T. Hirao and P.F. Bernath - Low-Lying Electronic States of CuBr

299
Low-lying electronic states of CuBr

T. Hirao and P.F. Bernath
Abstract: The A1 X 1 6 + and B 1 6 + X 1 6 + transitions of copper monobromide, CuBr,

were recorded with a Fourier transform spectrometer. The emission was generated by using
a hollow cathode discharge of Ar buffer gas and a mixture of Cu and CuBr powders. The
mass-dependent Dunham expansion formula was used to obtain improved molecular constants
for the ground, A and B states. These molecular constants provided RKR potential curves
and FranckCondon factors for the AX and BX transitions.
PACS No. 35.80
Rsum : Nous avons tudi les transitions A1 X 1 6 + et B 1 6 + X 1 6 + dans le CuBr
laide dun spectromtre transforme de Fourier. Lmission est gnre par dcharge
dans un mlange de poudres de Cu et de CuBr dans une cathode creuse contenant de lAr
comme gaz tampon. Nous avons utilis la formule de Dunham qui dpend de la masse pour
obtenir de meilleures valeurs pour les constantes molculaires du fondamental et des tats A
et B. Ces constantes permettent de dterminer les surfaces de potentiel RKR et les facteurs
de FranckCondon pour les transitions AX et BX.
[Traduit par la Rdaction]
1. Introduction
The spectra of transition metal-containing diatomic molecules have been studied for a long time.
Due to the presence of unpaired d-electrons on the transition metal, these molecules tend to have a
very dense electronic structure, as well as high spin and orbital angular momenta. The resulting local
and global perturbations are often responsible for many misunderstandings in the interpretation of the
spectra.
Among the transition metal-containing molecules, the copper monohalides (CuX, X = F, Cl, Br, I)
are expected to be relatively simple because they have closed-shell 1 6 + ground states. Moreover, all
of these molecules have been studied by millimetre wave spectroscopy in the 1970s, so very accurate
structural information is available for the ground state [14].
The excited electronic states of the copper monohalides were discovered by visible/UV spectroscopy.
However, it was incorrectly supposed before 1982 that all detected spectra of copper halides were due
to the transitions between X 1 6 + and other singlet states because of the selection rule, 1S = 0.
In 1982, Ahmed et al. [5] suggested that some low-lying electronic states of CuF were triplet states.
Later, Dufour et al. [6] interpreted the spectra with the aid of ab initio calculations. Brown and coworkers [710] and Jakob et al. [11] using laser methods were able to locate the low-lying a 3 6 + and
Received July, 1 2000. Accepted October 23, 2000. Published on the NRC Research Press Web site on May 11,
2001.
T. Hirao and P.F. Bernath.1 Department of Chemistry, University of Waterloo, Waterloo, ON N2L 3G1, Canada.
e-mail: thirao@Uwaterloo.ca and Department of Chemistry, University of Arizona, Tuscon, AZ 85721, U.S.A.
1
Corresponding author (e-mail: bernath@Uwaterloo.ca).
Can. J. Phys. 79: 299343 (2001)
DOI: 10.1139/cjp-79-2/3-299
2001 NRC Canada
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Can. J. Phys. Vol. 79, 2001
b3 states. The hyperfine structure was helpful in the characterization of these excited states. The
assignments of the electronic states were consistent with lifetime measurements [1214] and ab initio
calculations [6,15,16]. Moreover, Delaval and co-workers [17,18] set up rovibronic wave functions for
CuF from the experimentally observed and ab initio data. The aim was to understand the mixing of
energy levels through configuration interaction and spinorbit coupling [18]. This extensive work on
CuF has motivated additional studies of the excited states of other members of the copper monohalide
family such as CuBr.
The first spectroscopic studies of CuBr were carried out in the 1920s [19,20], which identified the
A1 X1 6 + (460510 nm), B 1 X1 6 + (420460 nm), and C 1 6 + X1 6 + (390460 nm) band
systems. Later, the D 1 6 + X1 6 + (370400 nm) system was photographed by Rao and Apparao in
1964 [21]. They also detected the CX transition of 63 Cu81 Br and obtained molecular constants for the
v = 0, 1 levels [22]. After Rai et al. measured the 01 and 20 bands of the DX system [23], Manson
et al. [4] detected the millimetre-wave spectrum of CuBr for all isotopomers, and obtained Dunham
coefficients and Dunham potential constants. Based on the quadrupole coupling constants of the 81 Br
nucleus, they estimated that the ionic-bonding character between Cu and Br was 66%. Later, Mishra
et al. [24] recorded the 00, 10, and 01 bands of the AX and BX transitions. They recorded P, Q,
and R branches for the BX transition, but only P- and Q-branches for the AX transition. After the
rotational analysis, it was found that the sign of the lambda doubling constants, qv , was different for
the A and B states. The positive sign of qv of the A state was said to be similar to other copper halides
[25,26], and the negative sign of qv in the B state was suggested to be the result of an interaction with
the C state.
After several years, Kowalczyk et al. [27] reported chemiluminescence from the reaction of Cu (2 D)
with Br2 , and discovered the triplet A0 state, which is located below the A state. They also mentioned
that the A state should be a triplet because of the unusual intensity ratio of the chemiluminescence [27].
Recently, Hikmet et al. [28] applied the technique of laser-induced fluorescence to this A0 state and
obtained molecular constants. Considering the analogy between the states of CuF, CuCl, and CuBr,
they suggested that A0 , A, B, and C states should be called a 3 6 + , b3 , A1 , and B 1 6 + states,
respectively. We will adopt this suggestion in our paper. Very recently, Sousa et al. [29] performed ab
initio calculations with scalar relativistic effects and a fully relativistic four component SCF-CI (SelfConsistent Field Configuration Interaction ) with the DiracCoulomb Hamiltonian. They suggested
the same labels for the low-lying excited states as Hikmet et al. [28], and predicted the presence of 1 1
and 3 1 states. They also calculated transition dipole moments for the AX and BX systems, and the
composition of the wave function for the B 1 6 + state, which consisted of 76% of pure B state and
12% of the pure X 1 6 + state, and some less important configurations [29].
In this study, the AX and BX bands in the 450 nm region were recorded by Fourier transform
spectroscopy. Applying a comprehensive fit including the previous pure rotational transitions in the
ground state [3], conventional band constants and Dunham coefficients for the ground and A and B
states were obtained. Based on the molecular constants, RydbergKleinRees (RKR) potential curves
and FranckCondon factors were calculated. Considering the interactions between the low-lying states,
we estimated the mixing of the wave function of the B state with the ground state.
2. Experimental
An emission spectrum of CuBr was generated using a hollow cathode lamp. The hollow cathode was
made of copper and had a hole with a diameter of 6 mm. To put more CuBr powder inside the cathode, a
copper foil was shaped and inserted into the hole of the cathode. A few grams of a mixture of copper(I)
bromide (Aldrich, 99%) and copper powder (Aldrich, 99%) were placed in the hollow cathode. A current
of 100 mA was applied to generate a discharge with an Ar buffer gas (2 Torr) (1 Torr = 133.32 Pa).
Emission from the hollow cathode was focused with a lens into the aperture of the emission port of our
spectrometer.
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301
Fig. 1. Overview spectra of CuBr A1 X 1 6 + and B 1 6 + X 1 6 + systems.
The AX and BX transitions of CuBr were recorded with the Bruker IFS 120HR Fourier transform
spectrometer (FTS) at the University of Waterloo [30]. A visible quartz beamsplitter was utilized. To
enhance the sensitivity, a photomultiplier tube (PMT) was set at the back parallel exit. We also
inserted a 450 nm red pass filter (CORION LG-450-S) at the emission port and a 550 nm blue pass
filter (CORION LS-550-S) in front of the PMT. The optical filters were necessary to eliminate the
intense atomic lines outside the observed wave-number region to improve the signal-to-noise ratio. The
emission spectra were recorded in the spectral range from 21 000 to 26 000 cm1 at a spectral resolution
of 0.03 cm1 . In total, 12 scans were co-added. An overview spectrum of the 450 nm region is displayed
in Fig. 1. Note that we also succeeded in detecting the weaker b3 X1 6 + transition, but the spectra
were not as good as the AX and BX bands.
Spectral line positions were measured by using the program PC-DECOMP written by J. Brault.
Because all spectra were recorded with the spectrometer vented, the line positions were systematically
shifted by the refractive index of air [31,32]. To obtain vacuum wave numbers from the observed air
wave numbers, we applied the polynomial conversion formula described previously [30]. After this treatment, we calibrated all measured lines on the basis of the observed Ar atomic line positions. The standard
line positions were taken from ref. 33, and the calibration factor was obtained as 1.000 001 5375(71).
3. Analysis
As illustrated in Fig. 1, the spectra show alternate AX and BX vibrational bands from 22 000
to 24 000 cm1 . In the first step, we tried to identify 00 bands, which should not show the isotopic
splitting associated with the different Cu and Br nuclei. Figures 2 and 3 present these bands. The lines
are denser near the band origin in Fig. 2 than in Fig. 3 because of the presence of the Q branch in
the A1 X 1 6 + transition. Although the band heads in Figs. 2 and 3 do not show visible isotopic
splittings, all branches were generally split into two series with similar intensities when J increases.
Because of this bromine isotopic splitting, we were able to successfully apply combination differences
using molecular constants in the ground state [4] to assign these 00 bands. For the other vibrational
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Fig. 2. A portion of the A1 X 1 6 + 00 band of CuBr.
Fig. 3. A portion of the B 1 6 + X 1 6 + 00 band of CuBr.
bands such as 01 and 10, the assignment was straightforward, although the spectra were very dense.
However, we could not find the 11 band in either the AX or BX transitions.
To obtain effective molecular constants from the assigned spectra, we applied the conventional band
constant formula and the mass-dependent Dunham expansion formula [34] in a least-squares fitting
procedure, including the previous millimetre wave data [4]. For the 1 6 state, the energy levels are
represented by the following expression:
E (v, J ) =
X
i,j
Yij v +

1 i
2
[J (J + 1)]j
(1)
where Yij is a mass-dependent Dunham constant. For the 1 state, the lambda-doubling terms E3 (v, J )
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303
Table 1. Observed band head positions of CuBr.a
AX system
v 00
v
1
2
23 029.110
23 029.110
23 029.110
23 029.110
23 310.946
23 309.468
22 716.300
22 718.083
22 719.042
22 720.823
23 277.304
23 276.004
22 687.242
22 689.185
BX system
v 00
v
23 452.204
23 452.204
23 452.204
23 452.204
23 744.787
23 743.229
24 035.134
24 032.007
23 139.336
23 141.081
23 141.953
23 143.813
23 722.348
23 720.857
22 828.408
22 831.843
22 833.303
22 837.190
23 121.012
23 122.803
(b)
22 524.502
22 811.973
22 815.456
1
2
In cm1 . The band head positions in the first, second, third, and
fourth lines in each block indicate the data for 63 Cu79 Br, 63 Cu81 Br,
65 Cu79 Br, and 65 Cu81 Br isotopomers, respectively.
b
This head is coincidentally overlapped with an Ar II line.
a
are added to expression (1)

E3 (v, J ) =
X
i,j 6=0,0

Qij
1
v+
2
i
[J (J + 1)]j
(2)
In formula (2), Qij is a 3-doubling constant and the signs + and correspond to e and f parity levels,
respectively. In the band constant expression, the 3-doubling term in the 1 state is represented by
formula (3)
E3 (v, J ) =
i
1h
qv J (J + 1) + qDv {J (J + 1)}2 + ...
2
(3)
In total, we identified more than 3500 lines for the 63 Cu79 Br and 63 Cu81 Br isotopomers (Tables A1
and A2), while only band head positions were available for 65 CuBr species (Table 1). Vibrational
assignments were made up to v = 3 for the ground state and v = 2 for the A and B states. The effective
mass-dependent Dunham constants are listed in Tables 2 and 3. The quality of fit was indicated by the
dimensionless standard error, f
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Table 2. Effective Dunham constants for 63 Cu79 Br.a
Y00
Y10
Y20
Y30 103
Y01
Y11 104
Y21 106
Y02 108
Y12 1010
Y03 1014
Q01 105
Q11 106
X1 6 +
A1
B 16+
314.8192(23)
0.95755(140)
1.71(24)
0.101926218(30)
4.52115(17)
0.6705(36)
4.27201(143)
1.41(25)
0.73(23)
23 042.5776(17)
284.6902(21)
1.34712(73)
0.09619951(68)
4.9426(49)
3.885(139)
4.3937(142)
4.05(31)
2.49(98)
3.8083(75)
0.970(49)
23 460.9197(16)
294.9442(21)
1.13362(69)
0.09430633(40)
4.3296(46)
0.674(130)
3.8223(43)
2.33(15)
1.03(28)
All parameters are in cm1 . The numbers in parentheses indicate one standard error for the
last significant digits.
Table 3. Effective Dunham constants for 63 Cu81 Br.a

Y00
Y10
Y20
Y30 103
Y01
Y11 104
Y21 106
Y02 108
Y12 1010
Y03 1014
Q01 105
Q11 106
X1 6 +
A1
B 16+
313.0987(22)
0.95114(137)
2.24(23)
0.100809727(23)
4.44707(16)
0.6553(35)
4.18091(132)
1.56(22)
0.33(27)
23 042.5909(17)
283.1052(22)
1.32534(73)
0.09514261(69)
4.8038(51)
5.462(146)
4.2987(143)
4.42(31)
1.10(99)
3.6835(74)
1.037(50)
23 460.92697(142)
293.3056(18)
1.11477(59)
0.09326909(30)
4.2075(26)
2.254(80)
3.7294(36)
3.452(86)
0.56(28)
All parameters are in cm1 . The numbers in parentheses indicate one standard error for the
last significant digits.
(
f =
)1/2
N
X
1
ycalc (i) yobs (i) 2
N M
u (i)
(4)
i=1
where N and M are the total number of experimental data and parameters varying in the fit, respectively,
yobs (i) and ycalc (i) are ith observed and calculated data, and u(i) is an uncertainty for yobs (i). In our fit
for Cu79 Br and Cu81 Br, f was to be 1.217 and 1.195, respectively.
4. Discussion
When the BornOppenheimer approximation is valid, the mass-dependent Dunham constants Yij
are simply related to the molecular reduced mass, [35]
Yij (i+2j )/2
(5)
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Hirao and Bernath
305
Table 4. FranckCondon factors for the AX system.
v 00
v0
0
1
2
0.5333
0.3428
0.1033
1
0.3273
(0.0747)a
0.3327
2
0.1092
0.2957
(0.0013)
3
(0.0251)
(0.1976)
(0.1703)
a
The numbers in parentheses are the FranckCondon factors of
bands that were not seen in our spectra.
Table 5. FranckCondon factors for the BX system.

v 00
v
0
1
2
0.3119
0.3620
0.2128
0.3658
(0.0080)a
0.1260
2
0.2134
0.1301
(0.1271)
3
0.0811
0.2438
(0.0054)
The numbers in parentheses are the FranckCondon factors of

bands that were not seen in our spectra.
where is the reduced mass of the molecules. For the lambda-doubling constant, Q01 , a simple pure
precession theory gives
Q01
X l (l + 1) h6 |B (r)| i2
1E6
v0
(6)
and

B (r) =
h
8 2 c
1
r 2
(7)
where 1E6 is the energy difference between the upper 1 6 state and the lower 1 state. In the case
of the A state of CuBr, the orbital angular momentum l is equal to 2, assuming that the A1 state
has a Cu+ 3d 1 configuration and the B 1 6 + state is represented by Cu+ 3d 1 (see below). The
Dunham coefficients listed in Tables 2 and 3 generally obey (5) and (6), indicating that CuBr obeys the
BornOppenheimer approximation, as expected for a heavy system.
We also calculated RKR potential curves [36], equilibrium bond length, and FranckCondon factors
[37] from our Dunham coefficients. The equilibrium bond lengths in the ground, A and B states were
calculated to be 2.173 453 55(31), 2.223 7210(72), and 2.259 5547(46) , respectively. The calculated
FranckCondon factors for the AX and BX systems are listed in Tables 4 and 5, respectively. As
mentioned above, we did not see any 11 bands, consistent with our calculated FranckCondon factors.
The observed values for qv of 63 Cu79 Br for the A1 state obtained in a band constant fit have only
a small vibrational dependence, 7.6954(108) 105 , 7.9477(117) 105 , and 8.0580(145)
105 cm1 for v = 0, 1, and 2, respectively. These values are consistent with the relationship

1
Q11
qv = 2 Q01 + v +
(8)
2
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However, these values should be very influenced by the location of the vibrational levels of the B 1 6 +
state, because the difference in energy between the A and B states is very similar to the vibrational
intervals. The dominant electronic configurations for the X1 6 + , A1 , and B 1 6 + states are
X 1 6 + : (core)(13 )2 (14 )2 (7)4 (3)4 (15 )2 (8 )4
A1 : (core)(13 )2 (14 )2 (7)4 (3)4 (15 )2 (8 )3 (16 )1
B 1 6 + : (core)(13 )2 (14 )2 (7)4 (3)4 (15 )1 (8 )4 (16 )1
Considering these electronic configurations, we can estimate qv from our RKR potentials and the simple
pure precession theory:

X 2l (l + 1) v 0 |B(r)| v 2
qv =
1Ev 0 v
0
(9)
Considering the interaction between the pure A and pure B states and taking the matrix element
< v 0 |B(r)|v > into account, one can calculate the theoretical lambda-doubling constants for each
vibrational level. Three calculations were carried out:
(a) only considering the vibrationally diagonal term, and l = 2 (calc1),
(b) considering |1v| < 6 and l = 1 (calc2), and
(c) considering |1v| < 6 and l = 2 (calc3).
We found that calc1 was unsatisfactory and that our observed values are approximately equal to (calc2)
and one third of (calc3). Because the electronic configurations come from the excitation of a 3d electron
on Cu+ , l should not be 1 but should have a value of 2. However, our calculation does not reproduce
the values of qv with l = 2. This effect was also seen in CuF [5] and CuCl [38].
Delaval et al. discussed the origin of these differences between the observed parameters and predicted
values from the pure precession model in the case of CuF [18]. One possibility is that the actual valence
electron (or hole) has not only the 3d character of Cu+ but also 3p character of the ligand Br ion.
This means that l could have a value between 1 and 2. Secondly, because the 1 state also interacts
with other states such as C 1 1 and b3 0 through homogeneous and heterogeneous interactions [39],
the pure A1 state is already corrupted. Thirdly, because the ground state rises from the Cu+ (3d 10 )
configuration, configuration interaction between the ground and the B state reduces the Cu+ (3d 9 4s)
character of the B state. This configuration mixing was also predicted by the latest ab initio calculations
by Sousa et al. [29].
This third mechanism can be tested by assuming that the actual ground and B states are simply
represented by linear combination of pure ground and B state wave functions, while the A state is
weakly
with
the
perfectly pure. The other states like the C 1 1 and a 3 6 states are assumed
to interact

A1 state. The corrupted wave functions for the ground and B states, X1 6 + and B 1 6 + would
be

E
E p
E

1 +
(10)
X 6 = b X 1 6 + + 1 b2 B 1 6 +

E p
E
E

1 +
B 6 = 1 b2 X 1 6 + + b B 1 6 +
(11)

where b is the mixing coefficient, and X 1 6 + and B 1 6 + denote pure basis functions for the ground
and B state, respectively. The pure precession formula between the A state and corrupted B state
2001 NRC Canada
Hirao and Bernath
307
should be modified to

X 2l (l + 1) B, v 0 |B| A, v 2
qv =
1EB,v 0 A,v
v0

X 2l (l + 1) h

v 0 |B| A, v 2
v 0 |B| A, v 2 + 1 b2 X,
=
b2 B,
1EBv 0 Av
v0
p

v 0 |B| A, v
v 0 |B| A, v B,
+2b 1 b2 X,
(12)
By using formula (12) and l = 2, we obtain b2 = 0.842, 0.782, 0.714 for v = 0, 1, 2, respectively,
using approximate RKR potentials generated by using the constants of Table 2. These mixing ratios
are consistent with the ab initio value, 0.76 [29]. The observed effective l values are approximately the
same, consistent with configuration mixing of the X 1 6 + and B 1 6 + states.
5. Conclusion
We have recorded new Fourier transform emission spectra of the A1 X1 6 + and B 1 6 + X1 6 +
transitions of CuBr. Bands with v 0 = 02 and v" = 03 were rotationally analysed to obtain improved
spectroscopic constants. The 3-doubling in the A1 state was interpreted in terms of interaction with
B 1 6 + state.
Acknowledgements
We thank Professor R.W. Field for his valuable comments about configuration mixing. We also
thank Professor R.J. Le Roy for providing his computer programs for calculation of RKR potentials
and FranckCondon factors. T.H. is grateful to J.A. Metha for his assistance in reducing the data
with the program PC-DECOMP. This work was supported by the Natural Sciences and Engineering
Research Council of Canada (NSERC), and the Killam Foundation. Acknowledgement is also made to
the Petroleum Research Fund for a partial support.
References
1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
16.
17.
18.
19.
J. Hoeft, F.J. Lovas, E. Tiemann, and T. Trring. Z. Naturforsch. A25, 35 (1970).

