atlas of the l2 spectrum from 19 000 to 18 000 cm-i - nist · atlas of the l2 spectrum from 19 000...

56
JOURNAL OF RESEARCH of the National Bureau of Standards —A. Physics and Chemistry Vol. 81 A, No. 1, January-February 1977 Atlas of the l 2 Spectrum from 19 000 to 18 000 cm -i * J. D. Simmons and J. T. Hougen Institute for Basic Standards, National Bureau of Standards, Washington, D. C. 20234 (December 27, 1976) A line identification band atlas is presented for a 1000 cm" 1 segment, from 19 000 to 18 000 cm" 1 , of the molecular iodine absorption spectrum. Each page of the atlas covers a 20 cm" 1 region of the spectrum and contains a CALCOMP produced photodensitometer trace of the spectrum together with accompanying tabular identification data. The tabular data includes: line identification numbers, observed wavenumbers, calculated wavenumbers, and rotational and vibrational assignments. Key words: High-resolution spectrum; iodine spectrum; line identification atlas; rovibronic assignments; spectral analysis; visible absorption spectroscopy. 1. Introduction The present article represents the first part of a projected band atlas of the B 3 II 0 H- M X 1 ^ visible absorption spec- trum of the iodine molecule. The region from 19 000 to 18 000 cm" 1 (from 5261.7 to 5554.0 A) was chosen for initial study because it exhibits neither the complications of many close-lying upper state vibrational levels found at higher wavenumbers nor the complications of strong hot bands found at lower wavenumbers. The visible spectrum of I2 has been extensively studied in the past, of course, and it is not our purpose here to trace the numerous developments in the understanding of that spec- trum. Suffice it to say that for the present atlas we have relied heavily on the paper by Wei and Tellinghuisen [I]. 1 Mea- surements here for J < 100 agree with the spectrum calcu- lated from the constants of [1] to within ±0.03 cm" 1 in most cases and ±0.01 cm" 1 in many cases. The vibrational num- bering adopted by Wei and Tellinghuisen and used also in the present atlas is that determined by Steinfeld, Zare, Jones, Lesk, and Klemperer [2] and confirmed by Brown and James [3]. We have very recently learned, through a preprint from Gerstenkorn, Luc, and Perrin [4] on the 5350 A band of iodine and through subsequent correspondence [5], that a study similar to ours is being carried out at the Laboratoire Aime Cotton in France. The French investigators have mea- sured the iodine visible spectrum interferometrically, obtain- ing significantly better absolute measurement accuracy, though no appreciable difference in spectral resolution, since the latter is limited in both studies by the molecular line widths. We have received permission [5] to reproduce here (in fig. 1) their display of differences between our measure- ments and theirs. The actual band atlas, presented below in figure 2, con- sists of 50 pages, each containing a 20 cm" 1 portion of the spectrum, augmented by a 0.5 cm J overlap at each end. The figure at the top of each page is a CALCOMP display of a photodensitometer trace of the original photographic record of the spectrum. The tabular material below each spectral trace contains a line identification number, a measured wavenum- ber, the last four digits of a calculated wavenumber, a rotational assignment, and a vibrational assignment. Mea- sured wavenumbers are presented in the atlas in decreasing numerical order, corresponding to the established optical spectroscopy prescription of "red to the right." More detailed comments on the atlas are presented in section 3 below. 2. Apparatus 2 Each I 2 band for which absorption lines fall in the region of the atlas has been photographed, measured and assigned in its entirety. Therefore, the bands actually analyzed extend from about 19 500 to 17 700 cm" 1 . The spectral plates were photographed in the 10th, 11th, or 12th order of a 3.34 m Czerny-Turner spectrograph con- structed at the National Bureau of Standards by Dr. J. Reader [6, 7], The spectrograph is equipped with a 300 line/mm, 220 mm long grating blazed at 6 /Am, and is capable of delivering close [8] to its theoretical resolving power (726 000 in 11th order). Unfortunately, the Doppler width of I 2 (0.014 cm" 1 FWHM at 18 500 cm" 1 and 25 °C), the quadrupole hyperfine pattern width (~0.030 cm" 1 ), and the instrumental resolution of the photodensitometer prevent this large resolving power from being fully utilized. The measured I 2 linewidths (FWHM) in the spectra presented are of the order of 0.055 cm" 1 , corresponding to an effective resolving power of approximately 350 000. Exposure times with a high-pressure xenon source lamp and Kodak V-F plates varied from 5 to 20 min. Iodine pressure in the room- temperature, single-pass, 1-m absorption cell was controlled * Partially supported by the NBS Laser Chemistry Program. 1 Figures in brackets indicate the literature references at the end of this paper. 2 In order to adequately describe materials and experimental procedures, it was occasionally necessary to identify commercial products by manufacturer's name or label. In no instance does such identification imply endorsement by the National Bureau of Standards, nor does it imply that the particular product or equipment is the best available for the purpose. 25

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JOURNAL OF RESEARCH of the National Bureau of Standards —A. Physics and ChemistryVol. 81 A, No. 1, January-February 1977

Atlas of the l2 Spectrum from 19 000 to 18 000 cm -i *

J. D. Simmons and J. T. Hougen

Institute for Basic Standards, National Bureau of Standards, Washington, D. C. 20234

(December 27, 1976)

A line identification band atlas is presented for a 1000 cm"1 segment, from 19 000 to 18 000 cm"1, of themolecular iodine absorption spectrum. Each page of the atlas covers a 20 cm"1 region of the spectrum and containsa CALCOMP produced photodensitometer trace of the spectrum together with accompanying tabular identificationdata. The tabular data includes: line identification numbers, observed wavenumbers, calculated wavenumbers, androtational and vibrational assignments.

Key words: High-resolution spectrum; iodine spectrum; line identification atlas; rovibronic assignments; spectralanalysis; visible absorption spectroscopy.

1. Introduction

The present article represents the first part of a projectedband atlas of the B3II0H-M — X 1 ^ visible absorption spec-trum of the iodine molecule. The region from 19 000 to18 000 cm"1 (from 5261.7 to 5554.0 A) was chosen forinitial study because it exhibits neither the complications ofmany close-lying upper state vibrational levels found athigher wavenumbers nor the complications of strong hotbands found at lower wavenumbers.

The visible spectrum of I2 has been extensively studied inthe past, of course, and it is not our purpose here to trace thenumerous developments in the understanding of that spec-trum. Suffice it to say that for the present atlas we have reliedheavily on the paper by Wei and Tellinghuisen [I].1 Mea-surements here for J < 100 agree with the spectrum calcu-lated from the constants of [1] to within ±0.03 cm"1 in mostcases and ±0.01 cm"1 in many cases. The vibrational num-bering adopted by Wei and Tellinghuisen and used also inthe present atlas is that determined by Steinfeld, Zare, Jones,Lesk, and Klemperer [2] and confirmed by Brown and James[3].

We have very recently learned, through a preprint fromGerstenkorn, Luc, and Perrin [4] on the 5350 A band ofiodine and through subsequent correspondence [5], that astudy similar to ours is being carried out at the LaboratoireAime Cotton in France. The French investigators have mea-sured the iodine visible spectrum interferometrically, obtain-ing significantly better absolute measurement accuracy,though no appreciable difference in spectral resolution, sincethe latter is limited in both studies by the molecular linewidths. We have received permission [5] to reproduce here(in fig. 1) their display of differences between our measure-ments and theirs.

The actual band atlas, presented below in figure 2, con-sists of 50 pages, each containing a 20 cm"1 portion of the

spectrum, augmented by a 0.5 cm J overlap at each end. Thefigure at the top of each page is a CALCOMP display of aphotodensitometer trace of the original photographic record ofthe spectrum. The tabular material below each spectral tracecontains a line identification number, a measured wavenum-ber, the last four digits of a calculated wavenumber, arotational assignment, and a vibrational assignment. Mea-sured wavenumbers are presented in the atlas in decreasingnumerical order, corresponding to the established opticalspectroscopy prescription of "red to the right." More detailedcomments on the atlas are presented in section 3 below.

2. Apparatus2

Each I2 band for which absorption lines fall in the region ofthe atlas has been photographed, measured and assigned inits entirety. Therefore, the bands actually analyzed extendfrom about 19 500 to 17 700 cm"1.

The spectral plates were photographed in the 10th, 11th,or 12th order of a 3.34 m Czerny-Turner spectrograph con-structed at the National Bureau of Standards by Dr. J. Reader[6, 7], The spectrograph is equipped with a 300 line/mm,220 mm long grating blazed at 6 /Am, and is capable ofdelivering close [8] to its theoretical resolving power(726 000 in 11th order). Unfortunately, the Doppler width ofI2 (0.014 cm"1 FWHM at 18 500 cm"1 and 25 °C), thequadrupole hyperfine pattern width (~0.030 cm"1), and theinstrumental resolution of the photodensitometer prevent thislarge resolving power from being fully utilized. The measuredI2 linewidths (FWHM) in the spectra presented are of theorder of 0.055 cm"1, corresponding to an effective resolvingpower of approximately 350 000. Exposure times with ahigh-pressure xenon source lamp and Kodak V-F platesvaried from 5 to 20 min. Iodine pressure in the room-temperature, single-pass, 1-m absorption cell was controlled

* Partially supported by the NBS Laser Chemistry Program.1 Figures in brackets indicate the literature references at the end of this paper.

2 In order to adequately describe materials and experimental procedures, it was occasionallynecessary to identify commercial products by manufacturer's name or label. In no instance does suchidentification imply endorsement by the National Bureau of Standards, nor does it imply that theparticular product or equipment is the best available for the purpose.

25

16

15

13

12

11

10

9

8

7

6

5

3

2

1

cr -crNBS A.COTTON

1(T3cmH

18000100 200 300

18500*» 800 900-.:"7- "•.*' •^

. 19000 cm"1

FIGURE 1. A correction curve for the wavenumbers in this atlas kindlysupplied by Gerstenhorn and Luc [5], who plot differences between ourgrating measurements of the I2 absorption spectrum (cr^BS) and theirinterferometric measurements (O"A.COTTONJ-

by a sidearm cooled to temperatures in the range — 11 °C to+ 6 °C. Iodine sidearm temperatures and exposure times areindicated in table 1 for each of the five plates used in thespectral illustrations below.

