Table S1 The data of the Hund's case (c) fit of the 0-0, 1-1, 0-1, and 1-0 bands of the B 4PI(5/2)–X 4DELTA(7/2) sub-band, and the 0-0 band of the A 4PHI(9/2)–X 4DELTA(7/2) sub-band of CoS ================================================================== OUTPUT FROM LAST LSQ PASS ~~~~~~~~~~~~~~~~~~~~~~~~~ STATE 1 (CASEC) STATE 1 Ground state 4DELTA (7/2) v=0 1 B 2.072059107480D-01 4.608D-08 2 D 1.334986115915D-07 1.542D-11 STATE 2 (CASEC) STATE 2 Ground state 4DELTA (7/2) v=1 3 E 5.145524416547D+02 3.091D-04 4 B 2.061387004330D-01 2.277D-07 5 D 1.339898541256D-07 7.893D-11 STATE 3 (CASEC) STATE 3 Excited state 4PHI (9/2) v=0 6 E 3.408921704135D+03 5.077D-04 7 B 1.991131509415D-01 1.082D-07 8 D 1.312038720938D-07 1.561D-11 STATE 4 (CASEC) STATE 4 Excited state 4PI (5/2) v=0 9 E 5.142735087359D+03 4.263D-04 10 B 1.985101456294D-01 3.913D-07 11 D 1.230150712594D-07 6.833D-11 12 PH 4.760061000431D-11 2.805D-12 13 PL -2.141004424245D-14 5.211D-16 STATE 5 (CASEC) STATE 5 Excited state 4PI (5/2) v=1 14 E 5.619556328012D+03 4.457D-04 15 B 1.974611171020D-01 7.128D-07 16 D 1.192478656595D-07 2.275D-10 17 PH 2.306970091991D-10 1.211D-11 18 PL -1.478229400503D-13 4.119D-15 FINAL VARIANCE 5.177004151345D-01 TABLE OF FITTED DATA ~~~~~~~~~~~~~~~~~~~~ Upper State = 1 STATE 1 Ground state 4DELTA (7/2) v=0 Lower State = 1 STATE 1 Ground state 4DELTA (7/2) v=0 J PAR J PAR OBS OMC SIG DIV # 17 f 16 f 6.83539439 -.00000190 .00000500 -.4 18 f 17 f 7.24934308 -.00000192 .00000500 -.4 19 f 18 f 7.66323569 -.00000195 .00000500 -.4 20 f 19 f 8.07706903 -.00000198 .00000500 -.4 30 f 29 f 12.21143847 -.00000136 .00000500 -.3 31 f 30 f 12.62440852 -.00000121 .00000500 -.2 36 f 35 f 14.68772901 -.00000034 .00000500 -.1 37 f 36 f 15.10006475 -.00000012 .00000500 .0 38 f 37 f 15.51228354 .00000010 .00000500 .0 39 f 38 f 15.92438222 .00000035 .00000500 .1 40 f 39 f 16.33635751 .00000057 .00000500 .1 41 f 40 f 16.74820628 .00000083 .00000500 .2 42 f 41 f 17.15992529 .00000108 .00000500 .2 43 f 42 f 17.57151134 .00000134 .00000500 .3 44 f 43 f 17.98296124 .00000162 .00000500 .3 Upper State = 2 STATE 2 Ground state 4DELTA (7/2) v=1 Lower State = 2 STATE 2 Ground state 4DELTA (7/2) v=1 J PAR J PAR OBS OMC SIG DIV # 36 f 35 f 14.61186775 -.00000176 .00000500 -.4 37 f 36 f 15.02206188 -.00000109 .00000500 -.2 38 f 37 f 15.43213869 -.00000036 .00000500 -.1 39 f 38 f 15.84209497 .00000043 .00000500 .1 41 f 40 f 16.66163310 .00000222 .00000500 .4 Upper State = 3 STATE 3 Excited state 4PHI (9/2) v=0 Lower State = 1 STATE 1 Ground state 4DELTA (7/2) v=0 J PAR J PAR OBS OMC SIG DIV # 12 f 11 f 3412.54762 .02428 .05000 .5 13 f 12 f 3412.75111 .01589 .05000 .3 14 f 13 f 3412.94655 .01567 .05000 .3 15 f 14 f 3413.12633 .01601 .05000 .3 16 f 15 f 3413.28266 .00913 .05000 .2 17 f 16 f 3413.43945 .01894 .05000 .4 18 f 17 f 3413.55994 .00868 .05000 .2 19 f 18 f 3413.68143 .01565 .05000 .3 20 f 19 f 3413.78540 .02134 .05000 .4 