E.L. Manson, F.C. De Lucia, and W. Gordy. J. Chem. Phys. 62, 1040 (1975).
F. Ahmed, R.F. Barrow, A.H. Chojnicki, C. Dufour, and J. Schamps. J. Phys. B: At. Mol. Phys. 15, 3801
(1982).
C. Dufour, J. Schamps, and R.F. Barrow. J. Phys. B: At. Mol. Phys. 15, 3819 (1982).
C.R. Brazier, J.M. Brown, T.C. Steimle. J. Mol. Spectrosc. 97, 449 (1983).
T.C. Steimle, C.R. Brazier, and J.M. Brown. J. Mol. Spectrosc. 91, 137 (1982).
C.R. Brazier, J.M. Brown, and M.P. Purnell. J. Mol. Spectrosc. 99, 279 (1983).
T.C. Steimle, C.R. Brazier, and J.M. Brown. J. Mol. Spectrosc. 110, 39 (1985).
P. Jakob, K. Sugawara, J. Wanner, A. Bath, and E. Tiemann. Can. J. Phys. 72, 1087 (1994).
R.E. Steele and H.P. Broida. J. Chem. Phys. 69, 2300 (1978).
J.M. Delaval, Y. Lefebvre, H. Bocquet, P. Bernage, and P. Niay. Chem. Phys. 111, 129 (1987).
I. Hikmet, P. Kowalczyk, and N. Sadeghi. Chem. Phys. Lett. 188, 287 (1992).
J.M. Delaval and J. Schamps. Chem. Phys. 100, 21 (1985).
A. Ramrez-Sols and J.P. Daudey. Chem. Phys. 134, 111 (1989).
J.M. Delaval and J. Schamps. Chem. Phys. 100, 21 (1985).
J.M. Delaval, J. Schamps, and C. Dufour. J. Mol. Spectrosc. 137, 268 (1989).
R.S. Mulliken. Phys. Rev. 26, 1 (1925).
2001 NRC Canada
308
20.
21.
22.
23.
24.
25.
26.
27.
28.
29.
30.
31.
32.
33.
34.
35.
36.
37.
38.
R. Ritschl. Z. Phys. 42, 172 (1927).

P.R. Rao and K.V.S.R. Apparao. Proc. Indian Acad. Sci. 60, 57 (1964).
P.R. Rao and K.V.S.R. Apparao. Can. J. Phys. 45, 2805 (1967).
B. Rai, R.K. Pandey, S.N. Rai, and A.K. Chaudhary. Curr. Sci. 17, 459 (1971).
G.P. Mishra, R. Tripathi, S.B. Rai, K.N. Upadhya, and D.K. Rai. J. Mol Spectrosc. 85, 245 (1981).
G.P. Mishra, S.B. Rai, and K.N. Upadhya. Curr. Sci. 48, 625 (1979).
G.P. Mishra, S.B. Rai, and K.N. Upadhya. Can. J. Phys. 57, 824 (1979).
P. Kowalczyk, I. Hikmet, and N. Sadeghi. Chem. Phys. 160, 73 (1992).
I. Hikmet, C. Dufour, and B. Pinchemel. Chem. Phys. 172, 147 (1993).
C. Sousa, W.A. De Jong, R. Broer, and W.C. Nieuwpoort. Mol. Phys. 92, 677 (1997).
T. Hirao, B. Pinchemel, and P.F. Bernath. J. Mol. Spectrosc. 202, 213 (2000).
B. Edln. Metrologia, 2, 71 (1966).
K. Birch and M.J. Downs. Metrologia, 30, 155 (1993).
G. Norln. Phys. Scr. 8, 249 (1973).
J.L. Dunham. Phys. Rev. 41, 721 (1932).
P.F. Bernath. Spectra of atoms and molecules. Oxford University Press, New York. 1995.
R.J. Le Roy. University of Waterloo Chem. Phys. Res. Rep. CP-425 (1992).
R.J. Le Roy. University of Waterloo Chem. Phys. Res. Rep. CP-642 (2000).
T. Parekunnel, L.C. OBrien, T.L. Kellerman, T. Hirao, M. Elhanine, and P.F. Bernath. J. Mol. Spectrosc.
206, 27 (2001).
39. H. Lefebvre-Brion and R.W. Field. Perturbations in the spectra of diatomic molecules. Academic Press,
New York. 1986.
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2
3
4
5
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9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
(0, 0) Ree
4
33
15
8
14
30
7
2
9
16
21
26
29
4
8
5
8
5
0
8
5
16
19
26
1
23028.962
23028.887
23028.806
23028.715
23028.612
23028.499
23028.410
23028.282
23028.134
23027.981
23027.801
23027.626
23027.428
23027.228
23027.003
23026.773
23026.529
23026.307
c
oc
19 c
13
c
25
c
21
c
23
c
17
c
16
c
14
11
c
7
1
8
23029.044
23029.110
23029.110
23029.110
23029.110
23029.110
23029.044
79Br
23027.626
23027.801
23027.981
23028.134
23028.282
23028.410
23028.499
23028.612
23028.715
23028.806
23028.887
23028.962
81Br
23027.716
23027.889
23028.049
23028.212
23028.351
23028.499
23028.612
23028.715
23028.806
23028.887
23028.962
23029.044
23029.044
23029.110
23029.110
23029.110
23029.110
23029.110
23029.110
23029.110
23029.110
23029.044
23028.962
23028.887
23028.806
23028.715
23028.612
23028.499
23028.351
23028.212
23028.049
23027.889
23027.716
23027.520
23027.330
23027.104
23026.889
23026.643
23026.403
oc
26 c
c
21
14
c
21
c
16
c
32
c
24
c
17
10
5
4
c
22
30 c
5 c
34 c
52 c
58 c
53 c
37 c
9 c
31 c
16 c
4
4
0
5c
11 c
18 c
1c
5c
3
3c
7
0
10
5
4
7
1
6
0
12
14
9
20
5
8
6
12
11
14
3
3
1
17
10
7
6
12
5
4
3
11
2
23027.104
8
23027.003 2
23026.889 13
23026.773 14
23026.643 18
23026.529
4
23026.222
23026.045
23025.875
23025.682
23025.471
23025.266
23025.012
23024.785
23024.532
23024.251
23024.000
23023.689
23023.403
23023.094
23022.777
23022.429
23022.114
23021.743
23021.378
23020.994
23020.613
23020.214
23019.804
23019.373
23018.948
(0, 0) Qfe
oc
23027.330 17
23027.330 28
23027.228 16
79Br
Table A1. Observed line positions of the A1X 1+ system of CuBr.
7
2
8
1
10
11
10
19
24
oc
9
23023.825 3
23023.532 2
23023.235
6
23022.926 13
23022.574 11
23022.241 5
23021.896
0
23021.531 2
23021.164
4
23020.753 23
23020.377 3
23019.977
4
23019.543 12
23019.120 5
23024.373
23024.880 10
23025.343 10
23026.307
23026.146
23025.972
23025.770
23027.104
23027.003
23026.889
23026.773
23026.643
23027.330
23027.428
81Br
2
17
28
4
23013.413
23012.824
23012.182
23011.550
1
18
5
6
23021.977 7
23021.586 13
23021.164 14
23020.753 38
23020.283 14
23019.804 6
23019.373 32
23018.870 10
23018.376
8
23017.852 11
23017.362 14
23016.810 11
23016.292 10
23015.733
1
23015.161 9
23014.590 6
23023.867
23023.532
23023.177
23022.777
(0, 0) Pee
oc
23027.003
5
23026.773
3
23026.529 4
23026.307 24
23026.045 23
23025.770 21
23025.471
7
23025.146 22
23024.880 19
23024.532 10
79Br
oc
14
17
23022.114 15
23021.743 21
23021.326 23
23020.879
6
23020.440
8
23019.977 2
23019.543 29
23019.051 12
23018.556
5
23018.047 6
23017.569 25
23017.028
6
23016.493
4
23015.946
2
23015.381 8
23014.827
5
23014.219 24
23013.648 5
23013.068 16
23012.433 5
23011.806 9
23023.295
23022.926
23024.000
23024.661
23027.104 17
23026.889 26
23026.643 16
23026.403 23
23026.146 25
23025.875 23
23025.585 14
23025.266 12
81Br
Hirao and Bernath

309
2001 NRC Canada
J"
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
8
31
11
14
20
12
24
23013.413
23012.824
23012.182
23011.550
23010.909
23010.242
23009.584
23008.160 24
23007.492 13
6
35
15
27
7
3
20
22
30
9
7
18
5
24
16
4
5
22
5
18
5
1
8
3
23024.880
23024.532
23024.251
23023.867
23023.532
23023.177
23022.777
23022.429
23021.977
23021.586
23021.164
23020.753
23020.283
23019.804
23019.373
23018.870
23018.376
23017.852
23017.362
23016.810
23016.292
23015.733
23015.161
23014.590
79Br
oc
23026.045 1
23025.770 3
23025.471 18 c
(0, 0) Ree
Table A1. (continued).
23021.743
23021.326
23020.879
23020.440
23019.977
23019.543
23019.051
23018.556
23018.047
23017.569
23017.028
23016.493
23015.946
23015.381
23014.827
23014.219
23013.648
23013.068
23012.433
23011.806
23011.166
23010.511
23009.836
23009.182
23008.515
2
1
15
12
21
11
4
10
19
14
3
2
3
10
6
20
2
26
7
8
8
3
9
11
30
23025.012 13
23024.661 23
23024.373 17
23024.000 18
23023.689 21
23023.295 11
23022.926 7
23022.574 25
81Br
oc
23026.146
1
23025.875 2
23025.585 11
79Br
23018.499
23018.047
23017.569
23017.095
23016.597
23016.104
23015.589
23015.064
23014.530
23013.989
23013.413
23012.824
23012.265
23011.670
23011.068
23010.445
23009.836
23009.182
23008.515
23007.841
23007.183
23006.497
23005.798
23005.081
23004.361
23003.628
23002.891
23002.133
23001.373
23000.590
22999.790
22998.996
22998.191
22997.362
22996.512
22995.677
22994.814
22993.942
22993.059
(0, 0) Qfe
oc
5
1
10
3
9
0
0
1
4
12
3
20 c
4
3
7
3
c
22
9
6
c
16
1
2
0
7
6
7
0
1
5
1
10
2
7
2
12
1
3
4
5
81Br
23018.674
23018.229
23017.772
23017.299
23016.810
23016.292
23015.800
23015.278
23014.746
23014.219
23013.648
23013.068
23012.514
23011.920
23011.309
23010.709
23010.085
23009.451
23008.808
23008.160
23007.492
23006.805
23006.108
23005.414
23004.696
23003.970
23003.236
23002.489
23001.727
23000.966
23000.176
22999.387
22998.591
22997.769
22996.935
22996.104
22995.254
22994.387
22993.514
oc
10
3
4
5
3
18 c
0
2
2
14
3
18 c
5
0
12
1
3
3
1
8
7
0
7
1
4
5
4
3
6
3
5
1
7
0
7
1
1
5
5
(0, 0) Pee
oc
4
17 c
8
2
24 c
34 c
8
18 c
12
11
3
7
8
13
13
3
7
c
25
3
10
7
3
4
0
22991.084
1
22990.149 10
22989.180 5
22988.222
5
22987.242
2
22986.249
0
22985.253
6
22984.234
0
22983.181 28
22982.167 6
22981.134
9
22980.095 29
22978.981 13
22977.911
0
79Br
23010.909
23010.242
23009.584
23008.917
23008.250
23007.492
23006.805
23006.108
23005.367
23004.619
23003.851
23003.085
23002.289
23001.517
23000.713
22999.886
22999.063
22998.191
22997.362
22996.512
22995.635
22994.745
22993.848
22992.936
22991.570
22990.650
22989.690
22988.735
22987.767
22986.790
22985.796
22984.795
22983.783
22982.762
22981.715
22980.667
22979.610
22978.541
23009.182
23008.515
23007.841
23007.107
23006.416
23005.682
23004.942
23004.185
23003.423
23002.660
23001.892
23001.083
23000.268
22999.458
22998.591
22997.769
22996.935
22996.062
22995.195
22994.302
22993.401
2
16
0
2
2
4
0
1
3
7
4
4
1
0
21
6
13
17
8
1
0
7
8
2
19
5
2
7
30
10
9
0
9
4
1
81Br
oc
23011.166 12
23010.511 21 c
310
2001 NRC Canada
J"
1
2
3
4
5
6
7
8
9
10
11
J"
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
7
4
38
10
15
13
13
11
c
22716.025
79Br
oc
c
22714.887
9
22715.046 3
c
22715.188 21
22715.348 10
22715.487 9
22715.625
1
(0, 1) Ree
22989.924 10
22988.981 14
22998.099
22997.229
22996.324
22995.469
22994.599
22993.665
22992.746
22991.819
(0, 0) Ree
oc
23006.033
0
23005.296
4
23004.534 5
23003.766 8
23003.010 12
23002.218
8
23001.373 37
23000.590 8
22999.790 15
79Br
oc
7
2
10
7
30
26
23
38
7
0
4
22717.496 23
22717.617 7
22717.705 13
22717.800 3
22717.862 14
22717.132 8
22717.257 20
81Br
22998.500
22997.657
22996.787
22995.917
22995.011
22994.118
22993.213
22992.279
22991.379
22990.443
22989.492
81Br
oc
c
23007.107 29
23006.367 10
23005.626
1
23004.872 9
23004.132
7
23003.373 15 c
23002.587
9
23001.763 24 c
23000.966 19 c
23000.176
6
22713.815
22714.073
22714.314
41
30
79Br
oc
22714.486 9
22714.486 12
(0, 1) Qfe
(0, 0) Qfe
oc
22991.252 13
22990.349
1
22989.420
0
22988.483
4
22987.527
0
22986.561 4
22985.587 3
22984.605
1
22983.610
4
22982.598
2
22981.576
1
22980.542 1
22979.496 2
22978.437 5
22977.372 3
22976.294 2
22975.212
7
22974.113 10
22973.000 11
22971.872
9
22970.727
1
22969.560 18
79Br
1
12
9
4
2
3
5
0
2
15
10
1
8
1
3
3
7
5
6
10
5
3
oc
20
17
22715.625
16
22715.799 29
22716.025
22716.209
81Br
oc
22716.296 10
22991.741
22990.845
22989.924
22988.981
22988.041
22987.089
22986.122
22985.152
22984.167
22983.181
22982.167
22981.134
22980.095
22979.060
22978.006
22976.939
22975.865
22974.773
22973.672
22972.563
22971.433
22970.290
81Br
(0, 0) Pee
(0, 1) Pee
oc
22714.073 17
22713.889 23
22713.663 31
22713.409 22
22713.155 25
22712.900 36
22712.639 52
22712.273 26
79Br
79Br
oc
22976.827 11
22975.715
4
22974.591 2
22973.466
2
22972.321 2
22971.172
2
22970.008
2
22968.835
5
22967.643
1
22966.435 9
22965.224 9
22964.004 6
22962.773 3
22961.539
8
22960.276
3
22959.011
7
22957.728
5
22956.439
8
22955.123 4
22953.810 1
22952.487
3
22951.143 2
22949.791 3
22948.417 14
oc
29
15
2
4
1
4
17
0
5
1
0
0
4
1
3
9
6
7
2
5
19
22714.073 41
22713.815 4
22714.655 18
22715.188
81Br
22974.113
22973.000
22971.872
22970.727
22969.560
22968.390
22967.184
22966.004
22964.790
22963.575
22962.342
22961.100
22959.848
22958.580
22957.304
22956.003
22954.705
22953.391
22952.072
22950.744
22949.373
81Br
oc
22977.454 5
22976.366
1
Hirao and Bernath