TABLE 1. Iodine sidearm temperatures and exposure times for the spectralfigures in this atlas

Spectral region

19 000-18 92018 920-18 64018 640-18 38018 380-18 18018 180-18 000

T°C

- 6- 6- 6- 1 1- 6

Exposure time

5 minutes7 minutes5 minutes6.5 minutes6.5 minutes

The I2 spectrum was measured against thorium emissionline standards taken from the extensive catalog of R. Zalubus[9, 10]. Many of the stronger lines have been interferometri-cally measured, and thorium exposure times were kept shortenough to eliminate most of the weaker "grating" lines, butlong enough to insure from 20 to 40 standards across a plateencompassing 250 cm"1. Unfortunately, exposure timescould not be reduced enough to eliminate all problems withself-reversal, which the computer software described belowwas not equipped to handle. The interferometrically mea-sured thorium lines are thought to be reliable to ±0.002cm"1 [10], but our third order polynomial fits across one plate(as well as the somewhat higher order fits also examined) gave

standard deviations near 0.0045 cm l. We believe our largestandard deviation arises because a few of the thorium emis-sion linewidths (FWHM) approached 0.2 cm"1, or about fourtimes the I2 absorption linewidths. Our inability to achievebetter polynomial fits to the thorium standards represents theprincipal limitation to obtaining more accurate measurementsof the present I2 spectrum. Based on these considerations, weestimated the I2 measured wavenumbers to have an absoluteaccuracy of ±0.015 cm"1. This estimate was confirmed justprior to publication by the more accurate measurements ofGerstenkorn, Luc, and Perrin [4, 5], as shown in figure 1.

The photographic plates were measured on a Grant com-parator, which automatically digitally recorded on magnetictape photodensitometer readings at equidistant 3 /xm inter-vals (about 1/20 of the I2 FWHM) for both the unknown (I2)and standard (thorium) channels. The photodensitometer slitwidth was equivalent to approximately 9 /im on the photo-graphic plates. The magnetic tape record of the photographicplate density was then reduced to a sequentially numbered I2line list in cm"1 and a CALCOMP spectral trace, usingslightly modified versions of computer programs originallywritten by Dr. A. Maki [11] for reducing infrared data.Subroutines in his programs automatically locate the centersof absorption or emission lines in the two channels, fit theunknown channel against the standard channel, and invokevarious criteria (excessive breadth, weakness, etc.) to elimi-nate undesirable lines from further consideration.

26

3. Detailed Remarks on the Atlas

To the extent practical, spectra are reproduced in figure 2with a wavenumber scale equal to 1 cm"1 per cm.

The intensity scale is rather arbitrary. Iodine pressuresand exposure times were chosen to minimize saturation of thestrongest lines and maximize contrast between bands origi-nating in the v" — 0 level and bands originating in v" = 1 and2. Nonetheless, an intensity alternation approximating thetheoretical value of 7:5 for oddieven values of J is clearlyvisible in unblended portions of both the strong and weakbranches.

Unfortunately, it proved impossible to photograph anddevelop an entire set of plates without encountering somesmall pinholes and/or scratches in the emulsion, which ulti-mately show up as apparent absorption lines in the CAL-COMP spectrum. It was decided to present as large a portionof spectrum as possible from a single plate in order topreserve as much relative intensity information as possible,rather than to present only blemish-free regions from a largenumber of plates. We have thus attempted to locate as manyof these false absorption lines as possible, by examining eachplate for blemishes and by comparing CALCOMP spectraobtained from different plates. We have indicated the "cor-rect" spectrum in the region of false absorption lines thusidentified by hand-drawn dotted lines.

The columns headed LINE contain the artitrary sequentialline identification number for "ticked" lines in the spectralfigures, or contain a blank for "unticked" lines.

The columns headed OBS CM-1 contain measured wave-numbers for each line. Measurements for ticked lines wereobtained by processing the spectrum actually shown in thefigure. Measurements for unticked lines were obtained fromother plates, taken at significantly higher iodine pressures toenhance the weaker lines without concern for the attendantsaturation and broadening of the stronger lines. Occasionalasterisk entries in this column indicate a line clearly visiblein the spectral figure lor which an assignment and calculatedvalue, but no measurement, is available.

Each column headed CALC contains the last four digits ofcalculated wavenumbers approximately equal to the mea-sured wavenumbers in the OBS column immediately to theleft. If more than one transition is calculated to lie within thecontour of a given measured line in the spectral figure, theseseveral calculated values are given in order of decreasingwavenumber immediately to the right and below the mea-sured line in question. For each branch of the (v1 — 0) and(V — 1) bands, no calculated transitions are presentedhaving J values above the last observed line in the branch (asdiscussed below). For each branch of the (v* ~ 2) bands andthe (31 — 1) band, no calculated transitions are presentedhaving J values below the first observed line or above the lastobserved line in the branch. Occasional asterisk entries inthis column indicate false absorption lines introduced by theemulsion blemishes described above.

The columns headed ASSIGNMENT contain the rotationalbranch (P,R) and/ assignment followed by the vibrational (vr

— v") assignment of the calculated wavenumber immediatelyto the left, or contain the word ARTIFACT to indicate a falseabsorption line.

In almost all cases, the contour of a given spectral line canbe understood by taking into account the one or more calcu-

lated values associated with it, together with intensity infor-mation obtained from examination of nearby unblended linesin the same branch(es).

Calculated wavenumbers presented in the CALC columnswere obtained from least squares fits of unblended P and Rbranch lines for each individual (vf — v") band. Unblendedlines were chosen by visual inspection, taking into considera-tion the intensity alternation and overall intensity variationexpected within a given branch, and the essentially constantlinewidth expected in each spectral region. For each branchof each band it proved impossible to find unblended linesbelow a certain minimum / value, and impossible to findlines at all above a certain maximum / value. Thus, for anybranch, three types of calculated values can be defined: thoseinterpolated between the minimum and maximum / valuesused in the fit, those extrapolated to low / beyond lines usedin the fit, and those extrapolated to high / beyond lines usedin the fit. In no cases are calculated values corresponding tohigh/ extrapolations presented in this atlas. For (v' — 0) andmost (vf — 1) bands, all calculated values corresponding tolow J extrapolations are presented. For the much weaker (v'— 2) bands and the (31 — 1) band no calculated valuescorresponding to low / extrapolations are presented.

Least squares fits of the unblended lines in each individual(vf — v") band were carried out by varying the parameters v0,B\ B", D\ D", H\ //", and sometimes!' in equations of theform

R(J)

= + B'AJ + 1)1/ + 2) - D'AJ + DV + 2)2

- W V / U + I)3 + vo(v',v")

P(J)

= + B'vJU - 1) - D'vFU - I)2

+ H'vPU - I)3 + LVA/ " I)4

- B"VJ{J + 1) + D'vPU + I)2

- W V / U + I)3 + vo(v',v").Values of the parameters and standard deviations obtainedfrom these band-by-band least squares fits, and of /mm, /maxand the number of lines in each branch included in the fit,are given in table 2. The reader is emphatically warned thatthese band-by-band parameters must not be treated as truemolecular constants. In particular, they should not be used toextrapolate branches beyond / values used in the fits (thoughwith some misgivings we ourselves have violated this preceptin presenting calculated values for all low/ lines in the (vf —0) and (vf — 1) heads). Neither should the band-by-bandparameters be further reduced to obtain structural informa-tion for the I2 molecule. These parameters are useful, how-ever, and have been used in this atlas, to calculate interpo-lated line positions within a branch; they are presented intable 2 with sufficient precision to permit such back-calcula-27

I I

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I19000 18999 18998 18997 18996 18995 18994 18993 18992 18991

18990 18989 18988 18987 18986 18985 18984

WRVENUMBERS

(CM"

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1011

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1016

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9.82

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9.48

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8.07

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>.182

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1.781

J.699

J.490

J.435

1.080

J.047

1899

7.90

2 7.

900

1899

7.79

3 7.

799

1899

7.63

5 7.

640

1899

7!15

2 ''.234

M52

1899

6.81

3 6.813

1899

6.08

2 6.

082

ASSI

GNME

NTR1

29R1

51R1

19P1

27P 36

P 69

R161

R 39

R107

P117

R145

R 92

P 37

R 72

R 40

P105

P155

P136

R138

P 90

P 38

P 70

R 41

R 73

(40-

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3-0)

(39-

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(35-

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(35-

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(35-

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1025

1026

1027

1028

1029

1030

1031

1032

1033

1034

1035

1036

1037

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CALC

1899

5.94

5 5.

946

1899

5.67

9 5.

687

5.68

318

995.

607

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1899

5.50

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5.12

718

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4.78

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4.62

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4.34

718

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285

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4.18

218

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985

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3.69

718

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273

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3.19

618

992.

930

1899

2.81

718

992.

635

5.612

5.608

5.513

5.499

5.487

5.413

5.130

• .80

2• •78

4• .62

6• .34

9+ .2

854.181

5.983

5.929

5.696

5.273

5.190

2.817

2.641

2.624

ASSI

GNME

NTP 39

P160

R157

R120

R 93

R 42

R130

R108

P150

P128

P118

P 71

P 40

P106

P 91

R 43

P144

R152

R 74

P 41

R146

R 44

P137

R162

(35-

0)(4

5-0)

(44-

0)(3

9-0)

(37-

0)(3

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(40-

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1055

1056

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1899

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1899

2.38

218

991.

689

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1.75

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118

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348

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518

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613

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418

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9.59

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408

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9.31

9

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9.02

418

988.

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8.82

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5

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12.

464

2.38

31.

889

1.75

51.

540

1.421

1.350

1.27

61.

149

0.75

40.

614

0.54

40.

472

0.39

69.

993

9.94

8

9.41

79.

320

9.278

9.02

48.

939

8.82

28.

532

8.37

6

ASSI

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NTR 94

R139

P 72

P 42

R109

R 45

R121

R 75

P 92

R131

P107

P119

P 43

P129

R 46

P 73

P151

R 95

R158

P 44

P161

R 76

R 47

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(37-

0)(4

1-0)

(36-

0)(3

5-0)

(38-

0)

(35-

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9-0)

(36-

0)(3

7-0)

(40-

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(39-

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(44-

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5-0)

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0)(3

6-0)

(35-

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2-0)

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1057

1058

1059

1060

1061

1062

1063

1064

1065

1066

1067

1068

1069

1070

1071

1072

1073

OBS CM-1

1898

7.98

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1898

7.90

318

987.

543

1898

7.48

018

987.