21 f 20 f 3413.88820 .04209 .05000 .8 22 f 21 f 3413.93450 .02258 .05000 .5 23 f 22 f 3413.98890 .02742 .05000 .5 24 f 23 f 3413.98890 -.00591 .05000 -.1 25 f 24 f 3413.98890 -.02298 .05000 -.5 26 f 25 f 3413.98890 -.02382 .05000 -.5 27 f 26 f 3413.98890 -.00840 .05000 -.2 28 f 27 f 3413.98890 .02327 .05000 .5 29 f 28 f 3413.93450 .01679 .05000 .3 30 f 29 f 3413.88820 .03466 .05000 .7 31 f 30 f 3413.78540 .01229 .05000 .2 32 f 31 f 3413.68143 .00500 .00500 1.0 33 f 32 f 3413.55994 -.00355 .00500 -.7 34 f 33 f 3413.43945 .00517 .00500 1.0 35 f 34 f 3413.28266 -.00616 .00500 -1.2 36 f 35 f 3413.12633 -.00076 .00500 -.2 37 f 36 f 3412.94655 -.00255 .00500 -.5 38 f 37 f 3412.75111 -.00374 .00500 -.7 39 f 38 f 3412.54762 .00329 .00500 .7 40 f 39 f 3412.31933 .00179 .00500 .4 41 f 40 f 3412.07584 .00135 .00500 .3 42 f 41 f 3411.81707 .00191 .00500 .4 43 f 42 f 3411.53969 .00012 .00500 .0 44 f 43 f 3411.24548 -.00222 .00500 -.4 45 f 44 f 3410.93449 -.00508 .00500 -1.0 46 f 45 f 3410.61667 .00151 .00500 .3 47 f 46 f 3410.27588 .00140 .00500 .3 48 f 47 f 3409.91310 -.00442 .00500 -.9 49 f 48 f 3409.54422 -.00007 .00500 .0 50 f 49 f 3409.15350 -.00129 .00500 -.3 51 f 50 f 3408.75121 .00220 .00500 .4 52 f 51 f 3408.32850 .00155 .00500 .3 53 f 52 f 3407.89251 .00389 .00500 .8 54 f 53 f 3407.43558 .00157 .00500 .3 55 f 54 f 3406.96262 -.00051 .00500 -.1 56 f 55 f 3406.47598 .00002 .00500 .0 57 f 56 f 3405.97460 .00207 .00500 .4 58 f 57 f 3405.45206 -.00075 .00500 -.2 59 f 58 f 3404.91877 .00195 .00500 .4 60 f 59 f 3404.36422 -.00033 .00500 -.1 61 f 60 f 3403.80116 .00516 .00500 1.0 62 f 61 f 3403.20826 -.00292 .00500 -.6 63 f 62 f 3402.60180 -.00828 .00500 -1.7 64 f 63 f 3401.99288 .00018 .00500 .0 65 f 64 f 3401.35950 .00045 .00500 .1 66 f 65 f 3400.70907 -.00005 .00500 .0 67 f 66 f 3400.04738 .00447 .00500 .9 68 f 67 f 3399.36150 .00107 .00500 .2 69 f 68 f 3398.65861 -.00307 .00500 -.6 70 f 69 f 3397.94443 -.00222 .00500 -.4 71 f 70 f 3397.21535 72 f 71 f 3396.46413 -.00365 .00500 -.7 73 f 72 f 3395.70856 .00463 .00500 .9 74 f 73 f 3394.92363 -.00019 .00500 .0 75 f 74 f 3394.12746 .00003 .00500 .0 76 f 75 f 3393.31478 77 f 76 f 3392.49260 .00675 .00500 1.3 78 f 77 f 3391.64097 .00031 .00500 .1 79 f 78 f 3390.78296 .00376 .00500 .8 80 f 79 f 3389.90778 .00630 .00500 1.3 81 f 80 f 3389.01044 .00295 .00500 .6 82 f 81 f 3388.09341 -.00383 .00500 -.8 83 f 82 f 3387.17666 .00593 .00500 1.2 84 f 83 f 3386.21740 -.01056 1.00000 .0 85 f 84 f 3385.26893 86 f 85 f 3384.30022 .00658 .00500 1.3 87 f 86 f 3383.30727 .00517 .00500 1.0 88 f 87 f 3382.29993 .00563 .00500 1.1 89 f 88 f 3381.26849 -.00176 .00500 -.4 90 f 89 f 3380.23098 .00103 .00500 .2 91 f 90 f 3379.17379 .00039 .00500 .1 92 f 91 f 3378.10215 .00155 .00500 .3 93 f 92 f 3377.01370 .00214 .00500 .4 94 f 93 f 3375.90680 .00053 .00500 .1 95 f 94 f 3374.78003 -.00471 .00500 -.9 96 f 95 f 3373.65501 .00804 .00500 1.6 97 f 96 f 3372.49358 .00061 .00500 .1 98 f 97 f 3371.32253 -.00020 .00500 .0 99 f 98 f 3370.13855 .00230 .00500 .5 100 f 99 f 3368.93382 .00028 .00500 .1 101 f 100 f 3367.71741 .00280 .00500 .6 102 f 101 f 3366.47990 .00045 .00500 .1 103 f 102 f 3365.23508 .00702 .00500 1.4 104 f 103 f 3363.96415 .00370 .00500 .7 105 f 104 f 3362.67407 -.00255 .00500 -.5 106 f 105 f 3361.37480 -.00178 .00500 -.4 107 f 106 f 3360.06231 .00199 .00500 .4 108 f 107 f 3358.72272 -.00513 .00500 -1.0 109 f 108 f 3357.38013 .00096 .00500 .2 110 f 109 f 3356.00960 -.00469 .00500 -.9 111 f 110 f 3354.61654 -.01666 1.00000 .0 112 f 111 f 3353.22445 -.01146 1.00000 .0 113 f 112 f 3351.82445 .00202 .00500 .4 114 f 113 f 3350.38857 -.00418 .00500 -.8 115 f 114 f 3348.94325 -.00363 .00500 -.7 116 f 115 f 3347.47927 -.00555 .00500 -1.1 117 f 116 f 3346.00614 -.00043 .00500 -.1 118 f 117 f 3344.51491 .00276 .00500 .6 119 f 118 f 3342.99614 -.00540 .00500 -1.1 120 f 119 f 3341.47313 -.00163 .00500 -.3 121 f 120 f 3339.92817 -.00364 .00500 -.7 122 f 121 f 3338.37401 .00132 .00500 .3 123 f 122 f 3336.79699 -.00042 .00500 -.1 124 f 123 f 3335.20790 .00194 .00500 .4 125 f 124 f 3333.59937 .00101 .00500 .2 126 f 125 f 3331.96501 -.00959 .00500 -1.9 127 f 126 f 3330.32956 -.00513 .00500 -1.0 128 f 127 f 3328.67802 -.00061 .00500 -.1 129 f 128 f 3327.00317 -.00326 .00500 -.7 130 f 129 f 3325.31910 .00100 .00500 .2 131 f 130 f 3323.60830 -.00533 .00500 -1.1 132 f 131 f 3321.89564 .00262 .00500 .5 133 f 132 f 3320.15421 -.00208 .00500 -.4 134 f 133 f 3318.40507 .00163 .00500 .3 135 f 134 f 3316.63691 .00244 .00500 .5 136 f 135 f 3314.84255 -.00683 .00500 -1.4 137 f 136 f 3313.03973 -.00845 .00500 -1.7 138 f 137 f 3311.22694 -.00394 .00500 -.8 139 f 138 f 3309.39184 -.00563 .00500 -1.1 140 f 139 f 3307.54760 -.00037 .00500 -.1 141 f 140 f 3305.68819 .00581 1.00000 .0 142 f 141 f 3303.79459 -.00610 .00500 -1.2 143 f 142 f 3301.89479 -.00814 .00500 -1.6 144 f 143 f 3299.98309 -.00599 .00500 -1.2 145 f 144 f 3298.03687 -.02229 1.00000 .0 146 f 145 f 3296.11340 .00023 .00500 .0 147 f 146 f 3294.13992 -.01120 1.00500 .0 148 f 147 f 3292.16093 -.01207 1.00500 .0 149 f 148 f 3290.17635 -.00248 .00500 -.5 150 f 149 f 3288.17255 .00393 .00500 .8 151 f 150 f 3286.13342 -.00893 .00500 -1.8 152 f 151 f 3284.11326 .01321 1.00000 .0 153 f 152 f 3282.02407 -.01764 1.00000 .0 154 f 153 f 3279.96397 -.00337 .00500 -.7 155 f 154 f 3277.87426 -.00269 .00500 -.5 156 f 155 f 3275.76929 -.00125 .00500 -.2 157 f 156 f 3273.63613 -.01198 1.00500 .0 158 f 157 f 3271.51199 .00231 .00500 .5 159 f 158 f 3269.33730 -.01795 1.00000 .0 160 f 159 f 3267.17686 -.00795 .00500 -1.6 161 f 160 f 3264.98409 -.01430 1.00500 .0 162 f 161 f 3262.79701 .00103 .00500 .2 163 f 162 f 3260.56988 -.00771 .00500 -1.5 164 f 163 f 3258.33907 -.00415 .00500 -.8 12 f 12 f 3407.71780 -.04062 .05000 -.8 13 f 13 f 3407.51908 -.03704 .05000 -.7 14 f 14 f 3407.30992 -.02771 .05000 -.6 15 f 15 f 3407.08657 -.01640 .05000 -.3 16 f 16 f 3406.83549 -.01664 .05000 -.3 18 f 18 f 3406.27933 -.02258 .05000 -.5 19 f 19 f 3405.97460 -.02794 .05000 -.6 20 f 20 f 3405.67567 -.01132 .05000 -.2 21 f 21 f 3405.34628 -.00899 .05000 -.2 22 f 22 f 3404.98128 -.02609 .05000 -.5 23 f 23 f 3404.62460 -.01870 .05000 -.4 24 f 24 f 3404.26565 .00259 .05000 .1 25 f 25 f 3403.84566 -.02099 .05000 -.4 26 f 26 f 3403.45827 .00420 .00500 .8 27 f 27 f 3403.02159 -.00373 .00500 -.7 28 f 28 f 3402.60180 .02139 1.00000 .0 29 f 29 f 3402.11411 -.00523 .00500 -1.0 30 f 30 f 3401.64318 .00108 .00500 .2 31 f 31 f 3401.15243 .00373 .00500 .7 32 f 32 f 3400.64141 .00226 .00500 .5 33 f 33 f 3400.10920 -.00423 .00500 -.8 34 f 34 f 3399.57253 .00097 .00500 .2 35 f 35 f 3399.01365 .00011 .00500 .0 36 f 36 f 3398.43790 -.00146 .00500 -.3 37 f 37 f 3397.85080 .00176 .00500 .4 38 f 38 f 3397.22855 -.01402 1.00000 .0 39 f 39 f 3396.62228 .00233 .00500 .5 40 f 40 f 3395.98416 .00298 .00500 .6 41 f 41 f 3395.32793 .00165 .00500 .3 42 f 42 f 3394.65492 -.00032 .00500 -.1 43 f 43 f 3393.96942 .00136 .00500 .3 44 f 44 f 3393.27778 .01304 1.00000 .0 45 f 45 f 3392.54948 .00418 .00500 .8 46 f 46 f 3391.80723 -.00249 .00500 -.5 47 f 47 f 3391.05819 .00017 .00500 .0 48 f 48 f 3390.29080 .00061 .00500 .1 49 f 49 f 3389.50471 -.00153 .00500 -.3 50 f 50 f 3388.70769 .00152 .00500 .3 51 f 51 f 3387.88865 -.00133 .00500 -.3 52 f 52 f 3387.05565 -.00203 .00500 -.4 53 f 53 f 3386.21740 .00813 .00500 1.6 54 f 54 f 3385.34357 -.00118 .00500 -.2 55 f 55 f 3384.46400 -.00012 .00500 .0 56 f 56 f 3383.56770 .00030 .00500 .1 57 f 57 f 3382.65405 -.00052 .00500 -.1 58 f 58 f 3381.72957 .00392 .00500 .8 59 f 59 f 3380.77739 -.00324 .00500 -.6 60 f 60 f 3379.82055 .00102 .00500 .2 61 f 61 f 3378.84147 -.00087 .00500 -.2 62 f 62 f 3377.85092 .00186 .00500 .4 63 f 63 f 3376.84104 .00133 .00500 .3 64 f 64 f 3375.81384 -.00044 .00500 -.1 65 f 65 f 3374.78003 .00726 .00500 1.5 66 f 66 f 3373.71956 .00436 .00500 .9 67 f 67 f 3372.63482 -.00674 .00500 -1.3 68 f 68 f 3371.55425 .00238 .00500 .5 69 f 69 f 3370.44788 .00177 .00500 .4 70 f 70 f 3369.32365 -.00065 .00500 -.1 71 f 71 f 3368.18557 -.00086 .00500 -.2 72 f 72 f 3367.03030 -.00222 .00500 -.4 73 f 73 f 3365.86221 -.00036 .00500 -.1 74 f 74 f 3364.67779 .00121 .00500 .2 75 f 75 f 3363.47245 -.00210 .00500 -.4 76 f 76 f 3362.25406 -.00244 .00500 -.5 77 f 77 f 3361.02460 .00219 .00500 .4 78 f 78 f 3359.77298 .00067 .00500 .1 79 f 79 f 3358.50362 -.00257 .00500 -.5 80 f 80 f 3357.22496 .00091 .00500 .2 81 f 81 f 3355.92896 .00306 .00500 .6 82 f 82 f 3354.61654 .00479 .00500 1.0 83 f 83 f 3353.28445 .00285 .00500 .6 84 f 84 f 3351.93352 -.00193 .00500 -.4 85 f 85 f 3350.57240 -.00092 .00500 -.2 86 f 86 f 3349.20267 .00748 .00500 1.5 87 f 87 f 3347.79723 -.00385 .00500 -.8 88 f 88 f 3346.38995 -.00105 .00500 -.2 89 f 89 f 3344.95854 -.00640 .00500 -1.3 90 f 90 f 3343.52520 .00228 .00500 .5 91 f 91 f 