311
2001 NRC Canada
J"
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
oc
10
35
3
18
28
28
16
6
38
6
5
13
5
5
5
15
28
22
3
35
9
24
30
2
16
9
10
14
2
22
32
10
9
79Br
22716.209
22716.296
22716.296
22716.296
22716.296
22716.296
22716.296
22716.296
22716.296
22716.209
22716.025
22715.625
22715.487
22715.348
22715.188
22715.046
22714.887
22714.655
22714.486
22714.314
22714.073
22713.815
22713.572
22713.353
22713.082
22712.820
22712.539
22712.273
22711.956
22711.625
22711.356
22711.001
22710.656
c
(0, 1) Ree
16
19
2
12
11
0
22
12
31
12
6
6
3
5
10
22713.476
22713.155
22712.820
22712.478
22714.073
11
10
4
3
22715.188 33
22714.887 12
22714.655 21
22715.625
22717.257 4
22717.132
9
22716.940 33
22716.821
7
22716.624 20
22716.469
6
22716.296 25
22718.017
22718.083
22718.083
22718.083
22718.083
22718.083
22718.083
22718.017
22718.017
22717.945
22717.862
22717.800
22717.705
22717.617
22717.496
81Br
oc
22717.945
6
22713.082
22712.900
22712.703
22712.478
22712.273
22712.072
22711.838
22711.625
22711.356
22711.093
22710.801
22710.526
22710.254
22709.927
22709.613
22709.284
22708.951
22708.586
22708.245
22707.874
22707.501
22707.107
22706.706
22706.297
22705.875
22705.448
22705.024
22704.542
22704.069
22703.604
22703.130
22702.625
22702.129
22701.613
22701.083
22713.572
22713.409
79Br
7
3
3
29
23
4
6
23
7
7
12
3
21
1
0
3
1
17
1
3
4
1
2
0
1
4
22
7
16
8
2
7
2
2
1
23
8
(0, 1) Qfe
oc
81Br
22715.487
22715.348
22715.188
22715.046
22714.887
22714.655
22714.486
22714.314
22714.073
22713.889
22713.663
22713.409
22713.155
22712.900
22712.639
22712.356
22712.072
22711.766
22711.462
22711.093
22710.801
22710.456
22710.098
22709.733
22709.368
22708.951
22708.586
22708.163
22707.750
22707.327
22706.890
22706.436
22705.992
22705.506
22705.024
22704.542
22704.069
22703.539
22703.007
oc
3
1
c
16
1
7
49 c
30 c
4
37 c
2
1
14
c
17
13
2
4
3
0
8
c
38
3
3
2
2
8
c
23
7
9
5
1
0
6
9
8
11
3
25 c
5
5
(0, 1) Pee
22701.613
22701.083
22700.522
22699.894
22699.300
22698.706
22698.091
22697.479
22696.831
22696.165
22695.494
22694.805
22694.158
22693.467
22692.754
22692.044
22691.319
22703.292
22702.738
25
10
25
16
13
0
4
20
11
3
14
31
4
6
4
1
1
23
2
4
5
8
2
22706.706
22706.248
22705.782
22705.297
22704.305
6
5
31
5
0
22708.019
22707.591
22710.378
22709.990
22709.613
79Br
oc
c
22711.356 15
c
22711.001 40
2
9
40
5
6
22699.436
3
22698.801
2
22698.154 2
22697.479 23
22696.831 7
22696.165
3
22695.494 17
22694.805 24
22694.075
1
22693.358
0
22701.262
22700.660
22703.539 28
22703.007
0
22702.470 32
22706.706
7
22706.175 28
22705.692 5
22705.181
1
22704.643 10
22709.021
22708.586
22708.163
22711.838 12
22711.462
6
22711.093 17
22710.656 30
22710.254 31
81Br
oc
c
22713.155 41
c
22712.900 30
22712.539
8
312
2001 NRC Canada
J"
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
30
11
5
17
5
12
27
32
30
26
22694.602 20
22693.937
6
22693.257 27
22692.543 25
22691.771 24
22691.060
0
22690.342 27
22689.562
3
22688.813 21
22701.530
22700.940
22700.343
22699.738
22699.156
22698.549
22697.939
22697.244
22696.599
22695.945
22703.130 19
22702.625 15
(0, 1) Ree
oc
22709.927
0
22709.549 1
22709.183 20
22708.784 18
22708.361
5
22707.931 6
22707.501 6
22707.042 24
22706.578 36
22706.175 24
22705.692 14
22705.181 13
79Br
21
0
19
6
8
22693.093 5
22692.350 10
22691.608 4
22696.599 22
22695.945
7
22695.259 15
22702.290
5
22701.705
6
22701.083 19
22700.522 28
22699.894 19
22699.248
2
22698.606
1
22697.939 16
22707.107 28
22706.578 12
22706.089
1
22705.585
8
22705.024 32
22704.542 19
22709.815
22709.368
22708.951
22708.478
22708.019
81Br
oc
22712.138 14
22711.766
4
c
22711.356 34
22711.001 6
c
22710.656 43
79Br
22700.522
22699.995
22699.436
22698.870
22698.299
22697.700
22697.099
22696.491
22695.865
22695.259
22694.602
22693.937
22693.257
22692.607
22691.906
22691.214
22690.511
22689.794
22689.071
22688.313
22687.557
22686.822
22686.053
22685.251
22684.473
22683.672
22682.855
22682.033
22681.165
22680.351
22679.521
22678.634
22677.771
22676.882
22675.966
22675.062
22674.122
22673.234
22672.277
(0, 1) Qfe
oc
c
25
4
5
2
7
2
2
1
3
23 c
10
1
18 c
7
8
4
0
1
5
c
14
c
22
3
4
c
17
3
1
6
5
c
38
8
18 c
3
11
10
8
3
c
24
19 c
3
81Br
22702.470
22701.910
22701.377
22700.819
22700.249
22699.676
22699.067
22698.448
22697.852
22697.244
22696.599
22695.945
22695.259
22694.602
22693.937
22693.257
22692.543
22691.840
22691.128
22690.385
22689.640
22688.895
22688.130
22687.360
22686.574
22685.785
22684.998
22684.168
22683.331
22682.520
22681.659
22680.800
22679.924
22679.066
22678.160
22677.264
22676.356
22675.434
22674.525
oc
10
c
29
9
3
0
11
4
17 c
2
20 c
11
4
25 c
14
0
9
6
1
9
3
7
0
2
0
2
3
c
21
5
7
c
19
4
2
7
14
3
0
2
1
21 c
22654.708
22673.638
22672.676
22671.668
22670.696
22669.706
22668.708
22667.711
22666.676
22665.649
22664.615
22663.558
22662.498
22661.435
22660.320
22659.206
22658.106
22656.976
79Br
22690.596
22689.846
22689.071
22688.313
22687.557
22686.748
22685.946
22685.131
22684.282
22683.471
22682.649
22681.786
22680.903
22680.038
22679.164
22678.277
22677.344
22676.456
22675.552
(0, 1) Pee
10
7
29
20
18
13
3
8
0
12
11
18
33
7
9
1
7
oc
14
10
8
2
c
23
4
1
3
31 c
11
10
1
20 c
10
1
10
c
17
12
c
36
81Br
22692.607
22691.840
22691.128
22690.385
22689.640
22688.813
22688.037
22687.242
22686.419
22685.611
22684.772
22683.947
22683.065
22682.220
22681.341
22680.441
22679.521
22678.634
22677.700
22676.780
22675.885
22674.896
22673.950
22672.962
22672.009
22670.975
22669.991
22668.979
22667.969
22666.936
22665.895
22664.859
22663.746
22662.677
22661.600
22660.521
22659.376
22658.271
22657.144
oc
c
23
c
51
c
15
3
c
27
19 c
4
3
9
7
1
20 c
7
13
9
5
c
28
8
c
24
c
15
c
29
10
4
13
15
c
26
8
7
7
8
12
32 c
15 c
8
3
22 c
c
14
0
2
Hirao and Bernath

313
2001 NRC Canada
J"
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
J"
90
91
92
93
94
95
96
97
98
99
100
101
79Br
23309.960
23310.144
23310.276
23310.390
23310.500
23310.599
23310.694
23310.790
23310.882
23310.882
23310.882
23310.946
23310.946
23310.946
23310.946
23310.882
23310.882
23310.790
23310.790
23310.694
23310.599
23310.500
23310.390
22680.548
oc
14 c
45 c
37 c
23 c
18 c
14 c
19 c
c
37
c
64
c
12
c
28
c
8
c
6
c
8
c
2
c
38
c
2
c
45
c
16
c
6
c
15
c
15
c
14
(1, 0) Ree
30
22682.220 41
79Br
oc
c
22688.037 23
c
22687.242 17
22686.419 6
22685.611 3
c
22684.772 20
22683.947 12
(0, 1) Ree
81Br
23308.448
23308.601
23308.832
23308.923
23309.057
23309.149
23309.233
23309.287
23309.373
23309.373
23309.468
23309.468
23309.468
23309.468
23309.468
23309.468
23309.468
23309.373
23309.287
23309.233
23309.149
23309.057
23308.923
oc
36 c
34 c
58 c
23 c
42 c
32 c
27 c
c
4
c
26
c
26
c
30
c
3
c
12
c
14
c
4
c
19
c
54
c
7
c
19
c
0
c
1
c
7
c
17
oc
c
21
c
14
5
5
c
53
22 c
10
22682.649 23
81Br
22690.064
22689.290
22688.518
22687.716
22686.952
22686.053
22685.251
(0, 1) Qfe
23306.812
23306.554
23306.287
23305.986
23305.692
10
13
20
3
8
(1, 0) Qfe
oc
23308.601 10
23308.448
6
23308.283
2
23308.092 15
23307.919 2
23307.719 2
23307.514
4
23307.290
4
79Br
79Br
oc
22671.314 9
22670.365
4
22669.389
1
22668.402 3
22667.416
6
22666.401 4
22665.381 8
22664.371
8
22663.352 26 c
22662.276 1
22661.249 30 c
22
0
1
23307.290 11
23307.147
2
23307.029 32
23306.812 25
23306.655 11
23306.477 4
23306.287
3
23306.076
0
23305.873 18
23305.637 15
23305.381
5
23305.133 15
23304.835 13
23304.556 9
23304.273
3
23307.719
23307.611
23307.514
23307.813 19
81Br
oc
23307.919
1
81Br
oc
22673.549 13
22672.600 10
c
22671.668 21
c
22670.696 22
22669.706 16
22668.708 12
22667.711 20 c
22666.676
0
22665.649
0
22664.615
3
22663.558 7
(0, 1) Pee
19
1
5
23307.147
23306.812
23306.477
4
23302.019 13
23301.575 23
23301.063
4
23302.958
23305.802 15
23305.381 38
23305.047
7
23304.636 11
23304.273 30
23303.814 12
37
15
20
4
oc
(1, 0) Pee
5
7
10
oc
c
28
c
15
9
c
21
8
16 c
2
23308.559
23308.283
23308.023
23307.719
79Br
22642.701
22641.442
22640.173
79Br
22653.529
22652.378
22651.210
22650.013
22648.845
22647.647
22646.415
23306.812
23306.554
23306.287
23305.986
23305.692
23305.381
23305.047
23304.733
23304.359
23304.005
23303.639
23303.247
23302.847
23302.449
23302.019
23301.575
23301.137
23300.663
23300.200
23299.715
81Br
81Br
22655.968
22654.831
22653.683
22652.515
22651.335
22650.143
22648.926
22647.711
22646.491
22645.242
22644.049
22642.701
13
7
2
12
5
2
12
12
11
3
6
2
2
16
11
5
16
5
16
18
oc
oc
c
33
c
19
5
1
2
4
9
9
4
16 c
38 c
53 c
314
2001 NRC Canada
J"
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
15
21
14
11
23
10
20
9
18
6
0
36
7
29
23297.379
23296.798
3
10
23299.631
4
23299.075 10
23298.529
0
23300.663 10
23306.886
23306.554
23306.250
23305.873
23305.497
23305.133
23304.733
23304.359
23303.952
23303.501
23303.066
23302.577
23302.140
23301.697
c
79Br
oc
c
23310.276 4
c
23310.144
1
c
23309.960 34
23309.831 1
23309.654 2
23309.468 2
23309.287 17 c
23309.057
0
23308.832
0
23308.601
7
23308.360 16 c
23308.092 11
23307.813
8
23307.514 2
(1, 0) Ree
7
20
9
12
13
10
15
26
10
12
13
0
25
3
21
11
3
12
18
3
20
12
32
23297.758 3
23297.193 20
23296.669 17
23296.070 9
23307.147
23306.886
23306.655
23306.386
23306.076
23305.802
23305.497
23305.133
23304.835
23304.489
23304.104
23303.745
23303.334
23302.958
23302.573
23302.140
23301.697
23301.235
23300.768
23300.316
23299.808
23299.318
23298.851
23308.559 24
23308.360 15
23308.196 7
23308.023
5
23307.813 8
23307.611
1
81Br
oc
c
23308.832 15
(1, 0) Qfe
23292.913 13
23292.275 3
23291.620
1
23290.952
5
23290.265
2
23289.564 1
23288.855 1
23288.126 8
23287.400
1
23286.640 12
23285.908 15
23285.128
8
79Br
oc
23305.381
8
23305.047 3
c
23304.733 18
23304.359 7
23304.005 1
23303.639
6
23303.247 1
23302.847 3
23302.449
9
23302.019
2
23301.575 7
23301.137
3
23300.663 11
23300.200 2
23299.715 2
23299.223
3
23298.707 2
23298.180 7
23297.646 6
23297.098 8
23296.545 1
23295.964 9
23295.382 7
c
23294.777 15
23294.175 7
81Br
23303.952
23303.639
23303.334
23302.958
23302.577
23302.242
23301.865
23301.457
23301.063
23300.663
23300.200
23299.808
23299.318
23298.851
23298.378
23297.884
23297.379
23296.861
23296.328
23295.778
23295.246
23294.676
23294.095
23293.521
23292.913
23292.275
23291.685
23291.026
23290.361
23289.707
23289.022
23288.341
23287.635
23286.924
23286.203
23285.468
23284.711
23283.935
oc
11
5
c
22
10
c
35
2
2
12
1
17 c
16 c
34 c
1
1
5
3
2
0
4
13
8
3
1
c
16
11
12
c
25
6
8
3
5
3
2
0
5
9
3
10
9
5
3
38
44
3
10
9
35
7
9
4
9
9
4
17
2
2
4
3
4
2
8
2
3
3
1
3
2
2
26
27
0
32
37
10
23300.028
23299.511
23298.967
23298.446
23297.884
23296.669
23296.070
23295.451
23294.777
23294.175
23293.521
23292.839
23292.153
23291.460
23290.759
23290.026
23289.314
23288.566
23287.815
23287.045
23286.256
23285.468
23284.667
23283.841
23283.004
23282.160
23281.305
23280.433
23279.551
23278.657
23277.777
23276.857
23275.898
23274.984
23273.957
23273.014
(1, 0) Pee
oc
79Br
23272.038
23276.649
23275.788
23274.882
23273.897
53
9
40
55
6
oc
c
25
c
21
c
19
c
21
c
22
30 c
24 c
27 c
21 c
30 c
0
28 c
39 c
21 c
29 c
c
48
c
45
10
6
5
c
38
c
28
7
9
c
22
c
20
12
1
23279.294 18
23278.448
9
81Br
23299.223
23298.707
23298.180
23297.646
23297.098
23296.545
23295.964
23295.382
23294.777
23294.175
23293.521
23292.913
23292.275
23291.555
23290.873
23290.265
23289.564
23288.798
23288.079
23287.354
23286.640
23285.869
23285.076
23284.275
23283.508
23282.656
23281.866
23281.019
Hirao and Bernath

315
2001 NRC Canada
J"
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
99
100
101
(1, 0) Ree
23274.984
23274.009
23273.014
23272.038
23271.036
23270.045
23269.019
23267.975
23265.847
5
15
33
18
16
9
12
11
5
c
oc
12
3
c
16
10
11
39 c
5
35 c
3
11
1
7
5
0
2
14
4
7
13
23281.375 7
23280.511
4
23279.610 9
23278.726
7
23277.777 29
23276.857 23
79Br
23296.195
23295.561
23294.916
23294.278
23293.643
23293.001
23292.275
23291.620
23290.873
23290.167
23289.421
23288.669
23287.911
23287.144
23286.361
23285.548
23284.756
23283.935
23283.079
31
23281.156
23274.882
23273.957
23273.014
23272.038
23271.036
23270.045
23269.077
23268.032
23266.983
23264.891
18
2
7
3
27
27
9
19
39
34
23276.726 16
23279.374 36
23278.501 32
23269.077 2
23268.089 19
23267.069 23
23266.019
8
23264.980 18
23263.892 9
23262.819 8
23261.734 7
23260.645
2
23259.530 1
23258.401 6
23257.261 9
23256.128
7
23254.951 8
23253.789
4
23252.585 12
23251.396 1
23250.174 11
23247.731
9
23246.473
2
23285.176 15
23291.685 28
23291.026 13
23290.361
9
23289.642 11
23288.941
1
23288.208 8
23287.484
6
23286.741 12
23282.796
(1, 0) Qfe
79Br
oc
23284.345
9
c
23283.558 19
23282.727 3
c
23281.924 17
23281.084 11
23280.234
9
23279.374
8
23278.501
8
23277.606 2
23276.726 15
23275.788 13
23274.882
3
23273.957 14
23273.014 18 c
23272.038
2
81Br
oc
c
23294.916 22
23294.278 5
c
23293.699 39
c
23293.001 22
81Br
23283.170
23282.381
23281.587
23280.773
23279.947
23279.110
23278.253
23277.396
23276.495
23275.625
23274.734
23273.827
23272.890
23271.962
23271.036
23270.045
23269.077
23268.089
23267.069
23266.083
23265.061
23264.024
23262.976
23261.912
23260.842
23259.775
23258.652
23257.555
23256.427
23255.285
23254.136
23252.981
23251.804
23250.627
23249.417
23246.976
23245.727
oc
0
1
5
3
3
3
4
1
26 c
8
0
4
9
1
23 c
7
1
3
c
24
1
3
1
2
1
2
c
21
4
10
5
1
2
4
0
9
3
10
23 c
(1, 0) Pee
20
3
19
19
8
1
3
16
5
26
2
26
1
1
2
12
3
23226.757 13
23225.294 12
23252.162
23250.963
23249.704
23248.456
23247.205
23245.940
23244.656
23243.338
23242.036
23240.743
23239.377
23238.055
23236.667
23235.290
23233.901
23232.489
23231.091
oc
2
8
9
4
6
23 c
29 c
25 c
7
23261.485 29
23260.419 27
23259.251 6
23258.109 1
23256.937 13
23255.772 4
23254.609 18
79Br
23272.038
23271.036
23270.045
23269.019
23267.975
23266.911
23265.847
23264.779
23263.713
23263.892
23262.819
23261.734
23260.645
23259.530
23258.401
23257.261
23256.128
23254.951
23253.789
23252.585
23251.396
23250.174
23248.960
23247.731
23246.473
23245.222
23243.945
23242.657
23241.364
23240.060
23238.716
23237.386
23236.029
23234.671
23233.291
23231.904
23230.495
23227.656
23226.254
23224.766
30
29
28
35
30
22
16
30
11
21
1
8
5
2
7
4
4
2
6
2
3
19
16
26
25
33
35
47
54
22
62
81Br
oc
c
23271.036 23
c
23270.045 16
c
23269.077 45
23268.032
9
c
23266.983 18
23265.966 1
316
2001 NRC Canada
J"
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
21
8
26
34
30
16
9
0
6
7
6
31
22687.242
22687.242
22687.242
22687.242
22687.242
22687.242
22687.242
22687.093
22686.952
22686.748
22686.649
22686.419
22684.696
22685.346 14
22685.131 20
22686.053 36
22685.946 23
22685.785 39
23
22687.093
22686.574 27
22686.748 31
22686.822
1
79Br
oc
c
22686.053 21
c
22686.156 35
(1, 2) Ree
9
17
9
42
22688.130
22688.420
22688.518
22688.683
22688.037 16
22687.843 13
22687.716 34
22687.501
4
22687.360 59
22687.093
0
22686.875 1
22686.649
1
22688.420 29
22688.313 4
22688.895 52
22688.895 26
22688.813 33
22688.683
3
22689.071 19
22689.071 31
22689.185 44
22689.185 15
22689.185 3
22689.185 10
22689.185 7
22689.185
7
22689.185 32
22689.071 47
22689.071 1
22688.813 25
22688.895 25
oc
81Br
21
39
22683.065
22682.805
22682.520
22682.297
22682.033
22681.786
22681.537
22681.165
22680.903
22680.548
22680.240
22679.924
22679.521
22679.164
22678.800
22678.400
22678.013
22677.601
22677.207
27
1
39
7
6
23
61
13
33
3
18
42
10
5
3
14
8
16
5
22684.019 28
22683.851 15
22683.672 3
22683.471 3
22684.772 19
22684.696 33
22684.531
5
22685.131
22685.053
(1, 2) Qfe
oc
22685.346 13
22685.251 18
79Br
7
oc
22685.251 28
22684.998 4
22684.772
1
22684.531
2
22684.282
6
22684.019
5
22683.732 9
22683.471 14
22683.172 10
22682.855 2
22682.520 22
22682.220
4
22681.907 28
22681.537
4
22681.165 10
22680.800 7
22680.441 13
22680.038 1
22679.637 3
22679.241 12
22685.837 15
22685.611 22
22686.156 13
22686.952 5
22686.822 30
22686.748 12
22686.574 36
22687.242 30
22687.360
81Br
41
47
3
36
9
22670.851 7
22670.270 12
22669.618 29
22672.600
6
22672.009 18
22674.794
22674.223
22678.579 11
22678.160 31
22677.700 20
22677.207 13
22676.780 31
22676.299 31
22675.752 23
22680.240 25
22679.758 61
22679.371 42
22682.033
2
22681.659 30
22681.341
5
(1, 2) Pee
oc
22682.649 32
22683.331
22684.168
22683.851
79Br
22
5
oc
1
42
22679.241
22678.800
22678.277
22677.771
22677.344
22676.780
22676.299
22675.752
22675.183
22674.658
22674.122
22673.549
22672.962
22672.384
22671.802
8
17
29
49
21
33
5
13
41
16
11
9
6
21
43
22680.548 34
22682.220 10
22681.786 34
22684.282 52
22684.019 12
22683.672
3
22683.331 10
22682.980 19
22685.251
22684.998
22686.053 21
22685.837 26
22686.822
22686.574
81Br
Hirao and Bernath