242

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7.04

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246

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965.

617

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5.61

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964.

976

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4.77

218

984.

485

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4.26

818

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182

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3.95

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7.98

67.

979

7.89

77.

556

7.54

37.

480

7.44

17.

246

7.05

07.

039

6.84

4

6.33

56.

249

6.12

36.

030

5.96

95.

820

5.62

25.

514

5.13

24.

978

4.77

44.

485

4.18

13.

956

ASSI

GNME

NTR1

10P 93

R153

R147

P 45

P 74

P138

R140

R122

R 48

P108

R 77

P120

R 96

P 46

R132

R163

P130

R 49

P157

P 75

P 94

P 47

Rill

R 50

(38-

0)(3

7-0)

(43-

0)(4

2-0)

(35-

0)(3

6—0)

(41-

0)(4

1-0)

(39-

0)(3

5-0)

(38-

0)

(36-

0)(3

9-0)

(37-

0)(3

5-0)

(40-

0)(4

5-0)

(40-

0)(3

5-0)

(44-

0)(3

6-0)

(37-

0)(3

5-0)

(38-

0)(3

5-0)

LINE

1074

1075

1076

1077

1078

1079

1080

1081

1082

1083

1084

1085

1086

1067

1088

1089

OBS CM-1

CALC

1898

3.81

4 3.814

1898

3.37

3 3.

376

1898

3.15

518

983.

035

3.03

618

982.

900

2 i 218

962.

711

2 218

982.

443

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366

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198

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1897

9.87

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1897

9.64

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.986

.915

.878

.819

.534

.298

.260

.144

).8O9

.745

.340

>.875

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in CO CO CO CO co CO coco ao OO CO CO CO co CO co CO eo CO CO co CO eo 00 00 co COco co 03 co co co co coco co co coco co cocoas co co co eo co co co co co co co

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L8899,

L8899,

L8899.

L8899,

L8898.

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02

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02

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£0

2

.792

L8898.

207 1

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L8898,

L8898.

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.387

L8898.

210 1

,191

L8898.

211 1

696'

L8897,

212 )

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L8897,

213 1

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L8897,

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33

l\

CD CL_

(HCD CODOCE

_L_L

_L_L

_L_L

_L_L

18880 18879 18878 18877 18876 18875 18874

18873 18872 18871 18870 18869 18868

HRVENUMBERS

(CM"

1)18867 18866 18865 18864 18863 18862 18861 18860

00

LINE

308

309

310

311

312

313

314

315

316

317

318

319

320

OBS

CM-1

16880.233

18880.088

18879.932

18879.786

18879.432

18879.318

18879.145

18878.986

18878.478

18878.259

18878.026

18877.857

18877.467

18877.025

18876.875

18876.709

18876.484

CALC

0.233

0.141

0.095

0.080

0.036

9.928

9.785

9.145

8.987

8.526

8.478

8.258

8.027

7.985

7.863

7.850

7.849

7.468

7.026

7.006

6.877

6.858

6.708

6.482

ASSIGNMENT

P 33

R 73

R 95

R 36

R159

P163

P109

P 34

R 37

R165

P 71

P 93

P 35

R125

R 38

R112

R 74

R145

R 96

R136

P 36

P143

R 39

P123

(33-0)

(34-0)

(35-0)

(33-0)

(41-0)

(42-0)

(36-0)

(33-0)

(33-0)

(42-0)

(34-0)

(35-0)

(33-0)

(37-0)

(33-0)

(36-0)

(34-0)

(39-0)

(35-0)

(38-0)

(33-0)

(39-0)

(33-0)

(37-0)

LINE

321

322

323

324

325

326

327

328

329

330

331

332

333

334

335

336

337

338

OBS

CM-1

18876.365

18876.167

18876.095

18675.893

18875.696

18875.524

18875.177

18874.638

18874.485

18874.306

18874.130

18873.927

18873.823

18873.716

18873.479

18873.243

18873.170

18873.058

18872.857

18872.542

18872.363

CALC

6.166

6.113

6.102

6.091

5.896

5.697

5.525

5.522

5.175

4.640

4.486

4.306

4.129

3.963

3.924

3.822

3.715

3.477

3.244

3.169

3.058

2.362

ASSIGNMENT

P 72

R153

P151

PUO

P134

P 37

R 75

R 40

P 94

P158

P 38

R 41

R113

R160

R 97

P 73

R126

P164

P 39

R 76

R 42

Pill

(34-0)

(40-0)

(40-0)

(36-0)

(38-0)

(33-0)

(34-0)

(33-0)

(35-0)

(41-0)

(33-0)

(33-0)

(36-0)

(41-0)

(35-0)

(34-0)

(37-0)

(42-0)

(33-0)

(34-0)

(33-0)

(36-0)

LINE

339

340

341

342

343

344

345

346

347

348

349

350

351

352

353

354

355

356

357

OBS

CM-1

18872.221

t t

CALC

2.230

2.229

2.211

18872.062

2.059

2.037

18871.971

18871.780

18871.632

18871.447

18871.124

18871.060

18870.785

18870.667

18870.470

18870.374

18869.962

18869.841

18869.411

18869.333

18869.210

18869.131

18869.039

18868.908

L.971

L.780

L.633

L.446

L.124

3.789

3.781

3.667

3.470

3.437

3.427

3.373

9.409

9.332

9.130

9.038

5.909

ASSIGNMENT

R146

R137

P124

P 95

R166

P 40

R 43

P144

P 74

P135

R 98

R 77

P 41

R 44

P152

R154

R114

R127

P 42

R 45

P 75

P 96

(39-0)

(38-0)

(37-0)

(35-0)

(42-0)

(33-0)

(33-0)

(39-0)

(34-0)

(38-0)

(35-0)

(34-0)

(33-0)

(33-0)

(40-0)

(40-0)

(36-0)

(37-0)

(33-0)

(33-0)

(34-0)

(35-0)

LINE

358

359

360

361

363

364

365

366

367

368

369

370

371

372

373

OBS

CM-1

18868.598

18868.361

18867.967

18867.912

18867.759

1OOD'*uCv

18867.408

18867.319

18866.956

18866.583

18866.357

18865.908

18865.729

18865.424

18865.143

18865.070

18864.923

18864.800

18864.727

CALC

8.598

8*550

8.360

7.966

7.903

7.843

7.759

7.619

7.413

6.980

6.952

6.597

6.582

6.570

6.369

6.356

6.314

5.907

5.726

5.500

5.142

5.065

4.923

4.800

4.730

ASSIGNMENT

P112

P159

R 78

P 43

P125

R161

R 46

R 99

R138

P165

R147

P 76

R115

P 44

P145

R 47

P136

R 79

P 97

R167

P 45

R128

R 48

P113

P153

(36-0)

(41-0)

(34-0)

(33-0)

(37-0)

(41-0)

(33-0)

(38-0)

(42-0)

(39-0)

(34-0)

(36-0)

(33-0)

(39-0)

(33-0)

(38-0)

(34-0)

(35-0)

(42-0)

(33-0)

(37-0)

(33-0)

(36-0)

(40-0)

(40-0)

LINE

374

375

376

377

378

379

380

361

382

383

384

385

386

387

388

389

390

OBS

CM-1

18864.417

18864.126

18863.685

18863.555

18863.449

18862.756

18862.513

18862.418

1886?.195

18861.964

18861.622

18861.468

18861.313

18861.181

18861.065

18860.905

18860.676

18860.438

18860.092

CALC

4.416

4.125

3.684

3.559

3.458

3.422

2.756

2.559

2.510

2.417

2.195

1.963

1.679

1.634

1.620

1.466

1.179

1.064

0.966

0.904

0.686

0.674

0.437

0.436

ASSIGNMENT

R100

P 77

P 46

P126

R 49

R 80

R116

R139

P 98

P160

P 47

R 50

R162

R148

P 78

P137

R101

P146

P114

R 81

R129

P 48

R 51

P166

(35-0)

(34-0)

(33-0)

(37-0)

(33-0)

(34-0)

(36-0)

(38-0)

(35-0)

(41-0)

(33-0)

(33-0)

(41-0)

(39-0)

(34-0)

(38-0)

(35-0)

(39-0)

(36-0)

(34-01

(37-01

(33-01

(33-01

(42-01

18860 18859 18858 18857 18856 18855 18854 18853 18852 18851 18850 18849 18848 18847 18846 18845 18844 18843 18842 18841 18840

00

WflV

ENUM

BERS

(C

M"1)

LINE

389

391

392

393

394

395

396

397

398

399

400

401

402

403

OBS CM-1

18860.438

1 AAAfi flQ?

XOOwU•U~t

18859.260

18859.107

18858.981

18858.884

18858.355

18858.175

18858.022

18857.910

18857.b72

18857.541

18857.397

18857.292

18857.099

18856.577

18856.515

18856.271

ia855.930

CALC

0.437

0.436

9.259

9.179

9.123

9.083

8.982

8.928

8.917

8.894

8.879

8.354

7.909

7.667

7.541

7.290

7.097

6.580

6.514

6.275

6.269

6.239

5.975

5.927

ASSIGNMENT

R 51 (

P166 (

P 99

P127 (

P 49

P 79

P154

R156

R168

RU7

R 52

R 82

R102

R140

P 50

R 53

P115

P138

P 80

R149

R130

P161

PlOO

P 51

33-0)

42-0)

35-0)

37-0)

33-0)

34-0)

40-0)

40-0)

42-0)

36-0)

33-0)

34-0)

35-0)

38-0)

33-0)

33-0)

36-0)

38-0)

34-0)

39-0)

37-0)

41-0)

35-0)

33-0)

LINE

404

405

406

407

408

409

410

411

412

413

414

415

416

417

418

OBS CM-1

18855.773

18855.674

18855.473

18855.309

18855.222

18854.998

18854.765

18854.606

18854.285

18854.022

18853.568

18853.278

18853.163

18852.806

18852.734

ie852.610

18852.338

18852.188

18851.815

CALC

5.772

5.720

5.671

5.470

4.997

4.762

4.604

4.283

4.020

3.847

3.193

3.191

3.157

3.115

2.735

2.658

2.607

2.338

2.287

1.815

ASSIGNMENT

R 83

P147

R 54

R163

R11B

P128

R103

P 52

R 55

P167

P116

P155

R 84

R157

R141

P101

P 53

R 56

R169

R131

(34-0)

(39-0)

(41-0)

(36-0)