3342.06553 .00059 .00500 .1 92 f 92 f 3340.59113 .00014 .00500 .0 93 f 93 f 3339.10062 -.00048 .00500 -.1 94 f 94 f 3337.59468 -.00057 .00500 -.1 95 f 95 f 3336.07124 -.00223 .00500 -.4 96 f 96 f 3334.53575 97 f 97 f 3332.98273 .00064 .00500 .1 98 f 98 f 3331.41212 -.00039 .00500 -.1 99 f 99 f 3329.82566 -.00135 .00500 -.3 100 f 100 f 3328.22500 -.00059 .00500 -.1 101 f 101 f 3326.60632 -.00194 .00500 -.4 102 f 102 f 3324.97516 .00013 .00500 .0 103 f 103 f 3323.32624 .00034 .00500 .1 104 f 104 f 3321.66241 .00153 .00500 .3 105 f 105 f 3319.97804 -.00192 .00500 -.4 106 f 106 f 3318.28383 .00066 .00500 .1 107 f 107 f 3316.57190 .00140 .00500 .3 108 f 108 f 3314.84255 .00059 .00500 .1 109 f 109 f 3313.09877 .00121 .00500 .2 110 f 110 f 3311.33846 .00117 .00500 .2 111 f 111 f 3309.56280 .00162 .00500 .3 112 f 112 f 3307.76951 .00029 .00500 .1 113 f 113 f 3305.96014 -.00127 .00500 -.3 114 f 114 f 3304.13889 .00111 .00500 .2 115 f 115 f 3302.29737 -.00095 .00500 -.2 116 f 116 f 3300.44194 -.00109 .00500 -.2 117 f 117 f 3298.57617 .00424 .00500 .8 118 f 118 f 3296.68417 -.00085 .00500 -.2 119 f 119 f 3294.78284 .00053 .00500 .1 120 f 120 f 3292.86374 -.00007 .00500 .0 121 f 121 f 3290.93341 .00390 .00500 .8 122 f 122 f 3288.98221 .00278 .00500 .6 123 f 123 f 3287.01067 -.00291 .00500 -.6 124 f 124 f 3285.03080 -.00116 .00500 -.2 125 f 125 f 3283.03471 .00013 .00500 .0 126 f 126 f 3281.02164 .00020 .00500 .0 127 f 127 f 3278.99255 128 f 128 f 3276.94749 -.00043 .00500 -.1 129 f 129 f 3274.89144 .00388 .00500 .8 130 f 130 f 3272.80724 -.00423 .00500 -.8 131 f 131 f 3270.71917 -.00049 .00500 -.1 132 f 132 f 3268.61230 .00017 .00500 .0 133 f 133 f 3266.48890 134 f 134 f 3264.35355 .00357 .00500 .7 135 f 135 f 3262.19664 .00128 .00500 .3 136 f 136 f 3260.02742 .00236 .00500 .5 137 f 137 f 3257.84024 .00116 .00500 .2 138 f 138 f 3255.64170 .00427 .00500 .9 139 f 139 f 3253.41910 -.00102 .00500 -.2 140 f 140 f 3251.18877 .00161 .00500 .3 141 f 141 f 3248.94938 .01083 1.00500 .0 142 f 142 f 3246.67671 .00240 .00500 .5 143 f 143 f 3244.39140 -.00303 .00500 -.6 144 f 144 f 3242.09964 .00071 .00500 .1 145 f 145 f 3239.79384 .00602 .00500 1.2 146 f 146 f 3237.46305 .00195 .00500 .4 147 f 147 f 3235.11461 -.00417 .00500 -.8 148 f 148 f 3232.76369 .00282 .00500 .6 149 f 149 f 3230.37789 -.00949 1.00000 .0 150 f 150 f 3228.00209 .00377 .00500 .8 151 f 151 f 3225.59251 -.00118 .00500 -.2 152 f 152 f 3223.18020 .00670 .00500 1.3 153 f 153 f 3220.74031 .00255 .00500 .5 154 f 154 f 3218.28345 -.00303 .00500 -.6 155 f 155 f 3215.81685 -.00282 .00500 -.6 156 f 156 f 3213.34175 .00441 .00500 .9 157 f 157 f 3210.83804 -.00144 .00500 -.3 158 f 158 f 3208.33354 .00741 .00500 1.5 159 f 159 f 3205.79947 .00220 .00500 .4 160 f 160 f 3203.25399 .00106 .00500 .2 161 f 161 f 3200.69941 .00631 .00500 1.3 162 f 162 f 3198.11216 -.00565 .00500 -1.1 163 f 163 f 3195.53413 .00708 .00500 1.4 164 f 164 f 3192.93460 .01377 