317
2001 NRC Canada
J"
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
7
22678.277
22677.771
22677.344
22676.882
22676.356
22675.885
22675.434
22674.896
22674.348
22673.837
22673.234
22672.676
22672.137
22671.547
22670.975
22670.365
22669.706
22669.119
22668.512
32
26
6
16
29
8
44
21
2
24
32
32
2
11
8
0
46
8
20
22680.695 14
22680.351 25
22679.924 8
22679.521 6
22679.164 54
22681.786
79Br
oc
c
22684.473 15
c
22684.168 37
22683.947
5
22683.672
5
c
22683.415 33
22683.065 21 c
22682.805 26 c
(1, 2) Ree
23
39
22671.231 19
22670.635 13
22669.991
8
22672.467
22676.456 43
22675.885
2
22675.343
1
22674.794
4
22674.223 4
22673.638 15
22682.297 25
22681.907 25
22681.537
5
0.000
22680.695 3
22680.240 26
22679.828
6
22679.371
3
22678.911
9
22678.451 25
22677.939
0
22677.466 25
22683.732 42
22683.415 11
22683.065 4
22684.772
22684.473
22685.611 16
22685.346
1
81Br
oc
22686.419 10
22686.156 3
79Br
22676.780
22676.356
22675.885
22675.434
22674.965
22674.525
22674.009
22673.490
22672.962
22672.467
22671.938
22671.400
22670.851
22670.270
22669.706
22669.119
22668.512
22667.916
22667.299
22666.676
22666.034
22665.381
22664.719
22664.052
22663.352
22662.677
22661.980
22661.249
22660.521
22659.777
22658.995
22658.271
22657.522
22656.748
22655.968
22655.157
22654.337
22653.529
(1, 2) Qfe
oc
4
c
16
9
3
3
35 c
9
10
27 c
1
2
6
12
5
5
4
7
4
4
9
7
4
2
6
12
5
12
5
8
c
17
53 c
19 c
1
4
13
3
6
7
22668.810
22668.182
22667.540
22666.885
22666.204
22665.538
22664.859
22664.157
22663.450
22662.743
22661.980
22661.249
22660.521
22659.777
22658.995
22658.199
22657.418
22656.611
22655.819
81Br
22678.800
22678.400
22677.939
22677.466
22677.025
22676.548
22676.067
22675.552
22675.062
22674.525
22674.009
22673.490
22672.962
22672.384
22671.802
22671.231
22670.635
3
7
8
6
11
3
4
3
3
7
29
22
1
15
3
13
2
7
14
oc
9
c
23
4
c
16
6
2
5
15 c
0
22 c
11
7
27 c
7
7
2
5
16
6
14
1
22648.142
22647.244
22646.287
22645.360
22644.388
22643.439
22642.474
22641.442
22640.463
22639.472
22638.443
20
5
17
2
14
5
17
25
5
15
7
22654.337 10
22653.470 9
22652.612 8
22651.731 20
22650.874
4
22650.013 35
22659.206
22658.413
22657.626
22656.806
22661.435 41
22667.095
0
22666.401 30
22665.753 2
22665.069
0
22664.352 20
22663.676 12
22668.402
(1, 2) Pee
oc
79Br
22647.711
22646.776
22645.799
22644.863
22643.904
22642.900
22641.877
22640.880
81Br
22671.142
22670.522
22669.884
22669.259
22668.579
22667.916
22667.217
22666.527
22665.840
22665.153
22664.436
22663.676
22662.933
22662.207
22661.435
22660.640
22659.863
22659.064
22658.271
22657.418
22656.611
22655.767
22654.890
22654.044
22653.178
22652.288
22651.428
22650.506
22649.589
26
15
36
4
15
0
24
10
oc
2
4
2
c
24
1
7
14
14
1
22 c
27 c
1
1
27 c
19 c
2
7
4
c
18
c
17
4
1
c
29
14
9
c
18
14
5
8
318
2001 NRC Canada
J"
0
1
2
3
4
5
6
7
8
9
10
J"
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
c
oc
(2, 1) Ree
37
13
2
12
9
43
23276.495
9
23276.649 23
23276.726 26
23276.857 8
23276.946 20
79Br
22655.207
22654.337
22653.470
22652.612
22651.731
22650.874
22659.272 41
22658.462 22
22657.626 13
22656.877 49
79Br
oc
c
22667.217 28
22666.527
7
c
22665.885 44
22665.153
2
22664.436 13
22663.746
9
22663.005 9
22662.276 3
22661.560 27 c
(1, 2) Ree
23275.788
23275.898
23275.625
4
30
20
23275.104 24
23275.222 8
23275.345 23
oc
c
56
c
36
c
32
c
20
c
50
26 c
53 c
43 c
4
10
28 c
31 c
39 c
30 c
26 c
5
c
33
5
2
c
22
1
15
81Br
oc
23274.734 8
81Br
22669.389
22668.708
22667.969
22667.299
22666.676
22665.895
22665.153
22664.436
22663.746
22663.005
22662.207
22661.435
22660.723
22659.863
22659.064
22658.271
22657.418
22656.611
22655.767
22654.890
22654.044
22653.178
(1, 2) Qfe
23275.345 7
23275.222 17
23275.104 9
10
23275.788
23275.625
oc
79Br
(2, 1) Qfe
79Br
oc
22652.701 11
22651.850
4
22650.998
6
c
22650.143 15
22649.264 12
22648.375
9
22647.475
6
22646.572 11
22645.653 11
22644.723 11
22643.772
0
22642.832 11
22641.877 19 c
22640.880 6
22639.890 12
22638.918 10
c
22637.877 25
22636.895
9
22635.861
3
22634.826
5
c
22633.794 22
22632.725 13
22631.637 4
oc
oc
10
1
2
7
2
12
1
6
2
1
9
21 c
1
5
6
3
c
19
3
c
16
c
22
c
20
4
0
23274.321 26
23274.181 27
23274.100 9
23274.009 12
23273.897 24
23274.489
81Br
81Br
22654.992
22654.149
22653.302
22652.455
22651.580
22650.693
22649.819
22648.926
22648.010
22647.091
22646.171
22645.242
22644.269
22643.302
22642.329
22641.355
22640.376
22639.349
22638.320
22637.288
22636.292
22635.228
22634.165
23273.171 36
23274.100 19
23273.827 1
23274.882 36
23274.632 32
(2, 1) Pee
oc
23275.345 41
79Br
22610.628 29
4
3
36
48
22616.966
22615.727
22614.509
22613.260
(1, 2) Pee
oc
7
6
6
0
4
13
37 c
26 c
10
14
22 c
17 c
15
1
5
1
5
79Br
22637.396
22636.366
22635.313
22634.241
22633.170
22632.066
22630.945
22629.847
22628.744
22627.610
22626.461
22625.314
22624.153
22622.993
22621.805
22620.613
22619.413
8
11
33
6
17
10
48
27
47
12
23274.181
23273.897
23273.647
23273.417
23273.171
23272.890
23272.645
23272.337
23271.962
81Br
39
19
32
11
6
0
43
36
26
oc
oc
c
20
12
2
12
c
22
3
4
13
40 c
8
22614.661 30
22613.415 7
22627.924
22626.771
22625.589
22624.444
22623.251
22622.065
22620.920
22619.630
22618.384
22617.183
81Br
22639.890
22638.851
22637.794
22636.731
22635.658
22634.608
22633.515
22632.410
22631.277
22630.192
Hirao and Bernath

319
2001 NRC Canada
J"
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
15
23275.788
23270.551
23273.171 20
23272.890 70
23272.448 26
23272.128 12
23271.717 28
23271.358 3
23275.345 7
23275.104 17
23274.882
3
23274.632 10
23274.321 33
23274.100 27
23273.827 48
7
7
9
42
30
23276.946
23276.857
23276.726
23276.649
23276.495
(2, 1) Ree
oc
23277.304 25
23277.304
0
23277.304 12
23277.304 11
23277.304
3
23277.304 29
79Br
43
8
9
32
38
5
23273.171 43
23272.890 39
23272.275 18
23271.962 20
23270.551 1
23270.206 33
23269.790
9
23269.360 16
23269.019 59
c
oc
c
25
c
12
c
36
c
48
c
48
34 c
8 c
30 c
23274.882 16
23274.734 14
23274.321 8
23274.100 14
23273.897 11
23273.647
0
23273.417 24
23275.104
23275.345
23275.222
23275.625
23275.898
23275.788
81Br
23276.004
23276.004
23276.004
23276.004
23276.004
23276.004
23276.004
23276.004
3
22
2
13
12
3
2
17
14
5
3
10
13
26
6
23261.640
23261.041
8
4
23263.368 13
23262.819
4
23269.576 5
23269.169 11
23268.781 15
23268.331 9
23267.900
0
23267.464 15
23266.983 1
23266.500 7
23266.019
1
23265.512 3
23264.980 20
23264.477
4
23274.489
23274.321
23274.100
23273.897
23273.647
23273.417
23273.171
23272.890
23272.645
23272.337
23272.038
23271.717
23271.414
23271.036
23270.705
(2, 1) Qfe
79Br
oc
23274.984
8
oc
10
26
4
23260.550 12
23259.947 19
23269.169
8
23268.781 9
23268.412
7
23268.032 24
23267.609 10
23267.168 9
23266.739 4
23266.291 6
23265.847
9
23265.362 3
23264.891
9
23264.386
0
23263.892 16
23263.368 13
23262.819 2
23262.260 16
23261.150
5
23270.551 25
23270.206
2
23269.853 16
23271.962
23271.717
23271.414
23272.890 20
23272.645 14
23272.448 13
23273.596
8
23273.417 10
23273.245 8
81Br
(2, 1) Pee
23254.136 12
23253.338 12
23252.585 22
23251.804 40
23256.427 58
23255.619 14
23259.158 27
23258.508
9
23257.834 31
23261.150 13
23260.550 34
23262.396 23
23268.412 3
23267.900 34
23267.464 24
23266.911 21
23266.422 10
23265.847 33
23265.362 28
23264.779
2
23264.205 1
23263.660 37
23270.206 10
23269.790
5
23269.360 19
23271.414 19
23271.036 4
79Br
oc
c
23272.890 12
23272.525 10
35
oc
73
5
23253.881
7
23253.105 17
23252.316 40
23250.766 23
23256.128
23254.609
23260.056 24
23259.441
0
23258.797
8
23258.109 16
23257.456
9
23256.723 35
23262.504 8
23261.912 11
23261.296 25
23266.291
5
23265.766 18
23265.262 8
23264.779 36
23264.205
1
23263.660
7
23267.259
23270.206 27
23269.853
8
23269.463 19
23269.019 12
23271.358
81Br
320
2001 NRC Canada
J"
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
4
10
56
7
17
45
1
7
49
23266.291
23265.766
23265.262
23264.650
23264.083
23263.522
23262.260
23261.640
23261.041
6
13
20
23248.960 23
23248.159 37
23247.205 43
23246.347 15
23245.457 5
23244.572 23
23253.881
23253.105
23252.316
23258.306
6
23257.605 10
23256.937 60
23256.128 17
23255.442 40
9
14
3
6
23268.781
23268.331
23267.833
23267.325
79Br
oc
23269.688 10
(2, 1) Ree
23249.704
23248.882
23248.042
23247.205
23246.347
23245.457
23244.572
23243.689
23252.162
21
18
20
7
2
15
12
7
40
23255.851 10
23255.137 2
23254.426 22
23253.648 9
oc
c
53
1
c
23
4
3
7
9
4
15
8
12
10
13
23261.150 30
23260.550 10
23259.947 19
23259.251 31
23258.652 29
23257.998 46
23257.261 7
81Br
23268.477
23268.089
23267.609
23267.168
23266.680
23266.197
23265.694
23265.170
23264.650
23264.083
23263.522
23262.976
23262.396
23255.773
23255.047
23254.325
23253.588
23252.814
23252.062
23251.288
23250.499
23249.704
23248.882
23248.042
23247.205
23246.347
23245.457
23244.572
23243.689
23242.789
23241.866
23240.941
23240.003
23239.043
23238.055
23237.079
23236.088
23235.072
23234.054
23233.029
23231.987
23230.908
23229.852
23228.765
23259.158
23258.508
23257.834
23257.160
5
4
3
8
12
3
8
12
22
18
8
14
11
10
15
3
3
1
5
12
9
9
2
2
6
3
5
10
11
6
3
3
1
8
3
(2, 1) Qfe
79Br
oc
23260.419 11
5
6
3
0
8
7
23239.146 9
23238.209
0
23237.249 1
23236.278
0
23235.290 5
23234.301
3
23233.291
2
23232.265 3
23231.234
1
23230.190
3
23229.109 19
23228.054 1
23244.572
4
23243.689 8
23242.789 25
23241.918
0
23241.013
4
23247.921
23247.099
23246.269
23251.084
23250.306
23249.523
81Br
oc
23259.363
5
23258.731 6
23258.109
5
23257.456 1
23256.809 10
23256.128
0
23255.442 4
23254.757
8
23254.037 5
23253.338 17 c
23252.585 2
23237.249
4
23236.221 9
23235.203
2
23234.163
3
23233.097 9
23232.044
4
23230.968
8
23229.852 16
23228.765
2
23227.656 12
23226.540 26
23225.418 48
23224.214
0
23223.049
3
23221.871
7
23220.660 10
23219.473 11
23218.244
3
23217.005 4
23215.763
1
23214.507
3
23213.232 1
23211.931 17
23248.456 16
23247.583
6
23246.676 25
23245.828 15
23244.901 11
23244.017 19
23243.112 40
23242.111 22
23241.181
0
23240.234 18
23239.242
4
(2, 1) Pee
79Br
oc
23250.963 11
23236.439
23235.417
23234.423
23232.355
23231.316
23230.190
23229.109
23228.054
23226.968
23225.864
23224.710
23223.547
23222.409
23221.235
23220.059
23218.882
23217.661
23216.434
23215.197
23213.959
23212.665
23211.406
2
16
6
9
24
34
36
2
21
34
11
10
8
2
7
23
9
0
6
0
36
27
23248.342 1
23247.508
5
23246.676 26
23245.762 23
23244.901 5
23244.017
1
23243.112 1
23242.212 15
23241.260 9
23240.314 13
23239.377
3
23238.417 10
81Br
oc
23249.989
3
Hirao and Bernath