(37-0)

(35-0)

(33-0)

(33-0)

(34-0)

(42-0)

(36-0)

(40-0)

(34-0)

(40-0)

(38-0)

(35-0)

(33-0)

(33-0)

(42-0)

(37-0)

LINE

419

421

422

423

424

425

426

427

428

429

430

431

432

433

434

435

436

OBS CM-1

If If If If

5851.657

5851.392

5851.067

5850.900

18850.510

If5850.313

18850.021

If If If

3849.919

5849.730

5849.306

18849.258

If If5849.164

5848.883

18848.794

If IfJ848.614

5848.427

18847.894

18847.832

18847.767

18847.396

CALC

1.656

1.266

1.065

0.901

0.876

0.510

0.335

0.308

0.017

9.307

9.254

9.216

9.163

8.880

8.612

7.894

7.830

7.765

7.395

7.358

ASSIGNMENT

P139

R104

R119

P 54

R150

R 85

P148

P129

P162

P102

P117

R164

P 55

R 58

P 83

R105

R 86

R142

P 56

P156

(38-0)

(35-0)

(36-0)

(33-0)

(39-0)

(34-0)

(39-0)

(37-0)

(41-0)

(35-0)

(36-0)

(41-0)

(33-0)

(33-0)

(34-0)

(35-0)

(34-0)

(3R-0)

(33-0)

(40-0)

LINE

437

438

439

441

443

444

445

446

447

448

449

450

451

OBS CM-1

18847.337

18847.261

18847.105

18846.694

18846.622

18846.277

18846.184

18845.920

18845.596

18845.435

18845.297

18845.118

18844.909

18844.490

18844.260

18844.026

18843.765

18843.462

CALC

7.324

7.259

'.211

7.105

7.097

5.693

5.922

5.914

5.610

5.595

5.436

5.298

5.280

5.117

4.910

4.488

5.764

3.752

5.460

ASSIGNMENT

R132

R158

P168

R 59

R120

P140

P103

P 84

R170

P 57

R151

R 60

P118

R 87

P149

R106

P 58

P163

R 61

37-0)

40-0)

33-0)

36-0)

38-0)

35-0)

34-0)

42-0)

33-0)

39-0)

33-0)

36-0)

34-0)

39-0)

35-0)

33-0)

41-0)

33-0)

LINE

452

453

454

455

456

457

458

459

460

461

462

463

464

4b5

)BS CM-1

L8843.185

L8843.097

8842.915

L8842.776

L8842.504

L8842.372

8841.904

L8841.692

18841.592

18841.486

L8841.361

L8841.279

L8841.049

18840.917

L8840.773

L8840.695

L8840.615

L8840.534

18840.421

18840.010

18839.877

18839.692

L8839.596

18839.447

CALC

3.183

3.094

2.918

2.796

2.757

2.503

2.373

1.902

1.692

1.590

1.483

1.361

1.290

1.271

1.048

0.529

0.419

0.009

9.955

9.690

9.595

9.445

ASSIGNMENT

P 85

R121

R165

R133

R143

P104

R 88

P 59

P141

R 62

P157

R159

P131

P119

R107

P169

P 86

P 60

R152

R 63

R 89

P150

(34-0)

(36-0)

(41-0)

(37-0)

(38-0)

(35-0)

(34-0)

(33-0)

(38-0)

(33-0)

(40-0)

(40-0)

(37-0)

(36-0)

(35-0)

(42-0)

(34-0)

(33-0)

(39-0)

(33-0)

(34-0)

(39-0)

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18826

18826

18825

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217

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18824

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18829.

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567 8. 8.

18828.

18828.

497 8.

18828.396 8.

160 8.

18828.

18828.

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37

18800 18799 18798 18797 18796 18795 18794 18793 18792 18791 18790 18789 18788 18787 18786 18785 18784

NRVENUMBERS (CM"1

18783 18782 18781 18780

0000

LINE

632

633

63<f

635

636

637

638

639

640

641

642

643

644

645

646

OBS CM-1

CALC

18800.356 0.364

18800.286 (J.288

18800.108 0.107

C18799.950

18799.737

18799.577

.052

18799.442 9.447

18799.332 9.332

18799.244 <

18798.832 i

18798.638 c

18798.310 «

18798.089 {

18798.017

J.247

>.227

M67

).878

J.863

J.830

J.640

J.310

3.088

18797.868 7.869

18797.782 7.782

18797.608 7.608

7.561

18797.513

18797.267 7.266

18797.098 7.097

18796.961

ASSIGNMENT

R142

P149

R 81

P157

P175

P 46

R 49

P129

P164

P140

R166

P116

P170

P100

P 79

P 47

R 50

R 82

R172

R103

R119

(37-0)

(38-0)

(33-0)

(39-0)

(42-0)

(32-0)

(32-0)

(36-0)

(40-0)

(37-0)

(40-0)

(35-0)

(41-0)

(34-0)

(33-0)

(32-0)

(32-0)

(33-0)

(41-0)

(34-0)

(35-0)

LINE

647

648

649

650

651

652

653

654

655

656

657

658

659

660

661

662

OBS CM-1

18796.796

CALC

18796.699 6.700

18796.635

18796.375

5.377

18796.286 6.286

18795.908 5.915

18795.568 5.568

18795.455 5.461

18795.241

18795.070 5.077

5.056

18794.968 »

18794.851 I

18794.761

18794.631 «

18794.253 '

18793.990 .

18793.789

18793.662

18793.301

18793.205

18793.017

18792.938

18792.618

t.968

t.936

t.853

*.827

1.759

1.628

».261

5.995

5.979

5.299

5.210

5.202

5.015

2.950

2.618

ASSIGNMENT

R132

P 48

R 51

R152

P 80

R143

R 83

P101

P117

P150

P 49

P130

R 52

R160

P158

R104

P141

P 50

R120

R 53

P 81

P165

R167

(36-0)

(32-0)

(32-0)

(38-0)

(33-0)

(37-0)

(33-0)

(34-0)

(35-0)

(38-0)

(32-0)

(36-0)

(32-0)

(39-0)

(39-0)

(34-0)

(37-0)

(32-0)

(35-0)

(32-0)

(33-0)

(40-0)

(40-0)

LINE

663

664

665

666

667

668

669

670

671

672

673

674

675

676

677

678

679

OBS CM-1

18792.514 2

18792.371

18792.266 i

18792.015 2

18791.717 1 1

18791.615 1

18791.072 1

18790.894 C

18790.691 C

18790.608

18790.511 C c

18790.431 C (

18790.186

18790.101 C

CALC

.514

.266

.016

.769

.715

.615

.072

.899

.691

.520

.512

.431

.390

.101

18789.998 9.997

18789.920 9.920

18789.683

18769.540 9.546

18789.289 <

18789.044 c

18788.760 i

18788.453 I IJ.289

).O42

J.775

J.456

J.450

1.428

ASSIGNMENT

R 84

R133

P171

P102

P 51

R 54

P118

R173

R105

R144

R153

P 82

P131

P 52

R 55

R 85

P151

R121

P142

R161

P 53

P103

P159

(33-0)

(36-0)

(41-0)

(34-0)

(32-0)

(32-0)

(35-0)

(41-0)

(34-0)

(37-0)

(38-0)

(33-0)

(36-0)

(32-0)

(32-0)

(33-0)

(38-0)

(35-0)

(37-0)

(39-0)

(32-0)

(34-0)

(39-0)

LINE

680

681

682

683

684

685

686

687

688

689

690

691

692

693

694

695

696

OBS CM-1

18788.348

18788.240

18787.814

18787.295

18787.141

16786.781

18786.671

18786.328

18785.915

18785.803

18785.542

18785.333

18785.263

18785.170

18785.080

18784.960

18784.635

18784.512

18784.280

18784.065

18783.982

18783.739

CALC

8.348

7.815

7.796

7.354

7.293

7.141

6.780

6.690

6.669

6.328

5.918

5.541

5.333

5.167

5.097

5.074

5.070

4.959

4.635

4.115

4.068

3.983

ASSIGNMENT

R 56

P 83

R134

R106

R 86

P119

P 54

P166

R 57

R168

P132

R145

R122

P 84

P104

P 55

R154

R 58

R 87

P152

P143

R107

(32-0)

(33-0)

(36-0)

(34-0)

(33-0)

(35-0)

(32-0)

(40-0)

(32-0)

(40-0)

(36-0)

(37-0)

(35-0)

(33-0)

(34-0)

(32-0)

(38-0)

(32-0)

(33-0)

(38-0)

(37-0)

(34-0)

LINE

697

698

699

700

701

702

703

704

705

706

707

708

OBS CM-1

CALC

18783.338 3.338

3.290

18783.218 3.219

5.176

18782.881 2.880

18782.791

18782.718

18782.490 2.554

2*488

18782.158

18781.945

18781.711

18781.572

18781.449

18781.344

18781.119

18780.884

18780.574 (

18780.384

18779.996 «

L.945

L.711

1.571

L.448

L.409

L.342

).579

).523

).386

J.995

18779.776 9.777

9.773

18779.648 9.647

18779.592

18779.487

3.588

ASSIGNMENT

P 56

R135

R 59

P120

R162

P160

P 85

R 88

P105

P 57

R 60

P133

R123

R108

R146

P167

R169

P 86

P 58

R 61

R155

(32-0)

(36-0)

(32-0)

(35-0)

(39-0)

(39-0)

(33-0)

(33-0)

(34-0)

(32-0)

(32-0)

(36-0)

(35-0)

(34-0)

(37-0)

(40-0)

(40-0)

(33-0)

(32-0)

(32-01

(38-0)

l\

o o COQQCL

I

18780 18779 18778 18777 18776 18775 18774 18773 18772 18771

18770 18769 18768 18767 18766 18765 18764 18763 18762 18761

18760

HRVE

NUMB

ERS

(CM"

1)

00

LINE

707

708

709

710

711

712

713

714

715

716

717

718

719

720

721

722

723

724

725

726

OBS

CM-1

18779.996

18779.776

18779.648

18779.592

18779.487

18779.221

18779.055

18778.914

18778.744

18778.633

18778.372

18778.292

18778.241

18777.946

18777.815

18777.317

18777.239

18777.142

18777.035

18776.944

18776.863

18776.639

18776.470

18776.090

18775.954

18775.818

18775.468

18775.233

18775.213

18775.143

18774.840

18774.385

CALC

9.995

9.777

9.773

9.647

9.588

9.223

9.177

9.056

8.747

8.646

8.292

7.945

7.815

7.317

7.142

7.034

6.943

6.864

6.639

6.469

6.087

5.952

5.468

5.143

4.840

ASSIGNMENT

R169

P 86

P 58

R 61

R155

R 89

P121

P144

R136

P153

P106

P 59

R 62

R124

R109

P 87

R163

P134

P161

R 90

P 60

R 63

R147

P122

P107

(40-0)