1.00000 .0 165 f 165 f 3190.30305 .00388 .00500 .8 166 f 166 f 3187.66523 .00315 .00500 .6 12 f 13 f 3402.60180 .02249 .05000 .4 13 f 14 f 3401.99288 .03001 .05000 .6 14 f 15 f 3401.35950 .02921 .05000 .6 15 f 16 f 3400.70907 .02749 .05000 .5 16 f 17 f 3400.04738 .03065 .05000 .6 17 f 18 f 3399.36150 .02573 .05000 .5 18 f 19 f 3398.65861 .01993 .05000 .4 19 f 20 f 3397.94443 .01896 .05000 .4 21 f 22 f 3396.46413 .01341 .05000 .3 22 f 23 f 3395.70856 .01937 .05000 .4 23 f 24 f 3394.92363 .01208 .05000 .2 24 f 25 f 3394.12746 .00964 .05000 .2 26 f 27 f 3392.49260 .01051 .05000 .2 27 f 28 f 3391.64097 .00087 .05000 .0 28 f 29 f 3390.78296 .00092 .05000 .0 29 f 30 f 3389.90778 -.00012 .05000 .0 30 f 31 f 3389.01044 -.00725 .05000 -.1 31 f 32 f 3388.09341 -.01801 .05000 -.4 32 f 33 f 3387.17666 -.01243 .05000 -.2 38 f 39 f 3381.30732 -.01086 .05000 -.2 39 f 40 f 3380.28313 -.00046 .00500 -.1 40 f 41 f 3379.22490 -.00808 .00500 -1.6 41 f 42 f 3378.15792 -.00844 .00500 -1.7 42 f 43 f 3377.07238 -.01135 1.00500 .0 43 f 44 f 3375.99496 .00986 1.00000 .0 44 f 45 f 3374.87023 -.00024 .00500 .0 45 f 46 f 3373.71956 -.02030 1.00000 .0 46 f 47 f 3372.58758 -.00568 .00500 -1.1 47 f 48 f 3371.42023 -.01045 1.00500 .0 48 f 49 f 3370.24921 -.00292 .00500 -.6 49 f 50 f 3369.05064 -.00698 .00500 -1.4 50 f 51 f 3367.84492 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.00500 .6 43 e 44 e 5583.59949 -.00377 .00500 -.8 45 e 46 e 5581.06660 -.00561 .00500 -1.1 46 e 47 e 5579.77512 -.00254 .00500 -.5 47 e 48 e 5578.46993 .00621 .00500 1.2 48 e 49 e 5577.12849 -.00185 .00500 -.4 49 e 50 e 5575.79559 .01810 1.00000 .0 50 e 51 e 5574.39485 -.01026 1.00500 .0 51 e 52 e 5573.00881 -.00434 .00500 -.9 52 e 53 e 5571.60464 .00310 .00500 .6 53 e 54 e 5570.17517 .00495 .00500 1.0 54 e 55 e 5568.72101 .00191 .00500 .4 55 e 56 e 5567.26800 .01989 1.00000 .0 56 e 57 e 5565.74411 -.01303 1.00000 .0 57 e 58 e 5564.24104 -.00505 .00500 -1.0 58 e 59 e 5562.70858 -.00627 .00500 -1.3 9 e 8 e 5622.29746 .00576 .00500 1.2 10 e 9 e 5622.55309 .03219 10.00500 .0 11 e 10 e 5622.73371 .00313 .00500 .6 13 e 12 e 5623.08331 -.00814 .00500 -1.6 14 e 13 e 5623.24942 .00679 .00500 1.4 15 e 14 e 5623.37545 .00112 .00500 .2 16 e 15 e 5623.53660 .05008 1.00000 .1 18 e 17 e 5623.66242 .00996 .01500 .7 20 e 19 e 5623.73295 -.00752 .01500 -.5 21 e 20 e 5623.73295 -.02231 1.00000 .0 22 e 21 e 5623.73295 -.01763 .01500 -1.2 23 e 22 e 5623.73295 .00652 .01500 .4 24 e 23 e 5623.66242 -.02039 1.00000 .0 26 e 25 e 5623.53660 -.00062 .00500 -.1 27 e 26 e 5623.43584 .00060 .00500 .1 28 e 27 e 5623.30565 -.00816 .00500 -1.6 29 e 28 e 5623.17380 .00087 .00500 .2 30 e 29 e 5623.01494 .00233 .00500 .5 31 e 30 e 5622.83441 .00156 .00500 .3 32 e 31 e 5622.62291 -.01073 1.00000 .0 33 e 32 e 5622.41107 -.00392 .00500 -.8 34 e 33 e 5622.17548 -.00142 .00500 -.3 35 e 34 e 5621.92264 .00329 .00500 .7 36 e 35 e 5621.64020 -.00215 .00500 -.4 37 e 36 e 