321
2001 NRC Canada
J"
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
J"
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
c
4
3
4
18
26
5
13
15
11
8
0
15
10
9
2
22402.338
22402.191
22402.028
22401.833
22401.642
22401.471
22401.286
22401.077
22400.830
22400.618
22400.369
22400.104
22399.849
22399.302
22399.019
79Br
oc
22402.850 12
22402.740 6
c
22402.645 24
(0, 2) Qfe
23237.803
9
23236.754 23
23235.714 33
23234.671 33
23233.666 19
23232.584
7
(2, 1) Ree
oc
23242.657 28
23241.736
4
23240.743 25
23239.776 13
79Br
22405.818
22405.677
22405.483
22405.354
22405.160
22404.977
22404.773
22404.588
22404.354
22404.104
22403.891
22403.625
22403.349
22403.114
22402.850
22402.548
14
2
35
8
5
2
1
23
8
12
12
5
24
8
19
4
oc
23230.790
81Br
9
25
3
2
16
23237.017
23236.029
23234.989
23233.957
23232.927
81Br
oc
c
23242.789 22
c
23241.866 27
c
23240.941 42
23239.946
0
23238.983
3
(2, 1) Qfe
oc
7
23584.697 17
23584.347
3
23583.995
1
23583.627 5
23583.233 22
23582.882 17
23582.458 4
23585.319
(2, 0) Qfe
oc
8
14
13
9
2
5
8
0
10
3
6
5
5
5
23586.664
7
23586.419
4
23586.142 17
23585.916 26
23587.108
79Br
79Br
23227.656
23226.540
23225.418
23224.287
23223.145
23221.991
23220.820
23219.625
23218.416
23217.209
23215.993
23214.754
23213.493
23212.229
oc
23581.768 6
23581.441
0
23581.097
1
23580.720 18
23580.347 19
23579.986
6
23579.563 18
23583.233 2
23582.958 11
23582.692
2
23582.394 5
23584.697 26
23584.577 27
23584.347 17
23584.186 21
23583.941 12
23583.759 33
81Br
81Br
oc
23226.968 3
23225.864 10
23224.766
3
23223.643
2
23222.518 12
23221.361
3
23220.208 10
23219.030
6
23217.856 17 c
23216.643
3
23215.424 6
23214.218 12
23212.975
5
23211.729
9
79Br
23210.617
23209.331
23208.026
23206.703
23205.300
23203.962
23202.611
23201.199
23199.807
23198.419
23196.977
23195.536
23194.084
23192.630
23191.175
(2, 1) Pee
oc
c
34
10
8
c
20
c
34
10
13
12
4
c
20
5
3
2
12
35 c
81Br
23210.150
23208.846
23207.538
23206.225
23204.908
23203.524
23202.168
23200.821
23199.428
23198.029
23196.621
23195.192
23193.785
23192.330
23190.864
oc
1
10
10
3
13
26 c
23 c
1
9
11
10
c
17
10
3
3
322
2001 NRC Canada
J"
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
oc
22
5
13
0
4
0
1
0
4
10
7
15
6
7
6
19
10
1
13
1
11
0
2
8
13
12
16
9
7
21
6
1
2
28
12
9
79Br
22398.393
22398.092
22397.757
22397.433
22397.091
22396.731
22396.363
22395.989
22395.607
22395.198
22394.797
22394.375
22393.961
22393.526
22393.096
22392.618
22392.185
22391.703
22391.208
22390.728
22390.239
22389.717
22389.199
22388.659
22388.114
22387.589
22387.034
22386.441
22385.864
22385.261
22384.679
22384.076
22383.462
22382.805
22382.184
22380.902
(0, 2) Qfe
19
7
5
26
4
0
18
4
5
17
4
22
12
7
7
9
3
oc
2
c
17
c
29
c
18
4
10
9
22391.208 3
22390.648 9
22390.090 4
22389.523
2
22388.946
7
22388.351
5
22387.739 6
22387.139
6
22386.508 4
22385.864 18
22385.261 19
22384.594
2
22399.522
22399.152
22398.764
22398.393
22397.962
22397.537
22397.091
22396.666
22396.216
22395.780
22395.292
22394.797
22394.320
22393.829
22393.337
22392.824
22392.287
81Br
22402.246
22401.926
22401.600
22401.286
22400.975
22400.618
22400.266
(2, 0) Qfe
23578.741
23578.218
23577.665
23577.140
23576.582
23575.981
23575.396
23574.793
23574.182
23573.529
23572.878
23572.244
23571.566
23570.876
23570.173
23569.465
23568.736
23568.008
23567.234
23566.492
23565.688
23564.899
23564.088
23563.254
23562.424
23561.579
23560.726
23559.870
23558.939
23558.071
23557.132
8
7
21
6
13
9
2
0
9
12
17
9
4
1
2
4
2
15
5
20
1
4
2
11
5
1
9
29
12
23
1
c
79Br
oc
c
23582.059 14
23581.609 6
23581.166 4
23580.720
7
23580.251
8
23579.759
1
81Br
23579.144
23578.741
23578.317
23577.840
23577.393
23576.902
23576.411
23575.899
23575.396
23574.873
23574.321
23573.756
23573.179
23572.595
23572.005
23571.397
23570.768
23570.127
23569.465
23568.810
23568.125
23567.442
23566.718
23566.006
23565.297
23564.532
23563.770
23563.014
23562.218
23561.426
23560.593
23559.808
23558.939
23558.071
23557.234
23556.363
23555.449
23554.542
oc
c
26
3
11
14
5
7
7
13
2
11
4
3
8
7
2
6
2
0
10
0
7
3
c
17
10
13
6
10
6
4
3
18 c
23 c
7
c
23
6
14 c
7
8
Hirao and Bernath

323
2001 NRC Canada
(0, 2) Qfe
11
22359.473 20
22358.554 10
22357.633
8
22356.692 17
22364.001
7
22363.115
2
22362.205 18
22365.737
oc
8
0
8
15
13
14
26 c
14
23 c
25 c
36 c
7
11
8
0
22368.263 14
22367.398 20
79Br
22380.236
22379.552
22378.859
22378.156
22377.453
22376.738
22376.054
22375.280
22374.527
22373.771
22373.070
22372.254
22371.467
22370.693
22369.883
8
22373.683
22361.554
22358.695 13
22363.398
22367.006 17
22366.098 10
22365.224
8
22372.076
3
22371.253
3
22370.440 23
22369.550 24
9
10
22376.054
22375.280
22380.489 2
22379.771 4
22379.037 10
22378.306 5
22377.558 8
81Br
oc
c
22383.915 17
22383.268
5
22382.578 7
22381.885 12
(2, 0) Qfe
23524.612
23523.287
23521.955
2
0
9
oc
4
9
7
4
c
23
1
7
13
3
25 c
19 c
11
19 c
9
3
c
21
14
7
c
29
4
23533.521
6
23532.261 23
23531.033 7
23529.779 3
23528.517
6
79Br
23556.196
23555.247
23554.291
23553.331
23552.320
23551.345
23550.339
23549.319
23548.264
23547.190
23546.129
23545.057
23543.993
23542.857
23541.742
23540.631
23539.448
23538.293
23537.095
23535.931
All observed line positions are in cm 1 units.

b
Relative to last digits of observed minus calculated values.
c
Not included in this fit.
J"
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
Table A1. (concluded).
30
25
4
11
16
12
21
7
oc
c
15
8
7
c
16
2
13
30 c
24 c
6
29 c
20 c
35 c
10
25 c
23524.998 3
23523.713 4
23522.449 29
23521.130 21
23519.814 29
23518.437 11
23528.800
23538.251
23537.095
23535.931
23534.765
23533.594
23532.396
23531.222
81Br
23553.645
23552.690
23551.759
23550.775
23549.817
23548.845
23547.862
23546.795
23545.797
23544.722
23543.677
23542.595
23541.539
23540.480
324
2001 NRC Canada
Hirao and Bernath
325
Table A2. Observed line positions of the B X system of CuBr.

1
J"
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
79Br
23451.103
23451.305
23451.450
23451.585
23451.731
23451.832
(0, 0) R
b
oc
c
23
6
6 c
15 c
4c
7 c
23452.062
23452.062
23452.147
23452.147
23452.204
23452.204
23452.204
23452.147
23452.147
23452.062
23452.062
44
22
12
24
12
7
16
16
25
5
66
23451.832
23451.731
23451.585
23451.450
23451.260
23451.057
23450.888
23450.673
23450.466
23450.225
23449.963
23449.694
23449.415
23449.117
23448.797
23448.472
23448.114
23447.765
23447.385
23447.001
23446.594
23446.170
23445.738
23445.290
23444.820
23444.339
23443.849
23443.334
23442.809
23442.266
23441.712
23441.132
23440.553
23439.941
23439.327
23438.687
23438.038
23437.385
23436.708
23436.020
23435.312
23434.589
23433.851
23
38
23
36
7
19
5
2
13
10
2
1
6
7
0
4
9
2
3
3
0
3
1
3
1
1
5
1
3
1
4
4
4
6
3
10
12
2
1
3
3
3
4
c
c
c
c
c
c
c
c
c
c
c
c
c
81Br
23451.150
23451.305
23451.450
23451.585
23451.731
23451.832
oc
26 c
41 c
52 c
59 c
38 c
48 c
23452.062
23452.147
23452.147
23452.204
23452.204
23452.204
23452.204
23452.204
23452.147
23452.147
23452.062
5
24
26
4
25
30
20
4
13
42
27
23451.832
23451.731
23451.585
23451.450
23451.305
23451.150
23450.938
23450.736
23450.514
23450.276
23450.023
23449.763
23449.484
23449.184
23448.875
23448.551
23448.212
23447.856
23447.488
23447.098
23446.701
23446.281
23445.855
23445.409
23444.939
23444.470
23443.978
23443.470
23442.948
23442.408
23441.858
23441.293
23440.709
23440.113
23439.498
23438.876
23438.228
23437.578
23436.898
23436.215
23435.510
23434.798
23434.062
18
4
20
9
6
26
5
8
6
4
1
7
8
5
7
7
9
9
13
8
11
8
12
13
3
10
9
7
6
1
3
3
0
0
5
1
8
3
12
9
14
11
17
c
c
c
c
c
c
c
c
c
c
79Br
(0, 0) P
oc
23450.736
23450.514
23450.276
23450.023
23449.763
23449.484
23449.184
23448.875
23448.551
23448.212
23447.856
23447.488
23447.098
23446.701
23446.281
23445.855
23445.409
23444.939
23444.470
23443.978
23443.470
23442.948
23442.408
23441.858
23441.293
23440.709
23440.113
23439.498
23438.876
23438.228
23437.578
23436.898
23436.215
23435.510
23434.798
23434.062
23433.312
23432.551
1
2
6
11
6
6
10
9
9
8
8
5
9
5
9
4
2
10
3
3
2
2
4
1
2
1
4
2
9
6
14
9
15
15
22
21
21
24
23430.951
23430.142
23429.318
23428.475
23427.621
23426.749
23425.867
23424.965
23424.050
23423.108
23422.159
23421.206
23420.227
23419.240
23418.235
23417.222
23416.187
23415.142
23414.059
23412.979
23411.883
23410.782
1
1
2
0
1
0
4
2
4
8
10
3
6
2
1
8
9
15
2
1
1
9
c
c
c
c
81Br
oc
23450.570
23450.337
23450.094
23449.831
23449.546
23449.262
23448.952
23448.642
23448.296
23447.945
23447.586
23447.215
23446.808
23446.396
23445.969
23445.528
23445.080
23444.605
23444.115
23443.603
23443.109
23442.588
23442.006
23441.462
23440.871
23440.277
23439.673
23439.054
23438.406
23437.756
23437.086
23436.403
23435.712
23435.003
23434.271
23433.537
23432.779
2
3
1
2
10
3
6
5
4
3
5
15
5
5
4
6
15
12
8
1
22
33
2
16
2
0
2
5
5
3
6
7
1
1
4
5
3
23431.218
23430.412
23429.597
23428.772
23427.916
23427.059
23426.182
23425.285
23424.385
23423.466
23422.521
23421.581
23420.599
23419.629
23418.639
23417.617
23416.593
23415.552
23414.500
23413.433
23412.348
23411.249
1
4
2
3
6
1
2
8
2
1
9
2
15
5
0
12
10
11
9
7
7
7
c
c
2001 NRC Canada
326

J"
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
79Br
(0, 0) R
b
oc
23432.335
23430.749
23429.934
23429.102
23428.259
23427.401
23426.523
23425.639
23424.735
23423.818
5
3
0
1
0
4
1
0
2
23420.963
23419.987
23419.000
23417.990
23416.972
23415.939
23414.874
6
4
3
1
7
13
2
23412.719
23411.613
23410.510
23409.380
23408.236
23407.077
23405.905
23404.720
23403.511
23402.315
23401.070
23399.830
23398.545
23397.291
23395.978
23394.677
23393.362
23392.033
23390.688
23389.315
23387.948
23386.563
23385.159
23383.686
23382.252
23380.803
23379.341
23377.843
23376.358
23374.849
23373.312
2
9
0
1
2
3
2
1
6
16
3
10
12
11
11
5
1
8
14
7
20
30
37
12
7
2
5
10
3
8
1
23368.631
23367.051
23365.466
12
6
10
23360.540
23358.880
26
28
c
c
81Br
23433.312
23432.551
oc
21 c
23 c
23431.007
23430.201
23429.388
23428.545
23427.701
23426.835
23425.962
23425.058
23424.153
23423.224
23422.291
23421.338
23420.367
23419.385
23418.390
23417.378
23416.350
23415.309
23414.254
23413.178
23412.094
23410.988
23409.876
23408.747
23407.597
23406.443
23405.268
23404.056
23402.848
23401.641
23400.412
23399.154
23397.890
23396.624
23395.329
23394.030
23392.715
23391.375
23390.039
23388.637
23387.271
2
3
4
4
1
0
5
4
0
6
0
0
3
2
1
2
1
3
5
1
3
2
3
4
0
6
7
16
19
7
3
12
13
1
3
5
11
8
23
14
1
23383.028
23381.614
23380.159
23378.687
23377.188
23375.707
23374.180
14
10
8
4
14
2
14
23366.423
23364.818
23363.205
23361.576
2
5
6
9
c
c
79Br
23409.649
23408.516
23407.351
23406.170
23404.981
23403.796
23402.569
23401.342
23400.098
23398.846
23397.580
23396.290
23394.968
23393.649
23392.313
23390.965
23389.602
23388.236
23386.831
23385.427
23383.992
23382.556
23381.113
23379.638
23378.164
23376.658
23375.135
23373.616
23372.076
23370.508
23368.936
23367.373
23365.762
23364.151
23362.514
23360.867
(0, 0) P
oc
2
10
1
9
13
3
8
5
3
6
15
15 c
2
1
3
1
0
13
3
8
4
1
9
2
11
2
8
0
1
10
11
12
2
5
2
4
23357.536
23355.838
23354.144
23352.435
23350.695
23348.969
23347.192
23345.419
23343.620
23341.817
23340.004
23338.171
23336.317
23334.453
23332.575
23330.687
2
11
3
6
2
18
4
6
2
1
6
7
1
1
0
3
23326.870
23324.911
23322.966
23321.007
23319.030
14
10
6
0
1
81Br
23410.132
23409.007
23407.866
23406.709
23405.536
23404.350
23403.154
23401.944
oc
10
6
4
3
2
0
6
14
23399.465
23398.200
23396.932
23395.621
23394.324
23393.000
23391.665
23390.315
23388.956
23387.559
23386.178
14
10
18
2
7
3
3
3
9
8
4
23383.344
23381.900
23380.451
23378.985
23377.502
23376.003
23374.496
23372.980
1
5
2
1
2
6
1
8
23369.884
23368.310
23366.732
23365.140
23363.507
23361.885
23360.249
23358.590
23356.919
23355.241
23353.546
23351.821
23350.095
23348.357
23346.594
23344.822
23343.047
23341.239
23339.438
23337.617
23335.757
23333.900
6
0
6
12
8
3
2
1
2
5
9
2
0
4
2
3
8
0
13
20
4
4
23330.140
23328.216
23326.316
23324.396
23322.444
23320.496
23318.522
2
22
8
1
9
0
2
2001 NRC Canada
Hirao and Bernath
327

J"
124
125
126
127
128
129
130
79Br
23357.206
23355.528
23353.837
23352.131
23350.393
23348.652
23346.902
(0, 0) R
b
oc
28 c
18 c
6
5
1
5
c
15
J"
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
79Br
(0, 1) R
oc
23138.964
23139.065
23139.141
23139.219
22
20
8
12
c
c
26
5
21
23
11
16
23139.219
23139.141
23139.065
23138.964
23138.856
23138.719
23138.583
23138.441
23138.263
23138.085
23137.871
23137.679
23137.446
23137.214
23136.953
23136.678
23136.395
23136.084
23135.790
23135.464
23135.113
23134.756
23134.387
23134.004
5
13
5
8
4
14
8
5
3
3
12
8
3
12
7
1
3
10
9
10
1
0
0
2
23132.750
23132.324
23131.875
23131.396
23130.913
23130.419
23129.895
23129.391
14
1
7
1
1
5
7
15
23139.336
23139.336
23139.336
23139.336
23139.336
23139.336
c
c
c
c
c
c
c
81Br
23358.278
23356.632
oc
10
15
23353.226
23349.792
23348.058
3
5
81Br
23139.971
oc
0
23140.710
23140.805
23140.906
23140.985
23140.985
23141.081
23141.081
23141.081
23141.081
23141.081
23141.081
23140.985
23140.985
23140.906
23140.805
23140.710
23140.606
23140.475
23140.332
23140.019
23139.835
23139.656
23139.429
23139.219
23138.964
23138.719
23138.441
23137.871
23137.551
23137.214
23136.890
23136.534
23136.178
23135.790
23135.405
23134.995
23134.574
23134.123
23133.689
23133.208
23132.750
23132.236
23131.732
23131.228
21
14
29
35
23
28
2
18
20
7
19
36
19
9
9
7
0
5
8
2
0
17
1
15
0
8
3
5
6
19
5
9
1
6
3
1
3
10
6
9
12
9
6
12
79Br
(0, 0) P
oc
81Br
oc
79Br
(0, 1) P
oc
81Br
oc
23139.141
23138.085
23137.798
1
12
23137.149
23136.795
4
8
23136.084
23135.688
23135.290
23134.880
23134.453
23134.004
7
4
4
1
1
9
23133.079
10
23132.101
23131.585
23131.060
7
12
11
23129.391
18
23128.220
23127.608
10
12
23126.352
23125.710
23125.041
23124.354
23123.661
23122.954
23122.228
23121.497
23120.725
23119.976
23119.197
23118.402
23117.598
23116.770
23115.934
23115.088
23114.206
23113.346
23112.460
5
7
4
2
0
2
1
5
16
0
1
1
3
4
5
1
20
2
3
23137.388
23137.149
23136.890
10
17
18
23136.301
23135.992
23135.688
9
16
2
23134.995
23134.668
23134.270
19
15
9
23133.480
23133.079
23132.617
8
8
23
23131.732
23130.762
23130.265
23129.747
23129.237
23128.670
23128.111
23127.544
23126.965
23126.352
9
3
4
17
4
3
4
13
3
23125.103
23124.461
23123.801
23123.137
23122.441
23121.721
23121.012
23120.286
23119.530
23118.782
23118.010
23117.215
23116.424
23115.597
23114.763
23113.936
23113.069
23112.198
23111.317
23110.400
2
5
5
16
7
11
3
1
9
2
3
4
6
5
9
8
0
2
7
9
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
2001 NRC Canada
328