(33-0)

(32-0)

(32-0)

(38-0)

(33-0)

(35-0)

(37-0)

(36-0)

(38-0)

(34-0)

(32-0)

(32-0)

(35—0)

(34-0)

(33-0)

(39-0)

(36-0)

(39-0)

(33-0)

(32-0)

(32-0)

(37-0)

(35-0)

(34-0)

LINE

727

728

729

730

731

732

733

734

735

736

737

738

739

740

741

742

743

744

745

OBS

CM-1

18774.258

18774.197

18774.058

18773.777

18773.679

18773.255

18773.130

18772.616

18772.280

18772.136

18771.992

18771.452

18771.354

18771.074

18770.965

18770.865

18770.679

18770.607

18770.329

18770.175

18769.999

18769.546

18769.162

18768.923

CALC

4.259

4.198

4.168

4.065

4.058

4.038

4.006

3.683

3.671

3.617

3.256

3.136

2.283

2.278

2.134

1.452

1.355

1.074

0.964

0.865

0.681

0.374

0.328

0.179

0.167

9.552

9.161

8.918

ASSIGNMENT

P 88

P 61

R137

R156

R 64

P168

P145

R 91

R110

R170

R125

P154

P135

P 62

R 65

P 89

P108

P123

R164

R 92

P162

R148

P 63

R 66

Rill

R13fi

R126

P146

(33-0)

(32-0)

(36-0)

(38-0)

(32-0)

(40-0)

(37-0)

(33-0)

(34-0)

(40-0)

(35-0)

(38-0)

(36-0)

(32-0)

(32-0)

(33-0)

(34-0)

(35-0)

(39-0)

(33-0)

(39-0)

(37-0)

(32-0)

(32-0)

(34-0)

(36-0)

(35-0)

(37-0)

LINE

746

747

748

749

750

751

752

753

754

755

756

757

758

759

760

761

762

763

OBS

18768

18768

18768

18768

18768

18767

18767

18767

18767

18767

18767

18767

18766

18766

18766

18766

18766

18766

18766

18766

18765

CM-1

.614

.510

.348

.196

.016

.942

.836

.660

.589

.333

.194

.097

.930

.803

.700

.629

.567

.404

.336

.992

CALC

8.614

8.503

8.347

8.194

8.015

7.836

7.666

7.647

7.587

7.195

6.970

6.936

6.922

6.921

6.806

6.801

6.703

6.697

6.630

6.571

6.563

6.410

6.400

6.335

6.177

5.998

5.986

ASSIGNMENT

P 90

R157

P 64

R 67

R 93

P109

P136

P169

P155

R171

P124

R

1R

2R

0

R

4P

1R

5P

2R112

R

6P

3R

7P

4P 65

R 68

R

9P

6

(33-0)

(38-0)

(32-0)

(32-0)

(33-0)

(34-0)

(36-0)

(40-0)

(38-0)

(40-0)

(35-0)

(31-0)

(31-0)

(31-0)

(31-0)

(31-0)

(31-0)

(31-0)

(31-0)

(34-0)

(31-0)

(31-0)

(31-0)

(31-0)

(32-0)

(32-0)

(31-0)

(31-0)

LINE

764

765

766

767

768

769

770

771

772

773

774

775

776

777

778

779

OBS

CM-1

18765.741 5CALC

>.748

18765.579

18765.462

5.468

5.453

18765.233

5.242

18765.141

5.159

5.142

5.133

18765.033

5.030

18764.901 »

18764.812

18764.682

18764.643

18764,532

18764.440

18764.292

(18764.132

18764.046

18763.892

18763.785

18763.612 .

18763.440

18763.160

18763.056

+ .942

+ .899

+ .820

+ .802

+ .682

+ .452

+ .432

+ .293

+ .284

+ .130

+ .054

+ .033

5.792

5.627

5.604

5.170

5.146

5.059

5.012

ASSIGNMENT

R 10

R 11

P

8R149

R 12

P

9R 94

R127

R165

R139

R 13

P 10

P163

R 14

P 11

P 66

P110

R 69

R 15

P 12

P147

R 16

P 13

R 17

P 14

R113

P137

(31-0)

(31-0)

(31-0)

(37-0)

(31-0)

(31-0)

(33-0)

(35-0)

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(31-0)

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780

781

782

783

784

785

786

787

788

789

790

791

792

793

794

795

796

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18762.839

18762.668

18762.512

18762.421

18762.218

18762.161

18762.053

18762.001

18761.873

18761.604

18761.264

18761.034

18760.863

18760.698

18760.600

18760.421

18760.207

18760.118

18759.935

18759.795

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CALC

2.900

2.841

2.832

2.684

2.658

2.220

2.219

2.168

2.141

2.052

1.998

1.622

1.594

1.212

1.047

1.018

0.865

0.728

0.699

0.442

0.412

0.210

0.116

0.072

9.943

9.907

9.808

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IDJW

18300 18299 18298 18297 18296 1829S 18294 18293 18292 18291 18290 18289 18288 18287 18286 18285 18284 18283 18282 18281 18280

WRVENUMBERS (CMM)

LINE

572

573

574

575

576

577

578

579

580

581

582

583

584

585

586

587

588

589

590

591

592

OBS CM-1

18300.341

18300.173

18300.069

18299.969

18299.743

18299.407

18299.290

18299.204

18299.033

18298.918

18298.775

18298.708

18298.530

18298.372

18298.214

18297.933

18297.831

18297.692

18297.602

18297.455

.18297.340

18297.110

18297.033

18296.920

18296.714

CALC

0.341

0.166

0.068

9.978

9.952

9.743

9.454

9.409

9.382

9.290

9.236

9.207

9.032

8.917

8.859

8.776

8.730

8.704

8.234

8.213

8.166

7.934

7.830

7.690

7.628

7.603

7.340

7.122

7.109

*****

6.716

6.698

ASSIGNMENT

P 37

R135

R165

R 41

P 84

R 55

R114

P132

P105

P 38

Pill

P 52

R115

R 42

R132

R 88

R108

R 91

R 56

P 39

P 88

P112

R 43

P 53

R177

P 85

R152

P149

(25-0)

(28-0)

(30-0)

(25-0)

(26-0)

(28-1)

(30-1)

(28-0)

(33-2)

(25-0)

(28-D

(27-0)

(25-0)

(31-1)

(26-0)

(33-2)

(29-1)

(28-D

(25-0)

(29-1)

(27-0)

(25-0)

(28-D

(31-0)

(26-0)

(29-0)

(29-0)

P 40 (25-0)

ARTIFACT

R 44

R 57

(25-0)

(28-D

LINE

593

594

595

596

597

598

599

600

601

602

603

604

605

606

607

608

609

610

OBS CM-1

18296.409

18296.318

18296.136

18295.977

18295.843

18295.575

18295.408

18295.226

18295.134

18294.892

18294.821

18294.745

18294.574

18294.410

18294.318

18294.190

18294.015

18293.945

18293.638

18293.537

18293.449

18293.320

18293.215

CALC /

6.410 F

6.318 F

6.145 F

6.127 f

6.125

6.079 F

5.979

5.915

5.847

5.585 f

5!568

5.565

5.413 f

5.227

5.134

5.086

4.894

4.822

4.746 F

4.572

4.409

4.016

3.639

3.541

3.517

3.216

2.975

2.971

ASSIGNMENT

* 89

1136

> 54

*115

* 92

s106

» 41

U12

U16

» 89

»163

3133

U09

^ 86

? 58

U66

U33

> 42

U13

' 55

* 46

R 90

(26-0

(28-0

(28-1

(30-1

(29-1

(33-2

(25-0

(30-1

(27-0

(29-1

(25—0

(30-0

(28-0

(33-2

(26-0

(28-1

(30-0

(31-1

(25-0

(27-0

(28-1

(25-0

(26-0

3 43

R 59

1 93

* 47

3 56

(25-0

(28-1

(29-1

(25-0

(29-1

(28-1

LINE

612

613

614

615

616

617

618

619

620

621

622

623

624

625

CALC

626

627

628

629

630

OBS CM-1

18292.822

18292.632

18292.567

18292.430

18292.125

18291.995

18291.923

18291.689

18291.593

18291.526

18291.344

18291.193

18290.880

18290.748

18290.571

18290.494

18290.391

18290.272

18289.930

18289.687

18289.475

18289.386

CALC

2.881

2.823

2.770

2.744

2.674

2.633

2.563

2.440

2.429

2.123

1 .996

1.921

1.691

1.594

1.528

1.343

1.193

0.898

0.880

0.749

0.572

0.391

0.336

0.272

9.930

9.686

9.476

9.390

9.383

9.377

9!l45

ASSIGNMENT

R153

P 87

R116

P107

P150

R117

P113

R137

P 44

R178

R 48

R 60

P134

R 91

P114

P 57

P 45

R134

R 94

R 49

P164

P 88

P 91

R 61

R167

P 46

P 58

R 50

R118

R117

P108

P114

R 92

(29-0)

(26-0)

(30-1)

(33-2)

(29-0)

(27-0)

(30-1)

(28-0)

(25-0)

(31-0)

(25-0)

(28-1)

(28-0)

(26-0)

(27-0)

(28-1)

(25-0)

(31-1)

(29-1)

(25-0)

(30-0)

(26-0)

(29-1)

(28-1)

(30-0)

(25-0)

(28-D

(25-0)

(27-0)

(30-1)

(33-2)

(30-1)

(26-0)

LINE

631

632

CALC

633

634

635

636

637

638

639

640

641

642

643

644

645

646

647

648

OBS CM-1

18288.639

18288.531

18288.280

18288.177

18288.002

18287.932

18287.788

18287.665

18287.446

18287.322

18286.851

18286.667

18266.290

18286.116

18285.980

18285.766

18285.629

18285.497

18285.450

18285.270

18285.158

18285.003

CALC /

8.641 F

8.595 F

8.532 F

8.389 F

8.282 F

8.213 F

8.194 F

8.176 F

8.001 F

7.932 F

7.7H6 F

7.668 F

*****

7.325 F

6.891 F

6.869 F

6.850 F

6.668 F

6.288 F

6.118 F

5.982 F

5.978 F

5.965 F

5.768 F

5.544 F

5.517 F

5.496 F

5.445 F

5.158 F

5.023

ASSIGNMENT

1 47

I 62

1138

1154

>115

I 95

>151

I 51

» 59

» 89

>135

> 92

(25-0)