5621.33701 -.00888 .00500 -1.8 38 e 37 e 5621.03320 .00325 .00500 .6 39 e 38 e 5620.69386 -.00068 .00500 -.1 40 e 39 e 5620.34108 .00146 .00500 .3 41 e 40 e 5619.96770 .00250 .00500 .5 42 e 41 e 5619.57666 .00542 .00500 1.1 43 e 42 e 5619.16421 .00649 .00500 1.3 44 e 43 e 5618.74994 .02531 1.00000 .0 45 e 44 e 5618.28018 .00826 .00500 1.7 46 e 45 e 5617.80745 .00789 .00500 1.6 49 e 48 e 5616.27229 .00813 .00500 1.6 51 e 50 e 5615.14042 -.00102 .00500 -.2 52 e 51 e 5614.54785 -.00231 .00500 -.5 53 e 52 e 5613.93655 -.00228 .00500 -.5 54 e 53 e 5613.30966 .00230 .00500 .5 55 e 54 e 5612.66276 .00709 .00500 1.4 56 e 55 e 5611.99419 .01053 .01500 .7 57 e 56 e 5611.28437 -.00684 .00500 -1.4 4 f 4 e 5619.41367 .01082 .01500 .7 5 f 5 e 5619.33539 .02024 1.00000 .0 6 f 6 e 5619.22344 .01547 .01500 1.0 7 f 7 e 5619.08639 .00509 .00500 1.0 8 f 8 e 5618.93740 .00225 .00500 .4 9 f 9 e 5618.74994 -.01958 .01500 -1.3 10 f 10 e 5618.58169 -.00273 .00500 -.5 11 f 11 e 5618.38135 .00152 .00500 .3 12 f 12 e 5618.15322 -.00256 .00500 -.5 13 f 13 e 5617.91388 .00162 .00500 .3 14 f 14 e 5617.65240 .00312 .00500 .6 15 f 15 e 5617.35770 -.00913 .00500 -1.8 16 f 16 e 5617.05706 -.00787 .00500 -1.6 17 f 17 e 5616.74419 .00062 .00500 .1 18 f 18 e 5616.40482 .00205 .00500 .4 19 f 19 e 5616.03939 -.00314 .00500 -.6 20 f 20 e 5615.66789 .00504 .00500 1.0 21 f 21 e 5615.25975 -.00399 .00500 -.8 22 f 22 e 5614.84061 -.00460 .00500 -.9 23 f 23 e 5614.40601 -.00125 .00500 -.3 24 f 24 e 5613.93655 -.01336 .01500 -.9 25 f 25 e 5613.46879 -.00437 .00500 -.9 26 f 26 e 5612.97587 -.00114 .00500 -.2 27 f 27 e 5612.46026 -.00124 .00500 -.2 28 f 28 e 5611.92593 -.00068 .00500 -.1 29 f 29 e 5611.37191 -.00047 .00500 -.1 30 f 30 e 5610.79784 -.00096 .00500 -.2 31 f 31 e 5610.21203 .00613 .00500 1.2 32 f 32 e 5609.59446 .00076 .00500 .2 33 f 33 e 5608.96412 .00191 .00500 .4 34 f 34 e 5608.30776 -.00370 .00500 -.7 35 f 35 e 5607.64091 -.00056 .00500 -.1 36 f 36 e 5606.94093 -.01133 1.00000 .0 37 f 37 e 5606.24181 -.00205 .00500 -.4 38 f 38 e 5605.51428 -.00202 .00500 -.4 39 f 39 e 5604.77038 .00075 .00500 .2 40 f 40 e 5604.00234 -.00152 .00500 -.3 41 f 41 e 5603.21976 .00071 .00500 .1 42 f 42 e 5602.41456 -.00068 .00500 -.1 43 f 43 e 5601.59176 -.00072 .00500 -.1 43 f 43 e 5601.59176 -.00072 .00500 -.1 44 f 44 e 5600.74845 -.00237 .00500 -.5 45 f 45 e 5599.88472 -.00559 .00500 -1.1 46 f 46 e 5599.01127 .00024 .00500 .0 47 f 47 e 5598.10999 -.00304 .00500 -.6 49 f 49 e 5596.27091 .00971 .01500 .6 50 f 50 e 5595.31647 .00894 .01500 .6 51 f 51 e 5594.34676 .01128 .01500 .8 52 f 52 e 5593.35364 .00849 .01500 .6 53 f 53 e 5592.34639 .00974 .01500 .6 54 f 54 e 5591.31689 .00679 .00500 1.4 55 f 55 e 5590.26629 .00067 .00500 .1 56 f 56 e 5589.20213 -.00121 .00500 -.2 57 f 57 e 5588.11155 -.01187 .01500 -.8 58 f 58 e 5587.01851 -.00750 .00500 -1.5 4 e 4 f 5619.41367 .01082 1.00000 .0 5 e 5 f 5619.33539 .02024 1.00000 .0 6 e 6 f 