J"
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
79Br
23128.834
23128.278
23127.716
23127.145
23126.533
(0, 1) R
oc
0
1
6
c
19
4
23125.283
23124.649
23124.001
23123.323
23122.641
23121.942
23121.236
23120.506
23119.763
23119.006
23118.247
23117.461
23116.665
23115.868
23115.032
23114.206
23113.346
23112.460
6
0
6
2
1
3
3
2
5
8
1
2
2
11
0
13
6
13
23110.700
23109.792
23108.865
23107.932
23106.979
23106.009
3
5
0
5
4
0
23104.042
23103.026
23102.012
23101.000
23099.930
23098.859
23097.775
23096.680
23095.571
23094.473
23093.333
23092.174
23091.010
23089.848
23088.660
23087.446
23086.229
23085.005
23083.758
23082.509
23081.221
23079.933
23078.634
23077.340
23075.996
23074.651
23073.293
23071.925
23070.548
6
2
5
29
9
1
5
8
11
11
4
7
9
5
6
5
4
2
1
11
5
6
4
16
1
2
5
3
3
81Br
23130.689
23130.127
23129.565
23128.989
23128.399
23127.794
oc
8
4
2
1
1
3
23126.533
23125.899
23125.230
23124.549
23123.861
5
9
2
2
0
23122.441
23121.721
23120.948
23120.198
3
14
12
2
23118.636
23117.840
23117.028
23116.197
23115.346
23114.485
23113.606
23112.718
23111.828
23110.919
23109.985
23109.046
23108.086
23107.123
23106.142
23105.135
23104.134
23103.104
23102.069
23101.000
23099.930
23098.859
23097.775
23096.680
23095.571
23094.417
23093.263
23092.100
23090.911
23089.724
23088.516
23087.318
23086.068
23084.837
23083.576
23082.292
23081.003
23079.702
23078.389
23077.058
23075.710
23074.356
23072.984
23071.603
1
5
9
9
1
2
8
11
0
5
1
2
3
3
6
4
7
1
6
10
14
4
6
19
33
15
10
10
2
2
0
20
2
18
16
5
3
3
5
2
4
3
5
4
c
c
c
c
79Br
23109.501
23108.569
23107.622
23106.661
23105.683
23104.716
23103.706
23102.698
23101.665
23100.656
23099.583
23098.503
23097.412
23096.302
23095.189
23094.078
23092.942
23091.781
23090.601
23089.432
23088.232
23087.024
23085.801
23084.565
23083.311
(0, 1) P
oc
7
4
0
3
10
9
1
4
0
33 c
15 c
5
2
13
14
2
6
1
13
1
3
0
1
4
1
23080.768
23079.470
23078.164
23076.831
23075.501
23074.149
23072.789
23071.412
23070.018
23068.611
23067.193
23065.762
23064.312
23062.847
23061.381
23059.892
23058.388
23056.874
23055.341
23053.803
23052.248
23050.672
23049.082
23047.499
23045.883
23044.256
23042.617
23040.969
23039.303
23037.616
23035.928
23034.211
23032.480
23030.749
5
1
3
7
1
4
1
0
3
4
3
1
4
9
0
1
2
1
4
1
3
2
7
8
4
3
3
8
9
3
8
1
11
6
81Br
23111.568
23110.628
23109.702
23108.761
23107.791
23106.815
23105.825
23104.819
23103.808
23102.763
23101.726
23100.656
23099.583
23098.503
23097.412
23096.302
23095.189
23094.030
23092.881
23091.705
23090.517
23089.311
23088.118
23086.896
23085.657
23084.400
23083.131
oc
c
17
5
3
9
1
0
0
3
3
11
2
14
14
7
2
7
c
22
6
13
8
4
5
14
c
17
c
17
13
12
23080.553
23079.243
23077.922
23076.581
23075.229
23073.869
23072.493
23071.098
23069.693
23068.267
23066.837
23065.392
23063.936
23062.455
23060.984
23059.468
23057.970
23056.431
23054.899
23053.351
23051.779
23050.212
23048.597
23046.990
23045.367
23043.722
23042.088
23040.419
23038.750
23037.057
23035.344
23033.642
23031.907
23030.173
8
7
8
2
0
3
4
1
1
9
7
6
4
12
3
12
3
8
1
8
4
18
2
1
1
9
6
0
8
4
6
10
5
15
2001 NRC Canada
Hirao and Bernath
329

J"
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
J"
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
79Br
23067.734
23066.306
23064.862
23063.424
23061.950
23060.469
23058.984
(0, 1) R
oc
2
5
10
4
3
5
3
23055.963
23054.431
23052.864
23051.300
11
14
6
7
23046.551
23044.919
23043.311
23041.644
23039.982
23038.330
23036.633
23034.944
23033.227
12
4
18
5
10
9
4
5
0
79Br
(0, 2) R
oc
81Br
23070.198
23068.797
23067.370
23065.929
23064.478
23063.016
23061.551
23060.055
23058.543
23057.040
23055.496
23053.958
23052.390
23050.831
23049.233
23047.615
23046.021
23044.402
23042.738
23041.103
oc
12
3
6
10
10
7
6
1
6
9
3
5
4
10
2
c
20
1
6
c
18
1
23037.760
23036.054
23034.359
23032.638
5
8
4
3
81Br
oc
22830.986
22831.138
22831.267
79Br
(0, 1) P
oc
79Br
(0, 2) P
oc
3
9
5
22827.864
39
22828.051
22825.627
19
22828.191
38
22825.039
22824.734
22824.408
22824.069
22823.719
22823.359
22822.998
22822.598
22822.195
22821.780
22821.355
22820.920
22820.442
22819.974
22819.500
22819.004
22818.490
22817.970
22817.429
22816.896
9
13
9
6
4
8
22
12
12
12
17
25
3
5
14
14
10
13
8
25
22815.752
22815.183
22814.569
21
42
32
22828.408
22828.408
22828.408
22828.408
22828.408
22828.408
22828.408
17
10
23
24
10
16
56
c
c
c
c
c
c
c
41
40
7
22827.864
22827.709
22827.548
34
13
1
22827.203
22827.034
22826.826
11
8
0
22828.191
22828.191
22828.051
22831.752
22831.752
22831.843
22831.843
22831.843
22831.843
22831.843
22831.843
22831.752
22831.752
25
29
23
4
17
17
4
23
29
24
c
c
22831.267
22831.138
22830.986
22830.060
22829.825
22829.588
4
8
2
6
4
2
c
c
c
c
c
c
c
c
c
c
81Br
23028.410
23026.643
oc
9
13
81Br
oc
22830.060
22829.825
22829.588
22829.341
8
1
1
6
22828.775
22828.511
22828.191
22827.864
22827.548
22827.203
22826.826
15
14
0
8
7
8
10
22825.677
22825.265
22824.852
22824.408
22823.973
22823.489
22822.998
22822.519
22822.022
22821.502
22820.976
22820.442
22819.894
22819.287
22818.721
22818.120
22817.516
4
4
9
3
20
0
13
0
8
5
10
20
29
6
11
7
14
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
2001 NRC Canada
330

J"
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
79Br
22825.627
22825.039
22824.734
22824.408
22824.069
22823.719
22823.359
22822.998
22822.598
22822.195
22821.780
22821.355
22820.920
22820.442
22819.974
22819.500
22819.004
22818.490
22817.970
22817.429
22816.896
22816.367
22815.752
22815.183
22814.569
22813.329
22812.697
22810.689
22809.948
22809.273
22808.576
22805.532
22802.338
22800.632
22798.892
22797.977
22797.091
22796.146
22795.227
22794.253
22793.325
22792.343
22791.380
22790.369
22789.356
22788.329
22787.292
22786.232
22785.193
(0, 2) R
oc
8
4
1
5
9
11
9
5
7
8
8
4
2
21
20
12
13
19
17
23
7
26
14
5
6
4
6
3
44
10
13
22828.775
22828.511
22828.191
22827.864
22827.548
22827.203
22826.826
18
10
5
13
2
3
16
79Br
22813.329
22812.697
(0, 2) P
oc
c
38
c
49
22810.689
22809.948
22809.273
22808.478
51
7
42
30
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
22825.677
22825.265
22824.852
22824.408
22823.973
22823.489
22822.998
22822.519
22822.022
22821.502
22820.976
22820.442
22819.894
22819.287
22818.721
22818.120
22817.516
22816.896
22816.275
22815.621
22814.964
22814.260
22813.586
11
12
0
6
9
11
24
13
6
9
5
4
12
25
8
13
8
6
8
3
8
21
8
22805.481
c
c
c
c
c
c
c
c
45
22810.689
22809.948
22809.165
22808.393
22807.600
22
9
25
19
18
22805.970
22805.126
22804.269
23
36
48
22799.893
25
c
c
c
c
c
c
22797.091
22796.146
22795.135
22794.163
22793.199
22792.129
22791.122
22790.073
3
20
16
1
38
19
2
8
22803.064
22802.270
10
25
22800.540
22797.903
22796.993
22796.060
22795.135
22794.163
5
3
7
3
21
22792.244
22791.265
22790.254
22789.236
22788.211
22787.169
22786.132
3
5
4
7
4
6
11
22783.983
22782.889
22781.782
22780.648
22779.508
22778.380
22777.216
22776.063
22774.902
22773.673
22772.447
22771.231
22769.961
22768.728
9
8
8
7
15
3
2
17
40
9
5
3
30
13
22766.227
22764.914
25
1
22762.292
22759.622
22758.284
22756.926
22755.522
22754.115
22752.702
4
11
20
4
19
25
22812.134
22802.563
oc
c
17
c
33
c
29
c
35
c
8
22 c
22812.134
11
22810.689
22809.948
22809.165
22808.393
22807.600
15
30
15
24
27
22805.970
22805.126
22804.269
26
16
6
22802.563
22801.638
22800.740
34
4
3
22798.892
22797.977
22796.993
22796.060
22795.072
22794.091
22793.066
22792.049
22791.026
13
12
21
12
1
12
9
9
2
22788.932
22787.864
22786.766
22785.679
3
5
11
3
22782.324
22781.160
22780.009
6
11
2
22777.655
22775.259
18
22772.769
22771.545
22770.254
22768.941
22767.678
22766.400
10
16
11
49
23
1
22763.784
22762.415
27
2
22758.284
22756.926
22755.522
22754.115
34
1
0
9
81Br
22816.896
22816.275
22815.621
22814.964
22814.260
22813.586
9
14
8
12
14
0
29
1
9
12
0
2
5
5
15
9
oc
3
14
21
81Br
22829.341
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
2001 NRC Canada
Hirao and Bernath
331

J"
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
J"
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
79Br
(0, 2) R
oc
22783.038
22781.914
22780.805
22779.699
22778.541
22777.386
22776.178
22775.044
22773.803
19
2
4
27
10
9
31
15
33
22770.154
22768.941
22767.678
22766.400
24
8
3
4
22763.784
22762.517
39
3
22757.162
22755.759
22754.371
22752.983
22751.570
15
14
15
3
5
22748.720
79Br
22518.725
22518.725
c
c
c
(0, 3) R
oc
12
81Br
22787.959
22786.884
22785.786
22784.692
22783.549
22782.448
22781.282
22780.132
22778.980
22777.820
22776.612
22775.370
oc
4
1
6
4
c
22
7
16 c
10
6
29 c
15
20 c
22772.936
22771.679
22770.431
22769.150
1
12
3
12
22766.575
22763.961
22762.612
22761.284
11
4
17
22758.535
22757.162
22755.759
1
13
8
81Br
oc
22523.354
22523.517
22523.675
22523.801
22523.930
22524.046
22524.137
22524.235
17
15
6
16
12
7
15
5
22524.356
22524.437
22524.502
22524.502
22524.502
22524.502
22524.502
22524.437
22524.437
22524.356
20
12
39
14
2
2
15
26
12
20
22524.235
22524.137
22524.046
22523.930
22523.801
22523.675
22523.517
22523.354
4
15
7
11
16
6
15
17
79Br
22748.437
(0, 2) P
oc
81Br
3
22752.675
22751.253
oc
1
c
19
22748.297
14
22745.340
22743.829
4
1
22740.762
22739.253
19
16
22736.121
11
22731.330
c
c
79Br
(0, 3) P
oc
81Br
oc
22522.805
22522.358
22522.121
22521.900
22521.625
22521.355
22521.078
22520.795
22520.453
22520.143
22519.835
20
21
6
9
6
3
18
14
2
25
22518.725
c
c
c
22516.806
37
22516.238
22515.947
22515.681
22515.323
22515.017
22514.675
22514.342
8
6
40
4
16
12
30
c
c
c
c
c
c
c
c
c
c
c
c
c
0
10
27
28
38
22516.238
22510.166
22509.638
22509.158
50
11
31
22515.323
22514.838
22514.342
14
12
12
22508.084
22507.581
22507.022
4
31
23
22513.314
22512.784
22512.234
13
15
11
22512.784
22512.380
22511.971
22511.534
22511.093
c
c
c
c
c
c
c
c
c
2001 NRC Canada
332

J"
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
79Br
(0, 3) R
oc
22516.806
25
22516.238
22515.947
22515.681
22515.323
22515.017
22514.675
22514.342
6
9
25
21
2
7
11
c
c
c
81Br
22523.003
22522.805
oc
7
8
22522.358
22522.121
22521.900
22521.625
22521.355
22521.078
22520.795
22520.453
22520.143
22519.835
21
22
6
10
7
1
16
16
5
22
22518.725
10
24
15
0
1
9
22516.238
22510.166
22509.638
22509.158
22508.677
19
23
4
27
22515.323
22514.838
22514.342
4
1
0
22507.581
22506.502
22505.949
23
43
22504.743
22504.107
22
4
22513.314
22512.784
22512.234
22511.660
22511.093
22510.529
22509.959
22509.307
22508.677
22508.084
22507.484
22506.767
22506.115
22505.432
22504.743
22504.026
22503.330
22502.586
22501.871
22501.098
22500.330
22499.551
22498.802
22497.978
22497.176
22496.355
1
0
6
24
23
6
17
29
41
5
37
25
11
16
13
27
8
25
0
21
25
28
12
12
1
3
22502.195
22501.542
22500.891
22500.176
9
2
19
10
22498.802
23
22497.327
22496.586
22495.810
22495.073
22494.255
22492.706
22491.854
22491.055
22490.155
22489.305
3
9
8
26
8
46
14
48
7
1
c
c
22503.454
22502.792
c
c
22497.978
22497.249
22496.509
22495.746
22494.998
22494.192
22493.375
22492.571
c
c
c
c
c
c
22486.702
22485.799
42
44
22483.002
38
22492.947
15
22491.137
22490.252
22489.305
22488.374
11
13
13
10
22500.797
22500.117
22499.404
22512.784
22512.380
22511.971
22511.534
22511.093
79Br
22506.445
22505.886
22505.295
c
c
c
c
c
c
c
c
c
c
22490.942
22490.035
22489.200
22488.374
22487.475
22486.534
22485.623
22483.762
22482.873
22481.861
22480.912
22479.908
22478.911
22477.893
22476.941
22475.868
22474.818
c
c
c
c
22472.663
22471.602
22470.524
c
c
c
22468.277
22467.134
c
c
22463.695
22462.511
22461.338
22460.170
22458.911
22457.682
c
22455.211
22453.985
22450.096
(0, 3) P
oc
81Br
9
22511.660
c
25
22511.093
c
22
22510.529
22509.915
22509.307
c
20
22508.677
5
22508.084
22507.484
22506.767
12
22506.115
5
22505.432
18 c
22504.743
22504.026
7
22503.330
0
22502.586
10
22501.871
8
22501.098
c
35
22500.330
15
22499.551
3
22498.743
4
22497.978
22497.176
c
34
22496.289
c
25
22495.434
0
22494.604
c
47
22493.751
c
34
9
22492.000
12
22491.055
22490.155
c
16
22489.200
c
41
22488.286
11
22487.353
11
22486.422
10
22485.408
11
22484.430
21 c
22483.437
c
47
22482.426
6
22481.390
1
22480.347
22479.297
28 c
22478.250
9
7
22476.111
22475.042
c
17
22473.885
c
30
22472.763
22471.677
22470.524
6
22469.346
12
22468.172
6
22467.015
c
40
22465.824
4
22464.601
6
22463.416
22462.202
13
22460.937
c
50
22458.412
22457.154
c
22
22455.871
22454.548
oc
c
6
c
4
c
15
5
c
6
17 c
21 c
65 c
4c
20 c
18 c
22 c
10 c
31 c
17 c
c
44
c
25
c
24
c
23
6
c
44
c
57
2
c
17
6
c
17
31
13
0
31
6
9
40
1
8
13
13
2
10
13
2
13
38
12
14
30
20
3
10
12
12
7
23
35
9
2
15
18
6
c
c
c
c
2001 NRC Canada
Hirao and Bernath
333

J"
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
J"
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
79Br
(0, 3) R
oc
22481.093
22480.113
22479.096
22478.109
50
50
24
40
22476.019
22473.963
29
22471.798
22470.716
4
10
22468.538
22467.447
22466.278
22465.050
22463.919
22462.768
22461.608
45
77
45
35
6
16
40
79Br
23744.392
23744.517
23744.605
23744.672
23744.741
23744.787
23744.787
23744.787
23744.787
23744.741
23744.672
23744.605
23744.517
23744.426
23744.298
23744.168
23744.017
23743.837
23743.641
23743.468
23743.229
23743.027
23742.759
23742.509
23742.237
23741.935
23
3
13
7
15
6
8
5
7
4
6
1
2
14
27
2
26
4
18
4
3
3
oc
c
38
79Br
22447.484
(0, 3) P
oc
81Br
c
44
22453.255
22485.491
19
22483.491
22482.514
22481.534
22480.485
22479.445
22478.352
22477.314
43
14
25
5
8
32
4
22444.794
22443.408
22442.030
22440.672
22439.296
22437.872
22436.410
36
10
3
28
47
30
12
22475.173
22474.020
22472.963
22471.798
22470.659
23
28
29
10
11
22468.375
16
22464.816
22463.630
22462.377
22461.100
22459.900
22458.669
22457.391
12
35
3
41
4
29
19
81Br
23742.237
oc
c
14
oc
11
c
c
c
c
c
c
c
c
c
c
22450.604
22449.233
22447.895
22446.503
22445.130
17
8
12
10
1
22442.326
81Br
oc
23741.839
23741.626
23741.402
25
21
12
23740.591
23740.341
23740.011
23739.689
29
18
0
7
23738.993
15
23738.205
23737.816
23737.383
23736.932
23736.490
23735.996
23735.536
23735.020
23734.468
23733.964
23733.420
23732.836
23732.265
23731.667
23731.029
23730.412
23729.788
23729.129
4
14
5
7
8
15
12
1
33
3
4
14
3
1
26
12
10
12
c
c
(1, 0) R
oc
2
20
17
9
81Br
22487.475
c
c
c
c
c
c
c
c
c
c
c
c
c
c
23743.027
23743.133
23743.133
23743.229
23743.229
23743.229
23743.229
23743.229
23743.133
23743.133
23743.027
23742.961
23742.863
23742.759
23742.609
23742.455
23742.306
23742.127
23741.935
23741.712
23741.486
23741.232
23740.965
23740.709
23740.401
0
31
27
27
1
9
3
18
40
13
23
4
1
12
5
10
6
7
12
1
3
6
13
8
9
c
c
79Br
(1, 0) P
oc
23742.961
23742.455
23742.127
23741.839
18
26
14
23740.856
23740.504
23740.100
1
11
13
23739.288
23738.886
23738.419
23737.975
23737.491
16
11
12
5
3
23736.490
c
c
c
c
c
c
c
c
c
c
c
23735.421
23734.862
23734.298
23733.708
23733.103
5
8
2
1
1
23731.836
23731.211
23730.527
8
20
5
2001 NRC Canada
334

