Br
1.0
11
NH3
1
4111
14NH3
0.9959
45
CH3l
1
CH3l
1.0
2
5111
15NH3
0.003661
46
HCOOH
1
HCOOH
1.0
12
HNO3
1
146
HNO3
0.9891
47
H2S
1
H232S
0.9499
13
OH
1
61
16OH
0.9975
2
H234S
0.049
2
81
18OH
0.002000
3
H233S
0.001
3
62
16OD
0.0001554
48
CHFCl2
1
CHFCl2
1.0
14
HF
1
19
HF
0.9998
15
HCl
1
15
H35Cl
0.7576
2
17
H37Cl
0.2423
49
HDO
1
162
HD16O
0.0003107
16
HBr
1
19
H79Br
0.5068
2
182
HD18O
0.0000006
2
11
H81Br
0.4931
17
Hl
1
17
Hl
0.9998
50
SF6
1
32SF6
0.9502
Table 4
Vibrational Quantum Numbers Corresponding to Linelist Index Code VUP and VLO
Estimated Intensity Uncertainties in Regions Used by ATMOS
Species
Region (cm−1)
% Acc. (2σ)
Recommendations/Comments
H2O
1380–1980
4
2960–3300
4
HDO
1420–1515
5
H218O
1415–1690
5
H217O
1455–1776
5
CO2
650–960
4
1910–2400
3
/may be 2%
3205–3630
3
/may be 2%
12C18O16O
1230–1385
5
O3
770–3170
4
higher cm−1 should be improved and abundance assumptions should be checked for both 668 and 686
O3-686
980–1000
10
O3-668
1090–1091
20
N2O
1150–3460
3
/may be 2%
CO
2070–2200
3
/may be 2%
CH4
1230–4315
3
CH3D
2950–3100
20
complete analysis needed
NO
1840–1920
3
NO2
1580–1640
4
2915–2925
6
HNO3
865–1730
15
hot bands needed
HF
3790–4140
3
HCl
2730–2980
3
OCS
2040–2055
8
HNO4
801–805
20
need data more/cross sections at 220 K only
N2O5
1210–1260
15
ClONO2
779–781
20
hot bands needed
HCN
3270–3360
4
CH3Cl
2966–2968
10
complete prediction needed/only partial list
CF4
1282–1285
10
CCl2F2
920–940
8
CCl3F
830–870
10
CCl4
776–783
20
COF2
772–774,
10
1936–1940
C2H6
2976–2977
10
complete prediction needed/only partial list
C2H2
755–776
6
CHClF2
828–829
10
SF6
945–952
10
/linelist on 1992 HITRAN should be removed
Tables (12)
Table 1
Summary of the ATMOS Main and Supplemental Molecular Parameters
Mol#
Molecule
#Lines
FMIN cm−1
FMAX cm−1
#ISO
#VIB
#Bands
Total Intensity Sum cm−1/molec·· cm−2 296 K
1
H2O
31016
0.40
9999.49
3
45
73
7.279 ×10−17
2
CO2
60790
442.00
9648.00
8
319
589
1.126 ×10−16
3
O3
196415
0.02
4060.78
5
92
104
1.836 ×10−17
4
N2O
26249
0.83
5131.24
5
113
162
7.196 ×10−17
5
CO
3600
3.46
8464.88
5
9
41
1.059 ×10−17
6
CH4
45456
0.01
6184.49
3
40
51
1.772 ×10−17
7
O2
1619
0.00
9468.43
3
6
9
9.107 ×10−24
s 7
O2
162
1432.50
1676.96
1
1
1
1.470 ×10−27
8
NO
7385
0.00
3966.00
3
42
50
4.730 ×10−18
9
SO2
26225
0.01
2526.03
2
6
7
4.122 ×10−17
10
NO2
44975
0.49
2938.37
1
9
9
6.241 ×10−17
11
MH3
5817
0.21
2153.76
2
14
16
4.457 ×10−17
12
HNO3
129741
0.03
1769.98
1
11
11
1.204 ×10−16
s 12
HNO3
8751
845.11
908.83
1
2
2
3.246 ×10−18
13
OH
3168
0.00
9997.35
3
39
43
4.554 ×10−17
14
HF
84
41.11
7994.58
1
5
5
7.326 ×10−17
15
HCl
324
20.24
8454.45
2
7
14
1.709 ×10−17
16
HBr
398
16.23
9758.56
2
8
16
6.187 ×10−18
17
HI
237
12.50
8487.30
1
9
9
1.096 ×10−18
18
CIO
6038
0.01
886.21
2
4
8
1.160 ×10−18
19
OCS
4096
493.26
4117.99
3
19
21
1.068 ×10−18
20
H2CO
2702
0.00
2998.52
3
8
10
2.326 ×10−17
s 20
H2CO
587
1707.09
1781.38
1
1
1
7.195 ×10−18
21
HOC I
15371
0.02
3799.68
2
4
8
3.235 ×10−17
s 22
HO2
6820
1032.06
3675.81
1
4
4
1.795 ×10−17
23
H2O2
5444
0.15
1499.48
1
2
2
1.872 ×10−17
s 24
HONO
2348
779.12
1711.70
1
1
1
2.059 ×10−17
c 25
HO2NO2
802.