(28-D

(28-0)

(29-0)

(27-0)

(29-1)

(29-0)

(25-0)

(28-1)

(26-0)

(28-0)

(29-1)

ARTIFACT

» 48

I 63

U35

* 52

* 93

> 60

*119

> 49

J109

me

'115

>165

* 96

* 53

» 90

* 64

U68

5.007

Pno

4.970

P 93

(25-0)

(28-1)

(31-1)

(25-0)

(26-0)

(28-1)

(27-0)

(25-0)

(33-2)

(30-1)

(30-D

(30-0)

(29-1)

(25-0)

(26-0)

(28-1)

(30-0)

(27-0)

(29-1)

LINE

649

650

651

652

653

654

655

656

657

658

659

660

661

662

663

664

665

666

667

668

669

OBS CM-1

18284.611 < (

18284.560

18284.117

18283.856

18283.680

18283.398

18283.216

18282.930

18282.802

18282.709

18282.521

18282.330

18282.241

18281.948

18281.795

18281.701

18281.626

18281.278

18280.985

18280.627

18280.482

18280.348

18280.040

18279,890

18279.814

CALC /

1.613 F

».593 F

1.548 F

1.163 F

U117

F5.866 F

5.852 F

5.682 F

5.397 F

5.218

F

2.930 F

2.81

7 F

2.808 F

2.791

F2.779 1

2.711

F2.547 F

2.51

6 F

2.325 F

2.244 F

L.795 F

1.703 F

L.630 F

..608

F• 2

781.982 1

3.624 F

3.483 F

3.388 F

1.347 F

3.036 F

9.942 F

9.888 F

9.818 F

9.790 F

ASSIGNMENT

> 50

139

» 61

* 94

54

1155

>136

>152

I 65

» 51

» 91

1120

1136

» 97

> 62

I 55

J 110

1119

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1140

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? 98

U69

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(26-0)

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(28-0)

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(28-1)

(25-0)

(26-0)

(27-0)

(31-1)

(29-1)

(28-1)

(25-0)

(33-2)

(30-1)

(30-1)

(29-1)

(25-0)

(27-0)

(26-0)

(28-1)

(25-0)

(28-1)

(28-0)

(30-0)

(26-0)

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29-1)

27-1)

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18262

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3.534

3.403

3.203

3.042

7.785

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18248

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18248

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18248

18247

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7.591

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9.887 F

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9.173 F

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8.929 F

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8.803 F

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NUMB

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LINE

970

971

972

973

974

975

976

977

978

979

980

981

982

983

984

OBS

CM-1

18220.116

18220.016

18219.934

18219.877

18219.396

18219.215

18219.104

18218.955

18218.859

18218.721

18218.370

18218.186

18218.077

18217.823

18217.635

18217.547

18217.411

18217.334

18217.266

18217.175

18217.018

18216.759

CALC /

0.116 F

0.012 F

9.935 F

9.879 F

9.876 F

9.212 F

9.110 F

9.093 F

ISSIG

» 36

* 94

» 55

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9.085

R 59

8.954

R 89

8.862

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8.830

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8.722

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8.396

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8.363

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8.186

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8.077

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7.823

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7.546

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7.497

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7.413

P114

7.412

R155

7.398

R 95

7.263

P135

7.183

P166

7.168

R169

7.143

P178

7.018

P 39

6.772

P152

6.764

P 57

6.757

R 43

NMENT

(24-0)

(28-1)

(27-1)

(25-0)

(24-0)

(28-D

(24-0)

(30-1)

(27-1)

(25-0)

(24-0)

(26-0)

(29-1)

(27-0)

(27-1)

(29-1)

(24-0)

(24-0)

(25-0)

(27-1)

(26-0)

(28-0)

(28-1)

(27-0)

(29-0)

(29-0)

(30-0)

(24-0)

(28-0)

(27-1)

(24-0)

LINE

985

986

987

988

989

990

991

992

993

994

995

996

997

998

999

1000

1001

1002

OBS

CM-1

18216.606

18215.933

18215.662

18215.539

18215.344

18215.186

18214.822

18214.761

18214.547

18214.233

18214.029

18213.950

18213.687

18213.485

18213.405

18212.955

18212.800

18212.524

18212.446

18212.323

18212.234

CALC

6.607

6.594

5.933

5.881

5.665

5.651

5.343

5.186

5.137

5.095

4.823

4.810

4.756

4.547

4.537

4.238

4.233

4.228

3.947

3.686

3.483

3.405

3.403

2.951

2.799

2.567

2.523

2.444

2.319

2.233

2.193

2.161

ASSIGNMENT

R 90

P 92

P 40

R 61

R 44

R118

R119

P 87

P 58

P134

P 41

P116

R 96

R 45

R139

R 62

R 91

P115

P 93

P 42

P 59

P136

R 46

R156

P 88

R 63

P 43

R119

P153

R 47

P167

R170

(25-0)

(28-1)

(24-0)

(27-1)

(24-0)

(26-0)

(29-1)

(25-0)

(27-1)

(30-1)

(24-0)

(29-1)

(28-1)

(24-0)

(27-0)

(27-1)

(25-0)

(26-0)

(28-1)

(24-0)

(27-1)

(27-0)

(24-0)

(28-0)

(25-0)

(27-1)

(24-0)

(26-0)

(28-0)

(24-0)

(29-0)

(29-0)

LINE

1003

1004

1005

1006

1007

1008

1009

1010

1011

1012

1013

1014

1015

1016

1017

1018

OBS

CM-1

18212.090

18211.934

18211.829

18211.645

18211.404

18211.334

18211.034

18210.871

18210.650

18210.385

18210.306

18210.117

18209.990

18209.817

18209.520

18209.402

18209.209

18209.147

18208.880

18208.568

18208.473

18208.358

18208.079

CALC

2.085

1.934

1.831

1.802

1.646

1.404

1.334

1.272

1.066

1.037

1.015

0.869

0.649

0.385

0.120

0.093

9.815

9.517

9.403

9.385

9.209

9.143

8.879

8.568

8.567

8.494

8.458

8.356

ASSIGNMENT

R 97

R120

R 92

P 60

P179

P117

P 44

P 94

P135

R 48

P116

R 64

R140

P 89

P 45

P 61

R 49

P137

R 93

R 98

R120

R 65

P 46

P 95

R 50

R121

R157

P 62

(28-1)

(29-1)

(25-0)

(27-1)

(30-0)

(29-1)

(24-0)

(28-1)

(30-1)

(24-0)

(26-0)

(27-1)

(27-0)

(25-0)

(24-0)

(27-1)

(24-0)

(27-0)

(25-0)

(28-1)

(26-0)

(27-1)

(24-0)

(28-1)

(24-0)

(29-1)

(28-0)

(27-1)

LINE

1019

1020

1021

1022

1023

1024

1025

1026

1027

1028

1029

1030

1031

1032

1033

1034

1035

1036

OBS

CM-1

CALC

18207.946

7.967

18207.840

'18207.775 •

18207.613 "

18207.392 "

18207.294 "

18207.121 *

18206.948

r.944

r.835

r.773

r.6i2

r.389

r.293

M70

r.121

7.005

6.947

18206.732 (

18206.661 (

18206.594

18206.465

18206.319

18206.142

18205.993

18205.841

18205.608

18205.477

18205.001

18204.802 <

18204.667

18204.468

18204.177

s.730

3.656

5.592

3.319

S.992

5.945

5.836

5.608

5.600

5.475

5.025

5.000

• .801

• .666

• .504

• .501

• .464

ASSIGNMENT

P118

P 90

P154

P117

P 47

R 66

R 51

P168

R171

P136

R 94

R141

R 99

P 63

P 48

R 52

R121

P 96

R 67

P138

P 91

R122

P 49

P 64

R 53

P118

P119

R 95

(29-1)

(25-0)

(28-0)

(26-0)

(24-0)

(27-1)

(24-0)

(29-0)

(29-0)

(30-1)

(25-0)

(27-0)

(28-1)

(27-1)

(24-0)

(24-0)

(26-0)

(28-1)

(27-1)

(27-0)

(25-0)

(29-1)

(24-0)

(27-1)

(24-0)

(26-0)

(29-1)

(25-0)

LINE

1037

1038

1039

1040

1041

1042

1043

1044

1045

1046

1047

1048

1049

1050

1051

1052

OBS

CM-1

CALC

18203.896

3.935

3.899

18203.802

3.799

18203.656

3.655

18203.315

3.321

3.313

18203.075

3.075

18202.982

2.981

2.980

2.913

18202.784

2.782

18202.655

2.652

18202.509

18202.284

2.284

18202.186

18202.115

2.115

18202.052

2.048

18201.942

18201.657

18201.524

18201.206

18201.130

18201.011

18200.888 tL.963

L.953

L.934

L.653

L.526

L.206

L.135

L.113

L.005

).8R7

18200.531

0.529

18200.459

0.457

18200.285

0.2A5

18200.156

18200.101

0-nqq

ASSIGNMENT

R158

R100

R 68

P 50

P155

R 54

P 97

P 65

P 92

P137

R142

R122

P 51

P169

R172

R 69

R 96

R 55

P139

R123

P119

P 66

R101

P120

P 52

R 56

P 93

P 98

R 70

(28-0)

(28-1)

(27-1)

(24-0)

(28-0)

(24-0)

(28-1)

(27-1)

(25-0)

(30-D

(27-0)

(26-0)

(24-0)

(29-0)

(29-0)

(27-1)

(25-0)

(24-0)

(27-0)

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(26-0)

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(24-0)

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oei i -

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.440

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1129 18

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P 15

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.073

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27-0)

26-1)

26-1)

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26-1)