J"
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
79Br
23741.626
23741.299
23740.965
23740.591
23740.221
23739.820
23739.429
23738.993
23738.552
23738.098
23737.633
23737.143
23736.628
23736.129
23735.585
23735.020
23734.468
23733.870
23733.278
23732.662
23732.023
23731.388
23730.714
23730.034
23729.327
23728.631
23727.902
23727.149
23726.406
(1, 0) R
oc
1
1
9
6
0
9
8
4
5
3
4
2
9
12
4
8
8
6
2
2
5
9
1
0
11
5
5
4
14
23724.824
23724.025
23723.193
23722.348
23721.496
23720.606
23719.743
23718.838
23717.907
23716.986
23716.026
23715.049
23714.069
23713.083
23712.061
23711.026
23709.977
23708.924
23707.832
23706.752
23705.667
23704.508
23703.384
23702.209
23701.041
23699.845
23698.637
23697.434
23696.181
23694.928
23693.657
23692.372
0
8
1
4
0
18
7
6
5
9
0
9
5
7
1
3
6
4
9
5
31
3
16
1
5
2
5
13
3
4
6
7
81Br
23740.100
23739.769
23739.429
23739.078
23738.708
23738.331
23737.922
23737.491
23737.047
23736.628
23736.129
23735.659
23735.161
23734.658
23734.125
23733.578
23733.014
23732.448
23731.836
oc
2
9
9
4
3
7
1
11
19 c
12
20 c
8
7
5
1
1
2
10
9
23730.606
23729.970
23729.327
23728.631
23727.954
23727.250
23726.524
23725.791
23725.045
23724.264
23723.485
23722.698
23721.885
23721.044
23720.190
23719.338
23718.453
23717.559
23716.674
23715.732
23714.773
23713.786
23712.846
23711.860
23710.871
23709.848
23708.825
23707.764
23706.702
23705.609
23704.508
23703.384
23702.271
23701.128
23699.967
23698.802
23697.594
23696.384
23695.165
23693.935
23692.667
23691.396
4
1
15
8
3
3
3
0
6
8
3
9
11
0
7
3
4
4
21
4
15
45
12
10
4
1
13
3
7
3
7
17
0
2
1
12
3
6
2
7
6
8
c
c
79Br
23729.841
23729.129
23728.431
23727.691
23726.943
23726.172
23725.389
23724.591
23723.780
23722.948
23722.110
23721.245
23720.362
23719.464
23718.571
23717.639
23716.674
23715.732
23714.773
23713.786
23712.784
23711.757
23710.719
23709.656
23708.594
23707.516
23706.418
23705.283
23704.169
23703.034
23701.859
23700.681
23699.486
23698.261
23697.048
23695.794
23694.553
23693.268
23691.984
23690.673
23689.347
23688.011
23686.665
23685.293
23683.915
23682.505
23681.091
23679.659
23678.215
23676.754
23673.780
23672.262
23670.749
23669.198
23667.645
23666.071
23664.482
23662.880
23661.260
23659.619
23657.976
(1, 0) P
oc
5
6
13
6
7
2
0
1
1
2
5
1
4
9
6
1
c
25
10
3
5
7
1
0
12
5
1
3
c
17
1
13
2
3
3
11
2
8
9
2
3
2
6
5
2
1
6
4
2
2
1
3
2
5
8
2
2
1
1
2
2
3
4
81Br
23728.431
23727.738
23727.046
23726.309
23725.584
23724.824
23724.025
23723.258
23722.453
23721.640
23720.795
23719.940
23719.080
23718.189
23717.296
23716.383
23715.448
23714.502
23713.534
23712.542
23711.569
23710.558
23709.528
23708.494
23707.439
23706.372
23705.283
23704.169
23703.034
23701.913
23700.766
23699.607
23698.423
23697.226
23696.005
23694.775
23693.538
23692.284
23691.004
23689.714
23688.411
23687.084
23685.734
23684.368
23683.023
23681.633
23680.230
23678.829
23677.372
23675.928
23674.476
23673.003
23671.512
23670.005
23668.476
23666.943
23665.376
23663.807
23662.226
23660.611
23659.004
23657.374
oc
8
8
9
3
13
10
17 c
4
4
11
1
2
5
3
3
5
0
0
6
c
21
0
2
7
1
1
6
4
6
c
22
9
5
2
0
0
8
9
1
5
0
2
6
1
11
24 c
1
5
7
8
17 c
15
3
1
4
6
2
8
3
1
5
8
1
5
2001 NRC Canada
Hirao and Bernath
335

J"
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
79Br
23691.080
23689.767
23688.411
23687.084
23685.734
23684.368
23682.942
23681.555
23680.124
23678.675
23677.218
23675.746
23674.242
23672.746
23671.231
23669.686
23668.151
23666.579
23664.979
23663.398
23661.807
23660.156
23658.518
23656.852
23655.174
23653.488
23651.775
23650.060
23648.298
23646.560
23644.797
23643.014
23641.216
23639.386
23637.569
23635.731
J"
0
1
2
3
4
79Br
23119.910
23631.980
23626.266
23120.198
23120.506
(1, 0) R
oc
1
4
c
21
1
12
24 c
7
16 c
11
3
3
4
12
3
1
9
7
1
c
16
1
c
23
1
7
1
1
4
3
5
c
20
5
1
2
3
11
2
9
3
4
81Br
23690.118
23688.821
23687.497
23686.169
23684.814
23683.453
23682.065
23680.681
23679.272
23677.866
23676.408
23674.955
23673.491
23671.996
23670.493
23668.964
23667.440
23665.890
23664.320
23662.727
23661.141
23659.550
23657.904
23656.293
23654.618
23652.950
23647.833
23646.085
5
9
23642.566
23640.804
23639.011
23637.184
23635.376
23633.530
23631.678
15
3
6
10
7
1
6
23627.903
23626.029
23624.087
23622.152
12
16
8
11
(1, 2) R
oc
81Br
27 c
23121.721
17
17
oc
0
4
3
0
6
4
13
3
2
18 c
1
5
12
5
5
6
4
3
2
15
5
c
15
5
c
26
8
13
23122.049
23122.228
23122.294
oc
5 c
5
32
31
c
c
c
23642.414
23640.620
23638.787
23636.943
23635.088
23633.234
23631.339
23629.440
23627.533
23625.598
23623.652
23621.707
23619.719
23617.730
23615.718
23613.702
(1, 0) P
oc
81Br
12
23655.722
5
23654.056
23652.367
6
23650.684
c
17
23648.973
4
23647.243
5
23645.504
23643.743
1
23641.982
13
23640.183
2
23638.390
5
23636.583
7
23634.735
7
23632.896
4
23631.031
4
23629.160
3
23627.269
2
23625.347
2
23623.420
13
23621.463
1
4
23617.564
2
23615.575
4
23613.578
23609.603
23607.521
5
19
23603.352
23601.257
23599.115
23596.960
23594.815
23592.624
23590.426
23588.248
23586.017
6
13
1
11
4
13
21
6
5
23581.524
12
23576.994
23574.698
23572.376
23570.068
23567.716
23565.375
23562.974
23560.593
23558.207
23555.768
23553.331
23550.900
23548.455
23545.992
5
5
6
12
1
16
13
8
8
15
21
6
11
23
79Br
23656.293
23654.618
23651.218
23649.500
23647.743
23645.984
79Br
23119.530
23119.306
23119.006
23118.782
1
5
2
23609.539
23607.521
23605.429
23603.352
23601.257
23599.162
23597.056
23594.897
23592.744
4
32
1
0
5
6
22
2
3
23586.207
23583.995
23581.768
3
3
1
23577.269
23574.995
0
3
81Br
oc
23120.872
27
c
c
(1, 2) P
oc
36
28
42
22
oc
1
2
12
0
1
7
4
10
0
12
3
7
8
0
2
5
8
5
8
c
26
c
c
c
2001 NRC Canada
336

J"
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
79Br
(1, 2) R
oc
23120.725
18
23120.872
23120.948
5
23
23121.012
23121.012
23121.012
23121.012
12
4
5
8
23120.948
23120.872
12
8
23120.725
23120.506
c
c
c
23120.116
23119.910
23119.724
23119.530
23119.306
23119.082
26
10
13
8
19
16
23118.636
35
23117.461
23117.125
23116.770
23116.424
23116.034
23115.652
23115.273
23114.850
23114.392
26
16
2
12
8
6
13
2
29
23113.506
23113.069
23112.564
23112.054
23111.568
23111.051
19
13
8
20
6
15
23107.622
23106.979
23106.309
23105.683
23105.010
23104.288
23103.620
23102.917
23102.185
23101.432
23100.656
42
26
5
23
19
22
7
15
8
6
29
23122.228
23122.049
23121.942
23121.721
4
34
12
41
79Br
23118.568
23118.247
23118.010
23117.028
23116.665
23116.323
23115.934
23115.597
23114.763
(1, 2) P
oc
81Br
23 c
c
25
23120.116
26 c
23119.530
23119.197
9
23118.946
c
27
23118.568
11
23118.247
c
27
23117.840
c
23
23117.461
7
23113.864
18
23112.985
23112.460
23112.002
34
4
39
23110.919
23110.400
23109.792
23109.246
2
27
22
4
23108.086
23107.443
23106.815
23106.142
23105.480
23104.819
23104.134
23103.459
23102.763
23102.012
31
3
5
25
29
18
17
8
27
5
23100.498
23099.741
23098.980
23098.131
23097.340
23096.521
23095.659
9
5
30
20
3
13
8
23093.057
23092.174
23091.238
23090.319
23089.382
23088.423
23087.446
23086.462
23085.462
23084.450
23083.425
23082.388
23081.343
23080.282
1
17
6
1
5
1
6
7
10
10
10
8
1
7
23078.103
23077.012
23075.881
6
24
17
c
c
c
c
c
37
40
oc
1c
17 c
15 c
33 c
c
25
c
2
c
27
c
43
c
44
c
32
c
5
c
35
c
20
c
1
c
2
c
20
23118.010
23109.411
81Br
23122.441
23122.557
23122.641
23122.732
23122.732
23122.803
23122.803
23122.803
23122.803
23122.803
23122.803
23122.732
23122.732
23122.641
23122.557
23122.441
23120.948
23120.725
1
17
23120.198
23119.910
10
4
23119.306
23119.006
23118.636
23118.247
23117.904
4
27
5
42
19
23117.125
24
23116.323
23115.868
23115.433
23114.968
23114.485
5
14
1
1
4
23113.506
23112.955
23112.460
17
13
27
23111.317
c
c
c
19
39
36
2
33
6
1
23116.665
23116.197
11
32
23115.346
23114.850
23114.392
23113.864
23113.346
23112.842
23112.292
23111.768
10
18
6
26
34
14
26
3
23110.628
23109.411
23108.761
23108.156
4
32
0
23106.815
23106.142
23105.480
26
20
11
23104.042
23101.000
23100.221
16
4
23098.594
23097.775
23096.923
23096.051
23095.189
23094.291
7
7
2
9
4
4
23091.542
23090.601
23089.626
23088.660
23087.685
23086.690
23085.657
23084.636
23083.576
23082.509
2
2
14
7
5
10
9
1
18
29
23080.382
23079.243
23078.164
1
42
10
c
c
c
c
c
c
c
c
c
23110.184
31
23108.946
23108.279
23107.622
23106.979
23106.309
23105.628
23104.920
23104.211
23103.459
23102.698
17
16
27
8
3
6
1
10
12
27
c
c
15
c
c
oc
c
c
c
c
c
c
2001 NRC Canada
Hirao and Bernath
337

J"
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
J"
0
1
2
3
4
79Br
23099.930
23099.124
23098.342
23097.526
23096.680
23095.861
(1, 2) R
oc
12
12
1
5
c
27
8
23094.140
23093.263
12
8
23091.470
23090.517
23089.626
23088.660
23087.685
23086.690
23085.715
23084.703
23083.698
1
29
16
1
10
26
9
14
2
23080.553
23079.470
23078.389
2
3
6
23076.162
23075.015
23073.869
23072.703
23071.526
3
12
11
17
20
23067.938
23066.712
23065.474
23064.200
23062.953
1
3
9
7
18
23059.048
23057.705
23056.364
23055.002
23053.646
23052.248
23050.831
11
4
5
12
1
15
35
23046.551
23045.136
23043.637
44
8
42
79Br
22810.920
oc
8
5
5
21 c
23097.125
23095.389
23091.781
23090.820
23089.848
23088.897
23087.912
23086.896
23085.930
16
4
21
4
6
26
18
c
c
23080.652
23079.563
1
3
23077.340
23076.209
8
12
c
c
79Br
23074.736
23073.588
23072.400
23071.218
23070.018
23068.797
23067.599
23066.378
23065.115
23063.878
23062.565
23061.282
23060.000
23058.658
23057.334
23055.963
23054.633
23053.261
23051.855
(1, 2) P
oc
10
13
8
11
c
17
c
30
7
8
5
c
21
14
7
c
17
6
3
c
21
10
12
5
23047.615
23046.170
23044.708
23043.233
23041.740
4
4
1
4
12
23038.750
10
c
c
c
c
23073.869
23072.703
23071.526
17
7
6
23034.108
23032.519
11
32
23029.383
81Br
23077.058
23075.881
23074.736
23073.588
23072.400
23071.218
23070.018
23068.797
23067.539
23066.306
23065.031
23063.753
23062.455
23061.151
oc
11
28 c
18 c
0
6
7
c
16
c
18
5
13
2
2
5
3
23058.495
23057.155
23055.798
23054.431
23053.027
7
1
3
10
6
23050.212
23048.796
5
9
23045.883
23044.402
23042.935
6
17
0
23039.930
23038.391
23036.841
23035.344
23033.766
23032.149
3
11
23
31
19
19
81Br
oc
22813.658
22813.453
22813.183
18
1
30
c
c
c
c
23066.644
23065.392
23064.083
23062.847
23061.518
22
28
9
41
13
23058.864
23057.509
23056.173
23054.827
23053.434
23052.012
0
15
4
26
15
11
23049.172
18
23044.816
24
23041.882
10
81Br
22814.260
oc
12
22814.569
33
(1, 3) R
oc
16
81Br
23101.958
23101.187
23100.400
23099.583
79Br
(1, 3) P
oc
22814.902
21
22810.154
22809.948
22809.696
5
16
5
2001 NRC Canada
338

J"
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
79Br
22811.794
22811.973
22811.973
22811.973
22811.973
22811.794
22810.920
22810.154
22809.948
22809.696
22809.434
22809.165
22808.886
22808.628
(1, 3) R
oc
16
8
5
5
9
19
10
2
24
13
6
5
6
43
22807.969
22807.600
13
20
22806.546
22806.155
22805.748
22805.332
10
7
2
0
22804.464
22803.515
22803.064
22802.563
22802.056
22801.537
22801.006
22800.453
22799.893
22799.315
22798.719
22798.125
22797.509
22796.890
22796.249
22795.593
22794.922
22794.253
22793.568
22792.840
24
6
1
2
4
8
3
5
1
7
0
1
7
8
6
2
14
23
2
c
c
c
c
81Br
22814.964
22815.129
22815.183
22815.277
oc
c
36
c
24
15
1
79Br
22809.434
22809.165
22808.886
22808.628
22815.402
22815.402
22815.456
22815.456
22815.456
22815.456
22815.402
22815.402
7
33
5
18
17
4
31
9
22807.969
22807.600
(1, 3) P
oc
81Br
3
4
22812.697
3
22812.421
c
33
22812.134
22811.794
3
30 c
22806.546
22806.155
22805.748
22805.332
0
4
9
11
22815.277
22815.183
22815.129
22814.964
22814.902
5
10
29
29
28
22804.464
22814.569
25
22814.260
22803.515
22803.064
22802.563
22802.056
22801.537
22801.006
22800.453
22799.893
22799.315
22798.719
22798.125
22797.509
22796.890
22796.249
22795.593
22794.922
22794.253
22793.568
22792.840
22792.129
22791.380
22790.638
22789.878
22789.094
22788.329
22787.508
22786.703
22785.874
22785.044
22784.186
22783.320
22782.448
22781.544
22780.648
22779.699
22778.799
22777.820
22776.892
22775.911
22774.902
22773.919
22772.936
22771.894
22770.858
22769.821
22768.728
22767.678
34
4
10
9
6
2
7
5
8
16
9
9
1
1
1
4
8
18
1
8
6
1
1
9
14
6
2
1
12
8
8
17
6
17
12
21
12
20
11
13
4
33
16
19
33
5
32
6
14
17
22812.697
22812.421
22812.134
22811.794
14
17
22
13
c
c
c
c
c
c
c
c
c
c
c
22810.454
22810.096
22809.696
22809.273
22808.886
22808.478
22808.035
22807.600
1
13
3
28
5
11
6
21
22806.639
22806.155
22805.653
22805.126
22804.617
1
6
7
3
17
22803.515
22802.952
22802.338
22801.758
22801.153
22800.540
22799.893
22799.257
22798.597
22797.903
22797.221
22796.526
14
20
12
3
6
15
3
14
15
4
0
6
c
c
c
0
2
6
29
c
c
c
22813.658
22813.453
22813.183
oc
c
c
c
c
c
c
c
c
c
c
22810.454
22810.096
22809.696
22809.273
22808.886
22808.478
22808.035
22807.600
19
5
22
47
24
9
14
1
22806.639
22806.155
22805.653
22805.126
22804.617
20
15
14
25
4
22803.515
22802.952
22802.338
22801.758
22801.153
22800.540
22799.893
22799.257
22798.597
22797.903
22797.221
22796.526
22795.818
22795.072
22794.353
22793.568
22792.840
22792.049
22791.265
22790.446
22789.640
22788.803
22787.959
22787.109
22786.232
22785.346
22784.453
22783.549
22782.620
22781.683
22780.736
22779.765
22778.799
22777.820
22776.809
22775.788
22774.771
22773.723
22772.674
22771.615
8
2
34
19
15
7
18
7
6
25
20
14
8
27
6
38
1
10
3
16
3
8
7
2
4
6
2
5
0
1
1
7
3
12
3
3
7
1
5
13
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
2001 NRC Canada
Hirao and Bernath
339