804. (at 220K)
1.66 ×10−17
c 26
N2O5
1210.
1275.
4.21 ×10−17
s 27
C1ONO2
23264
763.64
1309.99
2
3
4
3.113 ×10−17
28
HCN
772
2.87
3421.96
3
6
8
3.086 ×10−17
s 29
CH3F
739
987.91
1089.13
1
1
1
1.806 ×10−17
30
CHgCl
10432
661.79
3172.92
2
4
8
5.783 ×10−18
s 30
CH3CI
621
1324.69
1460.14
2
2
3
1.163 ×10−18
c 31
CF4
1255.0
1289.
1.61 ×10−18
c 32
CCl2F2
810.
965.
5.95 ×10−17
c 33
CCI3F
810.
880.
6.95 ×10−17
s 34
CH3CCI3
251
1382.50
1385.00
1
1
1
1.25 ×10−19
c 35
cci4
770.00
809.99
5.14 ×10−17
36
COF2
33932
725.00
1981.27
1
7
7
1.195 ×10−16
s 37
CFCIO
2449
764.11
1907.92
1
2
2
3.957 ×10−17
38
C2He
10000
745.22
951.65
1
1
1
6.967 ×10−19
s 38
C2He
115
2976.63
2996.98
1
1
1
2.875 ×10−18
40
C2H2
1267
638.25
3374.22
2
8
9
4.103 ×10−17
41
N2
120
1992.62
2625.40
1
1
1
6.719 ×10−27
c 42
CHF2Cl (FTS)
780.
839.
2.05 ×10−17
c 42
CHF2Cl (TDL)
828.95
829.16
3.11 ×10−19
s 43
coci2
32871
828.54
1862.45
1
2
2
3.35 ×10−17
s 44
CH3Br
3421
871.32
1038.06
1
1
1
6.427 ×10−19
s 45
CH3I
2528
793.46
971.65
1
1
1
1.207 ×10−18
s 46
HCOOH
3388
1060.96
1161.25
1
1
1
1.757 ×10−17
47
H2S
661
994.12
1573.81
1
1
1
7.959 ×10−20
s 48
CHFCl2
9583
785.00
1099.99
1
1
1
5.284 ×10−17
49
HDO
8505
0.01
5507.54
2
9
10
7.694 ×10−21
c 50
SF6
940.42
952.23
5.243 ×10−17
The ATMOS Main list: 694359 lines from 0 to 9999 cm−1.
The ATMOS Supplemental list s: 116016 lines from 725 to 3675 cm−1.
The ATMOS Cross Section list c: 8 species from 770 to 1289 cm−1.
Table 2
Sample of the 1995 ATMOS Main and Supplemental Linelistsa
Molecule
#
Iso
Position
Intensity
E
Air-γ
Self-γ
R2
n
Shift
VUP
VLO
Rotational
acc
refs
O3
3
1
971.210600
5.010E–25
2497.4550
0.0691
0.0849
1.678E–02
0.76
0.000000
19
8
231311
241312
005
1
1
1
CO2
2
4
971.214903
7.000E–27
1410.1167
0.0790
0.1091
7.013E–04
0.70
0.000000
9
5
R
9
425
1
1
1
O3
3
2
971.221900
1.000E–24
1216.2510
0.0650
0.0890
1.612E–02
0.76
0.000000
5
1
52
548
53
549
002
1
1
2
COF2
36
1
971.229400
1.361E–21
50.1023
0.0845
0.1750
0.000E+00
0.94
0.000000
10
1
12
9
4
11
9
3
000
0
111
CH3Br
44
1
971.229500
2.040E–22
377.1063
0.1000
0.0000
0.000E+00
0.75
0.000000
27
14
33
3
33
2
COF2
36
1
971.229600
1.360E–21
50.1021
0.0845
0.1750
0.000E+00
0.94
0.000000
10
1
12
8
4
11
8
3
000
0
111
O3
3
2
971.230400
8.240E–25
1245.7990
0.0651
0.0890
1.562E–02
0.76
0.000000
5
1
51
744
52
745
002
1
1
2
O3
3
1
971.231000
4.470E–25
472.7870
0.0708
0.0914
7.651E–07
0.76
0.000000
5
1
26
621
25
818
005
1
1
1
CH3I
45
1
971.235400
6.000E–23
854.2444
0.1000
0.0000
0.00E+00
0.75
0.000000
27
14
47
9
46
8
O3
3
3
971.235500
1.010E–23
667.9365
0.0692
0.0905
1.669E–02
0.76
0.000000
5
1
34
728
35
729