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R147

P 16

R 20

R128

P 64

R 79

PlOO

P 17

P142

R 21

R 68

P 18

P144

.592

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676

677

678

679

680

681

682

683

684

685

686

687

688

689

690

691

692

693

694

695

696

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CM-1

18100.322 (

18100.236 (

18100.132

18099.881 <

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3.239

J.207

J.133

J.881

18099.699 9.698

18099.617 «

18099.474 < <

18099.384

18099.208 <

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18098.844

18098.720 c

18098.622

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18098.160

18097.950

18097.766 "

18097.685

18097.501

18097.237

18096.945

18096.719

18096.654

J.618

J.501

J.472

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).398

J.385

).209

J.049

3.973

3.844

3.768

3.717

3.461

3.379

3.374

3.160

7.949

7.766

7.700

7.672

7.522

7.497

7.450

7.242

5.944

5.727

5.714

5.655

ASSIGNMENT

P 21

R132

P101

R130

R 25

R 82

P 22

Rill

R 26

P 64

P146

P129

R105

R 68

P 23

R166

R 27

R150

P 79

P108

P127

P 24

R 28

P163

P 65

R 83

P 25

P102

R 69

R 29

P147

P 26

R131

R 30

R106

(25-1)

(28-1)

(24-0)

(25-0)

(25-1)

(26-1)

(25-1)

(27-1)

(25-1)

(23-0)

(29-1)

(28-1)

(24-0)

(23-0)

(25-1)

(27-0)

(25-1)

(26-0)

(26-1)

(27-1)

(25-0)

(25-D

(25-1)

(27-0)

(23-0)

(26-1)

(25-1)

(24-0)

(23-0)

(25-1)

(26-0)

(25-1)

(25-0)

(25-1)

(24-0)

LINE 697

698

699

700

701

702

703

704

705

706

707

706

709

710

711

712

713

714

715

716

717

718

OBS

CM-1

CALC

18096.525 6.574

6.529

6.524

18096.190 6.190

18096.033 6.034

18095.953 5.951

18095.759 5.759

18095.673 !

18095.491 !

18095.410 !

18095.162

18094.891 (

18094.778 *

18094.605 <

18094.517

18094.346 (

18094.277 l

18093.994 :

18093.897 2

18093.771 2

18093.505 2

18093.252 5

18093.106

5.673

5.491

5.412

5.410

5.162

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(.892

(.778

(.635

(.604

(.348

(.304

(.276

(.265

5.995

5.898

J.771

5.506

5.502

5.255

5.250

5.219

3.109

18092.914 2.913

18092.771 2.773

18092.640 2.639

18092.492 2.493

ASSIGNMENT

R112

R133

P 80

P 27

P 66

R 31

R 70

P130

R 84

P109

P 28

R 32

P147

P128

P103

R151

P 29

R 33

P 81

P 67

R167

R 71

R107

P 30

R 34

R113

R 85

P164

R132

P148

P 31

R134

R 35

P 68

(27-1)

(28-1)

(26-1)

(25-1)

(23-0)

(25-1)

(23-0)

(28-1)

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(27-1)

(25-1)

(25-1)

(29-1)

(25-0)

(24-0)

(26-0)

(25-1)

(25-1)

(26-1)

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(27-0)

(23-0)

(24-0)

(25-1)

(25-1)

(27-1)

(26-1)

(27-0)

(25-0)

(26-0)

(25-1)

(28-1)

(25-1)

(23-0)

LINE 719

720

721

722

723

724

725

726

727

728

729

730

731

732

733

734

735

736

737

738

739

740

OBS

CM-1

CALC

18092.334 2.335

18092.204 2.206

18092.015 2.056

2.028

2.007

18091.917

18091.747

18091.613

18091.376

18091.114

L.919

L.746

L.377

L.117

L.114

18090.991 0.991

18090.826 0.826

0.786

18090.683 0.683

18090.471 0.472

18090.390 0.401

0.390

18090.180 0.179

18089.880 9.880

18089.783 9.781

18089.682 9.683

18089.523 9.527

18089.212 9.229

9.216

9.210

18088.910 8.987

8.947

8.907

18088.848 (3.848

18088.701 8.700

18088.548 8.549

I18088.302 (

18088.226 <

18088.135

3.519

3.303

3.226

3.136

ASSIGNMENT

P110

R 72

P 82

P 32

P104

P131

R 36

P129

P 33

R108

R 86

R 37

P148

P 69

R152

R114

R 73

P 34

R 38

P 83

R133

R168

Pill

P 35

P105

R135

P149

R 39

P 70

R 87

R 74

P165

R109

P 36

P132

(27-1)

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(26-1)

(25-1)

(24-0)

(28-1)

(25-1)

(25-0)

(25-1)

(24-0)

(26-1)

(25-1)

(29-1)

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(26-0)

(27-1)

(23-0)

(25-1)

(25-1)

(26-1)

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(27-0)

(27-1)

(25-1)

(24-0)

(28-1)

(26-0)

(25-1)

(23-0)

(26-1)

(23-0)

(27-0)

(24-0)

(25-1)

(28-1)

LINE 741

742

743

744

745

746

747

748

749

750

751

752

753

754

755

756

757

758

OBS

CM-1

18088.034

CALC

18087.909 7.908

18087.832 7.834

18087.606

18087.478 7.479

18087.269 7.271

18087.210 " r.210

18086.987 6.988

18086.884 6.884

18066.682 6.682

18086.541

18086.385 6.403

6.386

6.381

18086.280 6.280

18066.167 6.168

18086.110 6.118

6.095

18085.957

18085.833 5.832

18085.464 5.465

18085.354

18085.101 5.171

5.150

5.101

5.099

18085.019

18084.899

16084.779 H

18064.434

18084.319 *

18084.261 «

18064.108 *(.

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ASSIGNMENT

R 40

P130

P 84

R115

P 37

P 71

R 41

R 75

P149

P106

R 88

R153

P 38

R134

P112

R 42

R110

R136

P 85

P 72

P 39

R 76

R169

P150

R 43

P133

P131

R116

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(26-1)

(27-1)

(25-1)

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(25-1)

(23-0)

(29-1)

(24-0)

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760

761

762

763

764

765

766

767

768

769

770

771

772

773

774

775

776

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18084.013

CALC

1.035

4.005

18083.884

18083.757

18083.652

18083.533

18083.187

18082.873 .5.

758

5.651

5.534

5.189

2.932

2.884

2.870

18082.793 .

18082.599

18082.523

2.793

2.600

2.526

2.521

18082.054 2.058

18081.986

18081.737

18081.664

18081.365

18081.250

18080.924 (

18080.658

18080.562

18080.409

18080.276

18080.182

18080.024

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L.990

L.736

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3.925

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J.408

3.182

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J.707

ASSIGNMENT

R 89

P 40

P166

R 44

P107

P 73

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P 41

R 77

P 86

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R135

R 45

R154

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Table 2. Interpolation parameters** obtained from least squares fits of individual (v'-v") bands to equations (1).

v1 -v "

45-0

44-0

43-0b

42-0

41-0

40-0

39-0

38-0

37-0

36-0

35-0

34-0

33-0

32-0c

31-0d

30-0

29-0

28-0

27-0

26-0

25-0

24-0

23-0

22-0e

31-1

30-1

29-1

28-1

27-1

26-1

25-1

24-1

37-2

36-2

35-2

34-2

33-2

P

Jmin *

11

22

27

12

7

8

5

7

5

4

5

9

13

7

31

11

7

6

5

5

7

8

17

15

34

9

8

12

7

6

5

10

11

8

11

15

24

Branch

No.

167

157

152

175

171

171

171

175

178

170

179

176

174

172

172

179

170

173

177

171

177

168

169

164

123

146

154

154

163

156

157

167

114

110

107

109

115

73

75

52

87

81

94

95

84

90

92

105

98

85

71

70

97

101

95

107

114

119

116

94

65

17

38

38

52

52

43

57

71

21

25

21

18

20

R

J . Jmin

13

7

10

14

9

6

5

7

6

5

5

12

14

6

5

7

5

4

5

10

7

8

5

5

27

12

7

8

7

7

8

5

12

11

10

33

40

Branch

No.

max L ^ \

163

161

163

174

173

173

169

178

177

178

169

179

181

179

178

175

179

175

170

172

179

174

172

170

137

129

145

150

156

157

157

161

114

105

106

108

109

77

72

63

82

94

92

88

90

100

111

107

99

107

88

74

90

112

94

114

110

111

112

92

71

20

33

44

34

52

43

69

76

25

20

20

16

21

Std. Dev.of Fi t(cm"1)

0.0024

0.0022

0.0027

0.0024

0.0025

0.0022

0.0021

0.0020

0.0022

0.0023

0.0021

0.0019

0.0025

0.0023

0.0028

0.0015

0.0016

0.0017

0.0024

0.0017

0.0015

0.0015

0.0017

0.0027

0.0021

0.0020

0.0026

0.0023

0.0016

0.0012

0.0015

0.0017

0.0023

0.0026

0.0024

0.0026

0.0024

vQ x 10"5

(cm"1)

0.195163613

0.194759905

0.194336823

0.193894140

0.193431465

0.192948559

0.192445316

0.191921469

0.191376895

0.190811385

0.190224898

0.189617408

0.188988936

0.188339425

0.187668755

0.186977046

0.186264451

0.185530998

0.184776805

0.184001954

0.183206599

0.182391040

0.181555307

0.180699558

0.185535703

0.184844042

0.184131473

0.183397930

0.182643739

0.181869034

0.181073699

0.180258069

0.187123221

0.186557601

0.185971212

0.185363708

0.184735201

B' x 101

(cm'1)

0.18018728

0.18394367

0.18722787

0.19094128

0.19436945

0.19786561

0.20116427

0.20453472

0.20762792

0.21082957

0.21385144

0.21683688

0.21976994

0.22270804

0.22521063

0.22836349

0.23105991

0.23372552

0.23640338

0.23892968

0.24133627

0.24375738

0.24621734

0.24864723

0.22570051

0.22840061

0.23120341

0.23380043

0.23631178

0.23888172

0.24139129

0.24382636

0.20767058

0.21072968

0.21404409

0.21686690

0.22001681

B" x 101

(cm"1)

0.37299442

0.37313127

0.37284063

0.37308710

0.37307194

0.37315117

0.37311621

0.37322028

0.37313737

0.37320255

0.37312974

0.37306535

0.37303719

0.37309719

0.37275425

0.37311068

0.37308489

0.37309320

0.37318390

0.37316711

0.37305832

0.37304948

0.37313994

0.37324815

0.37207962

0.37199561

0.37210813

0.37202312

0.37191287

0.37196383

0.37198067

0.37198675

0.37091688

0.37073115

0.37097251

0.37075985

0.37096045

D' x 107

(cm"1)