J"
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
79Br
22792.129
22791.380
22790.638
22789.878
22789.094
22788.329
22787.508
22786.703
22785.874
22785.044
22784.186
22783.320
22782.448
22781.544
22780.648
22779.699
22778.799
22777.820
22776.892
22775.911
22774.902
22773.919
22772.936
22771.894
22770.858
22769.821
22768.728
22767.678
22766.575
22765.451
22764.358
22763.231
(1, 3) R
oc
12
4
1
2
9
13
9
1
4
6
0
0
7c
6
4c
c
27
c
4
c
30
c
0
c
10
c
36
c
22
c
6
c
13
c
13
c
1
c
31
c
6
c
21
c
43
22 c
21 c
J"
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
79Br
(2, 0) R
oc
24034.396
15
24034.667
24034.795
24034.895
24034.967
24035.013
24035.076
24035.134
24035.134
24035.134
24035.134
24035.076
24035.013
24034.967
24034.895
24034.795
2
7
6
7
28
15
8
9
9
8
15
27
5
8
10
c
c
c
c
c
c
c
c
81Br
22795.818
22795.072
22794.353
22793.568
22792.840
22792.049
22791.265
22790.446
22789.640
22788.803
22787.959
22787.109
22786.232
22785.346
22784.453
22783.549
22782.620
22781.683
22780.736
22779.765
22778.799
22777.820
22776.809
22775.788
22774.771
22773.723
22772.674
22771.615
22770.535
22769.442
22768.325
22767.204
22766.079
22764.914
22763.784
22762.612
22761.433
22760.232
22759.038
22757.814
oc
12
c
8
12
c
20
c
18
6
13
1 c
11
6
6
13
6
3
6
12
6
3
4
5
3
11
1
7
1
7
4
1
1
3
16 c
21 c
17 c
40 c
14
19 c
17 c
23 c
11 c
c
16
81Br
24031.104
24031.240
24031.417
24031.581
24031.665
24031.781
24031.867
24031.923
24032.007
24032.007
24032.007
24032.007
24032.007
24032.007
24031.923
24031.867
24031.781
24031.665
oc
8
24 c
2
32 c
1
14
c
17
6
c
39
c
6
c
11
c
11
c
6
39 c
6
17 c
15
1
79Br
22766.575
22765.451
22764.358
22763.231
22762.041
(1, 3) P
oc
c
19
c
0
c
23
c
27
c
20
22758.579
22757.380
22756.164
22754.939
22753.696
22752.445
25
22
14
11
3
1
22749.913
22748.622
1
4
22744.680
22742.004
22740.637
22739.253
22737.883
22736.474
22735.053
22733.609
22732.158
22730.749
6
3
5
16
10
5
10
20
25
22727.780
22726.275
22724.769
22723.251
4
8
8
7
79Br
24033.826
24033.601
24033.367
24033.105
24032.848
24032.540
24032.247
24031.923
24031.581
24031.240
24030.852
24030.479
24030.056
24029.632
24029.204
24028.726
24028.274
c
c
c
c
(2, 0) P
oc
4
0
4
5
10
10
2
0
3
13
2
14
2
2
11
10
12
81Br
22770.535
22769.442
22768.325
22767.204
22766.079
22764.914
22763.784
22762.612
22761.433
22760.232
22759.038
22757.814
oc
13
12
c
1
c
2
c
5
16 c
12
10 c
14 c
10 c
25 c
22 c
22755.315
22754.036
22752.791
22751.491
22750.172
22748.884
22747.558
22746.235
7
11
17
3
17
8
6
21
22743.482
22742.117
22740.762
22739.353
22737.883
22736.474
22735.053
22733.609
22732.158
22730.655
18
7
26
19
37
18
1
10
24
1
81Br
oc
24030.714
24030.479
24030.255
24029.988
24029.741
24029.472
24029.154
24028.836
24028.496
24028.146
24027.771
24027.385
24026.992
24026.592
24026.145
24025.640
24025.214
4
14
3
18
3
19
2
3
2
1
6
6
3
22
11
42
2
c
c
c
c
c
c
c
2001 NRC Canada
340

J"
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
79Br
24034.667
24034.396
24034.035
24033.826
24033.601
24033.367
24033.105
24032.848
24032.540
24032.247
24031.923
24031.581
24031.240
24030.852
24030.479
24030.056
24029.632
24029.204
24028.726
24028.274
24027.771
24027.260
24026.732
24026.194
24025.640
24025.059
24024.460
24023.858
24023.227
24022.596
24021.933
24021.247
24020.545
24019.833
24019.116
24018.366
24017.593
24016.836
24016.027
24015.206
24014.381
24013.547
24012.670
24011.792
24010.895
24009.997
24009.041
24008.119
24007.139
24006.186
24005.144
24004.154
24003.126
24002.063
24001.006
23999.898
23998.804
23997.708
23996.573
23995.424
(2, 0) R
oc
81Br
1
24031.581
24031.417
c
18
24031.240
24031.104
14
24030.913
9
24030.714
5
24030.479
9
24030.255
1
24029.988
16 c
24029.741
4
24029.472
8
24029.154
7
24028.836
4
24028.496
c
20
24028.146
5
24027.771
c
22
24027.385
6
24026.992
7
24026.592
c
20
24026.145
1
24025.640
c
21
24025.214
11
24024.725
9
24024.230
6
24023.700
10
24023.157
c
16
24022.596
12
24022.041
5
24021.446
14
24020.859
10
24020.232
c
22
24019.595
c
20
24018.946
12
24018.275
5
24017.593
5
24016.889
c
16
24016.168
11
24015.427
0
24014.671
c
22
24013.899
9
24013.121
1
24012.309
6
24011.487
c
18
24010.649
4
24009.808
7
24008.935
7
24008.049
c
22
24007.139
3 c
24006.186
22 c
24005.272
7
24004.331
c
35
24003.354
c
10
24002.370
15 c
24001.372
c
19
24000.341
3
23999.310
11
23998.260
c
14
23997.193
c
10
23996.100
9
23995.011
7
23993.886
6
23992.746
oc
c
34
4
c
22
10
3
6
11
0
16 c
6
22 c
5
7
2
4
2
2
7
c
27
c
15
c
37
7
3
12
1
5
c
14
1
7
10
2
1
7
6
10
9
9
5
3
1
9
1
1
2
10
8
9
3
30 c
7 c
5
2
1
6
5
1
3
6
1
14
8
4
79Br
24027.771
24027.260
24026.732
24026.194
24025.640
24025.059
24024.460
24023.858
24023.227
24022.596
24021.933
24021.247
24020.545
24019.833
24019.116
24018.366
24017.593
24016.836
24016.027
24015.206
24014.381
24013.547
24012.670
24011.792
24010.895
24009.997
24009.041
24008.119
24007.139
24006.186
24005.144
24004.154
24003.126
24002.063
24001.006
23999.898
23998.804
23997.708
23996.573
23995.424
23994.253
23993.076
23991.874
23990.666
23989.426
23988.171
23986.912
23985.606
23984.331
23983.034
23981.680
23980.326
23978.951
23977.577
23976.182
23974.762
23973.329
23971.885
23970.421
23968.925
23967.430
23965.908
(2, 0) P
oc
1
1
4
0
c
5
1
6
3
1
11 c
9c
0
7
8
3c
2
13
c
9
4
13
7
c
5
9
7
7
c
8
c
17
c
8
7
c
21
24 c
1c
4c
11
3
29 c
25 c
5
8
8
13
8
11
3
11
17 c
10
33 c
8
10 c
11
15
23 c
15 c
10
14
14
10
7
c
21
c
16
23 c
81Br
24024.725
24024.230
24023.700
24023.157
24022.596
24022.041
24021.446
24020.859
24020.232
24019.595
24018.946
24018.275
24017.593
24016.889
24016.168
24015.427
24014.671
24013.899
24013.121
24012.309
24011.487
24010.649
24009.808
24008.935
24008.049
24007.139
24006.186
24005.272
24004.331
24003.354
24002.370
24001.372
24000.341
23999.310
23998.260
23997.193
23996.100
23995.011
23993.886
23992.746
23991.589
23990.421
23989.242
23988.036
23986.815
23985.606
23984.331
23983.034
23981.778
23980.471
23979.160
23977.826
23976.463
23975.104
23973.706
23972.312
23970.901
23969.463
23968.020
23966.548
23965.071
23963.576
oc
2
6
5
11
c
19
4
13
4
4
5
0
1
3
3
2
2
4
7
2
6
9
9
3
0
1
5
c
38
c
15
3
10
7
2
13
7
5
2
9
6
0
4
9
7
0
4
6
20 c
3
32 c
3
7
1
0
12
4
18 c
11
5
9
3
8
3
2
2001 NRC Canada
Hirao and Bernath
341

J"
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
79Br
(2, 1) R
oc
23721.496
23721.640
25
15
23721.885
23722.019
23722.110
1
26
27
23722.248
23722.248
34
8
23722.248
23722.248
23722.110
23722.019
23721.885
23721.640
23721.496
23721.366
23721.115
23720.508
23720.283
23720.029
23719.743
23719.464
23717.711
23717.296
23716.885
23716.452
23716.026
23715.622
23715.137
23714.664
3
20
23
33
19
32
19
34
23710.177
23709.528
23707.516
23706.832
23706.102
23704.615
10
6
25
10
12
23
25
8
13
1
20
35
23720.362
23720.508
23720.606
12
37
30
23720.795
23720.857
23720.857
23720.857
23720.857
23720.857
23720.795
1
20
6
15
9
13
11
79Br
(2, 1) P
oc
81Br
oc
c
c
c
23720.190
23719.940
18
2
23719.080
23718.838
20
27
23719.338
23719.080
23718.704
22
34
10
23718.010
37
23718.010
23717.639
23717.255
23716.822
23716.383
23715.922
6
14
25
3
8
26
23716.986
23715.448
23715.049
11
13
23715.049
23714.502
35
20
23712.146
23
23710.558
23709.977
37
37
23708.731
23708.114
23707.439
0
12
19
23706.102
20
23703.266
23700.145
23699.345
1
17
23696.780
23695.911
1
13
23693.152
23688.272
23687.246
23686.214
23685.172
23684.081
23683.023
23681.888
10
13
7
5
17
11
22
23679.659
23678.526
1
14
23718.453
23713.083
23712.542
3
20
29
22
39
oc
15
24
16
10
28
41
81Br
c
c
23720.606
23720.508
23720.362
9
13
15
23720.088
23719.940
23719.743
23719.534
23719.338
7
10
6
18
2
c
c
c
c
c
c
c
c
c
c
c
c
c
23712.421
24
23711.217
23710.649
21
14
c
c
c
c
c
c
c
c
23718.318
23718.010
23717.711
23715.922
23715.539
23715.137
23714.664
12
28
19
30
10
7
31
23713.786
23712.784
13
23711.757
23711.217
23710.649
12
23706.942
23706.271
23705.609
23704.867
23704.169
23703.445
23702.678
23701.913
23701.128
2
1
25
13
9
20
4
6
5
23
23705.983
20
23704.508
23
23702.134
13
23700.503
23698.802
23697.048
23696.103
23695.216
23694.275
23693.348
23692.372
23691.396
7
31
5
2
30
24
34
23689.347
23688.272
23687.246
23686.214
6
35
11
22
23684.014
23681.771
23680.631
23679.497
2
6
33
4
10
3
23708.230
23707.355
c
c
23708.731
c
c
c
2001 NRC Canada
342

J"
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
79Br
(2, 1) R
oc
23721.496
23721.640
25
15
23721.885
23722.019
23722.110
1
26
27
23722.248
23722.248
34
8
23722.248
23722.248
23722.110
23722.019
23721.885
23721.640
23721.496
23721.366
23721.115
23720.508
23720.283
23720.029
23719.743
23719.464
23717.711
23717.296
23716.885
23716.452
23716.026
23715.622
23715.137
23714.664
3
20
23
33
19
32
19
34
23710.177
23709.528
23707.516
23706.832
23706.102
23704.615
10
6
25
10
12
23
25
8
13
1
20
35
23720.362
23720.508
23720.606
12
37
30
23720.795
23720.857
23720.857
23720.857
23720.857
23720.857
23720.795
1
20
6
15
9
13
11
79Br
(2, 1) P
oc
81Br
oc
c
c
c
23720.190
23719.940
18
2
23719.080
23718.838
20
27
23719.338
23719.080
23718.704
22
34
10
23718.010
37
23718.010
23717.639
23717.255
23716.822
23716.383
23715.922
6
14
25
3
8
26
23716.986
23715.448
23715.049
11
13
23715.049
23714.502
35
20
23712.146
23
23710.558
23709.977
37
37
23708.731
23708.114
23707.439
0
12
19
23706.102
20
23703.266
23700.145
23699.345
1
17
23696.780
23695.911
1
13
23693.152
23688.272
23687.246
23686.214
23685.172
23684.081
23683.023
23681.888
10
13
7
5
17
11
22
23679.659
23678.526
1
14
23718.453
23713.083
23712.542
3
20
29
22
39
oc
15
24
16
10
28
41
81Br
c
c
23720.606
23720.508
23720.362
9
13
15
23720.088
23719.940
23719.743
23719.534
23719.338
7
10
6
18
2
c
c
c
c
c
c
c
c
c
c
c
c
c
23712.421
24
23711.217
23710.649
21
14
c
c
c
c
c
c
c
c
23718.318
23718.010
23717.711
23715.922
23715.539
23715.137
23714.664
12
28
19
30
10
7
31
23713.786
23712.784
13
23711.757
23711.217
23710.649
12
23706.942
23706.271
23705.609
23704.867
23704.169
23703.445
23702.678
23701.913
23701.128
2
1
25
13
9
20
4
6
5
23
23705.983
20
23704.508
23
23702.134
13
23700.503
23698.802
23697.048
23696.103
23695.216
23694.275
23693.348
23692.372
23691.396
7
31
5
2
30
24
34
23689.347
23688.272
23687.246
23686.214
6
35
11
22
23684.014
23681.771
23680.631
23679.497
2
6
33
4
10
3
23708.230
23707.355
c
c
23708.731
c
c
c
2001 NRC Canada
Hirao and Bernath
343
Table A2. (concluded).

(2, 1) R
J"
79Br
oc
81Br
62
23700.338
63
23700.681
12
23699.486
64
23699.845
8
65
23699.004
6
c
66
23698.154
26
23696.981
67
23697.226
15
23696.103
68
23695.216
69
23695.406
13
23694.275
70
23694.509
26 c
23693.348
71
23693.538
5
72
23692.541
26 c
23691.476
73
23691.577
7
23690.495
74
23689.535
75
76
23688.549
8
23687.497
77
23687.497
2
78
23686.438
4
79
23684.368
80
23684.276
14
81
23683.143
11
82
23682.014
15
83
84
23679.728
3
23678.764
85
23677.624
86
23677.372
2
87
23676.159
7
88
23674.955
9
23674.045
89
c
90
23672.419
39
23671.576
c
91
23671.231
40
92
23669.056
93
23667.786
c
94
23667.267
28
95
23665.154
96
23664.595
24 c
23663.807
97
23663.239
18 c
98
23661.141
99
100
101
23656.921
102
103
23654.760
3
23654.056
104
c
105
23651.775
23
106
107
23648.141
108
23647.243
1
c
109
23645.672
20
110
111
23642.566
20 c
23641.982
112
113
23638.787
114
23637.184
115
116
117
23632.274
118
23630.601
a
1
All observed line positions are in cm units.
b
Relative to last digits of observed minus calculated values.
c
Not included in this fit.
oc
13
c
24
8
8
14
18
20
4
5
22
23675.928
23674.687
23673.448
23672.141
c
c
23669.597
23668.315
23666.943
23665.640
23664.320
(2, 1) P
oc
81Br
c
24
23677.372
23676.159
c
41
23674.955
c
24
23673.780
c
26
23672.548
c
25
23670.051
10
23668.776
10
23667.440
c
44
23666.158
12
23664.873
19 c
23663.529
14
12
34
12
24
15
23660.156
23660.762
23659.389
34
24
23654.400
23652.950
9
18
23655.174
23653.712
23652.297
2
16
30
23645.319
23643.743
23642.156
23640.572
23638.949
23637.286
2
5
6
12
6
25
23646.273
23644.722
23643.199
23641.601
23640.005
23638.390
23636.774
1
11
19
11
23
38
39
23633.530
10
11
5
3
1
16
oc
c
24
10
c
19
c
16
11
c
c
7
28
79Br
23678.311
c
c
c
c
c
1
15
30
8
7
2
18
9
5
5
2001 NRC Canada

T. Hirao and P.F. Bernath - Low-Lying Electronic States of CuBr

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T. Hirao and P.F. Bernath - Low-Lying Electronic States of CuBr

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299

Low-lying electronic states of CuBr

Abstract: The A1 X 1 6 + and B 1 6 + X 1 6 + transitions of copper monobromide, CuBr,

Corresponding author (e-mail: bernath@Uwaterloo.ca).

Can. J. Phys. 79: 299343 (2001)

2001 NRC Canada

Can. J. Phys. Vol. 79, 2001

Hirao and Bernath

Fig. 1. Overview spectra of CuBr A1 X 1 6 + and B 1 6 + X 1 6 + systems.

Can. J. Phys. Vol. 79, 2001

Fig. 2. A portion of the A1 X 1 6 + 00 band of CuBr.

Fig. 3. A portion of the B 1 6 + X 1 6 + 00 band of CuBr.

Hirao and Bernath

are added to expression (1)

Can. J. Phys. Vol. 79, 2001

Table 3. Effective Dunham constants for 63 Cu81 Br.a

Hirao and Bernath

Table 5. FranckCondon factors for the BX system.

The numbers in parentheses are the FranckCondon factors of

2001 NRC Canada

Can. J. Phys. Vol. 79, 2001

Hirao and Bernath

J. Hoeft, F.J. Lovas, E. Tiemann, and T. Trring. Z. Naturforsch. A25, 35 (1970).

Can. J. Phys. Vol. 79, 2001

R. Ritschl. Z. Phys. 42, 172 (1927).

2001 NRC Canada

Table A1. Observed line positions of the A1X 1+ system of CuBr.

Hirao and Bernath

2001 NRC Canada

Table A1. (continued).

2001 NRC Canada

Table A1. (continued).

Hirao and Bernath

2001 NRC Canada

Table A1. (continued).

2001 NRC Canada

Table A1. (continued).

Hirao and Bernath

2001 NRC Canada

Table A1. (continued).

2001 NRC Canada

Table A1. (continued).

Hirao and Bernath

2001 NRC Canada

Table A1. (continued).

2001 NRC Canada

Table A1. (continued).

Hirao and Bernath

2001 NRC Canada

Table A1. (continued).

2001 NRC Canada

Table A1. (continued).

Hirao and Bernath

2001 NRC Canada

Table A1. (continued).

2001 NRC Canada

Table A1. (continued).

Hirao and Bernath

2001 NRC Canada

Table A1. (continued).

2001 NRC Canada

Table A1. (continued).