005
1
1
1
CH3Br
44
1
971.239900
9.350E–23
404.9513
0.1000
0.0000
0.000E+00
0.75
0.000000
27
14
36
0
35
1
Table 3
Summary of Isotopes Codes and Abundances
Mol Num
Species
ISO Num
Old Code
Formula
Abundance
Mol Num
Species
ISO Num
Old Code
Formula
Abundance
1
H2O
1
161
H216O
0.9973
18
ClO
1
56
35Cl16O
0.7559
2
181
H218O
0.002000
2
76
35Cl16O
0.2417
3
171
H217O
0.000372
19
OCS
1
622
16O12C32S
0.9374
2
CO2
1
626
12C16O16O
0.9842
2
624
16O12C34S
0.04158
2
636
13C16O16O
0.01108
3
632
16O13C32S
0.01053
3
628
12C16O18O
0.003947
4
822
18O12C32S
0.001880
4
627
12C16O17O
0.000734
20
H2CO
1
126
H212C16O
0.9862
5
638
13C16O18O
0.00004434
2
136
H213C13O
0.01108
6
637
13C16O17O
0.00000825
3
128
H212C18O
0.00
7
828
12C18O18O
0.000003957
21
HOCl
1
165
H16O35Cl
0.7558
8
728
12C17O18O
0.00000147
2
167
H16O37Cl
0.2417
3
O3
1
666
16C16O16O
0.9929
22
HO2
1
HO2
1.0
2
688
16C16O18O
0.003982
23
H2O2
1
1661
H2O2
0.9950
3
888
16C18O16O
0.001991
24
HNO2
1
HNO2
1.0
4
667
16C16O17O
0.000744
25
HNO4
1
HNO4
1.0
5
676
16C17O16O
0.000372
26
N2O5
1
N2O5
1.0
4
N2O
1
446
14N14N16O
0.9903
27
ClONO2
ClONO2
1.0
2
456
14N15N16O
0.003641
28
HCN
1
124
H12C14N
0.9851
3
546
15N14N16O
0.003641
2
134
H13C14N
0.01107
4
448
14N14N18O
0.001986
3
125
H12C15N
0.003622
5
447
14N14N17O
0.000369
29
CH3F
1
CH3F
1.0
5
CO
1
26
12C16O
0.9865
30
CH3Cl
1
215
12CH335Cl
0.7489
2
36
13C16O
0.01108
2
217
12CH337Cl
0.2395
3
28
12C18O
0.001978
31
CF4
1
CF4
1.0
4
27
12C17O
0.000368
32
CCl2F2
1
CCl2F2
1.0
5
38
13C18O
0.00002222
33
CCl3F
1
CCl3F
1.0
6
CH4
1
211
12CH4
0.9883
34
CH3CCl3
1
CH3CCl3
1.0
2
311
13CH4
0.01110
35
CCl4
1
CCl4
1.0
3
212
12CH3D
0.0006158
36
COF2
1
COF2
0.9865
7
O2
1
66
16O16O
0.9953
37
COClF
1
COClF
1.0
2
68
16O18O
0.003991
38
C2H6
1
1221
C2H6
0.9770
3
67
16O17O
0.000742
39
C2H4
1
C2H4
1.0
8
NO
1
46
14N16O
0.9949
40
C2H4
1
1221
12C12CH2
0.9776
2
56
15N16O
0.003654
2
1231
12C13CH2
0.02197
3
48
14N18O
0.001993
41
N2
1
44
N2
0.9927
9
SO2
1
626
32SO2
0.9457
42
CHF2Cl
1
CHF2Cl
1.0
2
646
34SO2
0.04195
43
COCl2
1
COCl2
1.0
10
NO2
1
646
NO2
0.9916
44
CH3Br
1
CH3Br
1.0
11
NH3
1
4111
14NH3
0.9959
45
CH3l
1
CH3l
1.0
2
5111
15NH3
0.003661
46
HCOOH
1
HCOOH
1.0
12
HNO3
1
146
HNO3
0.9891
47
H2S
1
H232S
0.9499
13
OH
1
61
16OH
0.9975
2
H234S
0.049
2
81
18OH
0.002000
3
H233S
0.001
3
62
16OD
0.0001554
48
CHFCl2
1
CHFCl2
1.0
14
HF
1
19
HF
0.9998
15
HCl
1
15
H35Cl
0.7576
2
17
H37Cl
0.2423
49
HDO
1
162
HD16O
0.0003107
16
HBr
1
19
H79Br
0.5068
2
182
HD18O
0.0000006
2
11
H81Br
0.4931
17
Hl
1
17
Hl
0.9998
50
SF6
1
32SF6
0.9502
Table 4
Vibrational Quantum Numbers Corresponding to Linelist Index Code VUP and VLO