0.277981

0.279128

0.246293

0.248824

0.233181

0.234316

0.224764

0.224938

0.201702

0.198457

0.183564

0.170785

0.161443

0.156107

0.132334

0.147624

0.138863

0.133996

0.136129

0.129675

0.119061

0.113625

0.115061

0.117127

0.159268

0.149532

0.152554

0.145406

0.131330

0.126468

0.123166

0.120973

0.216472

0.193327

0.202416

0.181556

0.191667

D" x 108

(cm"1)

0.33354

0.46582

0.22560

0.43113

0.39122

0.46486

0.45068

0.54155

0.45137

0.54288

0.48768

0.41564

0.39176

0.42573

0.25073

0.45179

0.41706

0.42405

0.51231

0.50398

0.42247

0.40877

0.46874

0.53405

0.50413

0.45175

0.58087

0.55583

0.44247

0.45627

0.46501

0.49687

0.68350

0.37002

0.55783

0.42558

0.62031

H' x 101 3

(cm"1)

-1.34323

-0.88318

-1.12772

-0.95171

-1.03320

-0.57164

-0.38998

-0.01774

-0.43993

-0.37426

-0.56247

-0.64132

-0.65357

-0.58491

-0.80653

-0.39097

-0.42877

-0.39673

-0.17679

-0.18282

-0.28070

-0.28981

-0.16403

-0.05612

-0.22472

-0.34218

-0.05690

-0.01508

-0.25016

-0.25907

-0.21543

-0.10304

-0.00006

H" x 101 4

(cm'1)

-3.1957

0.1893

-5.4578

-0.5887

-1.7714

-0.1072

-0.3671

1.9019

-0.4603

1.9948

0.9779

-0.8193

-1.5785

-0.9737

-3.6445

-0.1603

-1.0541

-1.0795

1.1841

1.1061

-0.5431

-0.9579

0.1433

1.2097

1.8374

-0.6779

3.1710

3.3062

-0.0205

-0.1474

-0.1149

1.1659

9.1877

L' x 101 8

(cm"1)

-1.8958

-1.6130

-1.8808

-0.9056

-0.6655

-0.9103

-1.0901

-1.2150

-0.7966

-0.3438

a The parameters in this table are to be used only for calculating interpolated line positions in the P and R branches of individual

(v'-v") bands, and are presented here with sufficient significant figures to permit this back calculation to within 0.001 cm" . These

parameters are not to be interpreted as molecular constants, and are thus not given with standard deviations, which in all cases

correspond to errors considerably greater than implied by the number of significant figures presented in this table.

P and R branches blended from the band origin to P(60) and R(62).

c P and R branches blended from the band origin to P(35) and R(38).

d P and R branches blended from the band origin to P(92) and R(95).

e P and R branches blended from the band origin to P(59) and R(63).

78

Table 3. Lower state combination differences, A2F"(J), for the (v'-O) bands calculated from the constants of Table 2 for J values

below that of the last transition used in the least squares fit.

J

10

20

30

40

50

60

. 70

80

90

100

110

120

130

140

150

160

170

J

10

20

30

40

50

60

70

80

90

100

110

120

130

140

150

160

170

(45-0)

1.567

3.058

4.550

6.041

7.531

9.020

10.508

11.995

13.480

14.963

16.444

17.922

19.397

20.867

22.334

23.795

(33-0)

1.567

3.059

4.550

6.041

7.531

9.020

10.508

11.995

13.480

14.962

16.443

17.921

19.396

20.867

22.335

23.799

25.259

(44-0)

1.567

3.059

4.551

6.042

7.533

9.022

10.509

11.996

13.480

14.962

16.443

17.920

19.396

20.868

22.337

(32-0)b

1.567

3.059

4.551

6.042

7.532

9.021

10.509

11.996

13.480

14.963

16.443

17.921

19.396

20.867

22.335

23.800

25.260

(43-0)a

1.566

3.057

4.548

6.039

7.529

9.018

10.507

11.994

13.480

14.963

16.444

17.923

19.397

20.868

22.333

(31-0)C

1.566

3.056

4.547

6.037

7.527

9.016

10.504

11.991

13.476

14.960

16.442

17.921

19.397

20.869

22.338

23.801

25.259

(42-0)

1.567

3.059

4.551

6.042

7.532

9.021

10.509

11.995

13.480

14.962

16.443

17.921

19.396

20.868

22.337

23.802

25.263

(30-0)

1.567

3.059

4.551

6.042

7.532

9.021

10.509

11.995

13.480

14.962

16.442

17.920

19.395

20.868

22.337

23.802

25.264

(41-0)

1.567

3.059

4.551

6.042

7.532

9.021

10.509

11.996

13.481

14.964

16.444

17.922

19.397

20.868

22.336

23.799

25.258

(29-0)

1.567

3.059

4.551

6.042

7.532

9.021

10.509

11.996

13.480

14.963

16.443

17.921

19.396

20.868

22.336

23.801

(40-0)

1.567

3.060

4.551

6.043

7.533

9.022

10.510

11.996

13.480

14.963

16.443

17.921

19.395

20.867

22.336

23.801

25.263

(28-0)

1.567

3.059

4.551

6.042

7.532

9.021

10.509

11.996

13.480

14.963

16.443

17.920

19.395

20.867

22.335

23.799

25.258

(39-0)

1.567

3.059

4.551

6.042

7.532

9.021

10.509

11.995

13.480

14.962

16.442

17.920

19.395

20.867

22.335

23.800

25.262

(27-0)

1.567

3.060

4.552

6.043

7.533

9.022

10.510

11.996

13.480

14.962

16.442

17.919

19.395

20.867

22.337

23.804

25.269

(38-0)

1.568

3.060

4.552

6.043

7.534

9.023

10.510

11.996

13.480

14.962

16.442

17.919

19.394

20.867

22.338

23.806

25.272

(26-0)

1.567

3.060

4.552

6.043

7.533

9.022

10.509

11.995

13.480

14.962

16.442

17.920

19.395

20.867

22.338

23.805

25.269

(37-0)

1.567

3.059

4.551

6.042

7.533

9.022

10.510

11.996

13.481

14.963

16.443

17.921

19.395

20.867

22.336

23.800

25.261

(25-0)

1.567

3.059

4.550

6.041

7.531

9.021

10.508

11.995

13.479

14.962

16.443

17.921

19.396

20.869

22.338

23.804

25.266

(36-0)

1.567

3.060

4.552

6.043

7.533

9.022

10.510

11.995

13.479

14.961

16.441

17.919

19.394

20.867

22.337

23.806

25.272

(24-0)

1.567

3.059

4.550

6.041

7.531

9.021

10.508

11.995

13.480

14.962

16.443

17.921

19.396

20.868

22.337

23.802

(35-0)

1.567

3.059

4.551

6.042

7.532

9.021

10.509

11.995

13.479

14.961

16.442

17.920

19.395

20.868

22.339

23.806

25.271

(23-0)

1.567

3.059

4.551

6.042

7.533

9.022

10.509

11.996

13.480

14.962

16.443

17.920

19.395

20.867

22.337

23.802

(34-0)

1.567

3.059

4.551

6.041

7.532

9.021

10.509

11.995

13.480

14.963

16.443

17.921

19.396

20.869

22.338

23.803

25.264

(22-0)d

1.568

3.060

4.552

6.044

7.534

9.023

10.511

11.997

13.481

14.963

16.442

17.920

19.394

20.866

22.335

23.801

a P and R branches blended from the band origin to P(60) and R(62).

P and R branches blended from the band origin to P(35) and

c P and R branches blended from the band origin to P(92) and R(95).

!63).

79

P and R branches blended from the band origin to P(59) and R(63).

tion to within 0.001 cm *, even though this requires in allcases many more significant figures than are physicallymeaningful.

As a consistency check on the rotational assignments inthis atlas, which as mentioned above were determined essen-tially by extending the calculated branches of Wei andTellinghuisen to higher / , we present in table 3 a set ofground state combination differences. These A2F"(J) valueswere calculated using v" — 0 parameters taken from theband-by-band least squares fits. Since measured I2 line-widths (FWHM) on the spectral figures are of the order of0.055 cm"1, we see that calculated interpolated combinationdifferences agree to 1/20 of the FWHM for J < 150 and to1/5 of the FWHM for higher / .

As a further consistency check, Dr. M. M. Hessel [12] haskindly least squares fit 5741 unblended lines assigned in thiswork to a 29-parameter Dunham expansion, obtaining anoverall standard deviation of 0.0042 cm"1. Such a fit intro-duces only one set of rotational constants for each vibrationallevel, and furthermore requires these rotational constants tovary smoothly with vibrational quantum number. The Dun-ham coefficients obtained are close to true molecular con-stants, but are not given here since the "best" values for suchconstants must be determined from a fit of the unblendedlines from the entire visible spectrum of I2, rather than from a1000 cm"1 portion.

Unfortunately, no independent support for the vibrationalassignments arose from the work for this atlas.

The authors are indebted to H. Stasko and M. Scire fortheir assistance with the data handling and preparation of thisatlas and to H. Stasko for valuable assistance with thephotography of the spectrum. We also wish to thank Dr. J.Reader for the use of his spectrograph.

4. References[1] Wei, J., and Tellinghuisen, J., J. Mol. Spectrosc. 50 , 317 (1974).[2] Steinfeld, J. I., Zare, R. N., Jones, L., Lesk, M., and Klemperer, W.,

J. Chem. Phys. 42 , 25 (1965).[3] Brown, R. L., and James, T. C , J. Chem. Phys. 42 , 33 (1965).[4] Gerstenkorn, S., Luc, P., and Perrin, A., J. Mol. Spectrosc, 64, 56

(1977).[5] Gerstenkorn, S., and Luc, P., private communication.[6] Reader, J., J. Opt. Soc. Am. 59, 1189 (1969).[7] Reader, J., Marquet, L. C , and Davis, S. P., Appl. Optics 2 , 963

(1963).[8] Reader, J., private communication.[9] Zalubas, R., private communication.

[10] Giacchetti, A., Stanley, R. W., and Zalubas, R., J. Opt. Soc. Am. 69,474 (1970).

[11] Maki, A. G., private communication.[12] Hessel, M. M., private communication.

(Paper 81A1-922)

80