5619.22344 .01547 1.00000 .0 7 e 7 f 5619.08639 .00508 .00500 1.0 8 e 8 f 5618.93740 .00224 .00500 .4 9 e 9 f 5618.74994 -.01960 1.00000 .0 10 e 10 f 5618.58169 -.00275 .00500 -.5 11 e 11 f 5618.38135 .00148 .00500 .3 12 e 12 f 5618.15322 -.00261 .00500 -.5 13 e 13 f 5617.91388 .00154 .00500 .3 14 e 14 f 5617.65240 .00302 .00500 .6 15 e 15 f 5617.35770 -.00928 .00500 -1.9 16 e 16 f 5617.05706 -.00807 .00500 -1.6 17 e 17 f 5616.74419 .00035 .00500 .1 18 e 18 f 5616.40482 .00170 .00500 .3 19 e 19 f 5616.03939 -.00358 .00500 -.7 20 e 20 f 5615.66789 .00449 .00500 .9 21 e 21 f 5615.25975 -.00467 .00500 -.9 22 e 22 f 5614.84061 -.00542 .00500 -1.1 23 e 23 f 5614.40601 -.00223 .00500 -.4 24 e 24 f 5613.93655 -.01452 1.00000 .0 25 e 25 f 5613.46879 -.00572 .00500 -1.1 26 e 26 f 5612.97587 -.00270 .00500 -.5 27 e 27 f 5612.46026 -.00300 .00500 -.6 28 e 28 f 5611.92593 -.00266 .00500 -.5 29 e 29 f 5611.37191 -.00265 .00500 -.5 30 e 30 f 5610.79784 -.00333 .00500 -.7 31 e 31 f 5610.21203 .00359 .00500 .7 32 e 32 f 5609.59446 -.00190 .00500 -.4 33 e 33 f 5608.96412 -.00082 .00500 -.2 34 e 34 f 5608.30776 -.00642 .00500 -1.3 35 e 35 f 5607.64091 -.00316 .00500 -.6 36 e 36 f 5606.94093 -.01369 1.00000 .0 37 e 37 f 5606.24181 -.00401 .00500 -.8 38 e 38 f 5605.51428 -.00339 .00500 -.7 39 e 39 f 5604.77038 .00023 .00500 .0 40 e 40 f 5604.00234 -.00093 .00500 -.2 41 e 41 f 5603.21976 .00277 .00500 .6 42 e 42 f 5602.41456 .00324 .00500 .6 43 e 43 f 5601.59176 .00555 .00500 1.1 43 e 43 f 5601.59176 .00555 .00500 1.1 44 e 44 f 5600.74845 .00678 .00500 1.4 45 e 45 f 5599.88472 .00707 .00500 1.4 46 e 46 f 5599.01127 .01715 .01500 1.1 47 e 47 f 5598.10999 .01894 .01500 1.3 48 e 48 f 5597.16685 -.00154 .00500 -.3 49 e 49 f 5596.21975 -.00635 .00500 -1.3 50 e 50 f 5595.26073 -.00340 .00500 -.7 51 e 51 f 5594.28561 .00319 .00500 .6 52 e 52 f 5593.28031 -.00058 .00500 -.1 53 e 53 f 5592.25915 -.00033 .00500 -.1 54 e 54 f 5591.21729 -.00081 .00500 -.2 55 e 55 f 5590.15372 -.00295 .00500 -.6 56 e 56 f 5589.07621 .00112 .00500 .2 57 e 57 f 5587.97234 -.00091 .00500 -.2 58 e 58 f 5586.84692 -.00412 .00500 -.8 Upper State = 5 STATE 5 Excited state 4PI (5/2) v=1 Lower State = 2 STATE 2 Ground state 4DELTA (7/2) v=1 J PAR J PAR OBS OMC SIG DIV # 31 f 30 f 5109.24687 .00838 .00500 1.7 32 f 31 f 5109.10933 .00501 .00500 1.0 33 f 32 f 5108.96503 .01213 1.00500 .0 34 f 33 f 5108.78696 .00271 .00500 .5 35 f 34 f 5108.62299 .02460 1.00500 .0 36 f 35 f 5108.39924 .00389 .00500 .8 37 f 36 f 5108.16379 -.01135 1.00500 .0 38 f 37 f 5107.93951 .00170 .00500 .3 39 f 38 f 5107.67916 -.00422 .00500 -.8 41 f 40 f 5107.12762 .00428 .00500 .9 42 f 41 f 5106.82916 .01133 1.00500 .0 43 f 42 f 5106.51213 .01676 1.00500 .0 44 f 43 f 5106.16014 .00412 1.00500 .0 16 f 17 f 5095.98115 -.00414 .00500 -.8 17 f 18 f 5095.28548 -.00187 .00500 -.4 18 f 19 f 5094.57414 .00199 .00500 .4 19 f 20 f 5093.84391 .00420 .00500 .8 20 f 21 f 5093.08612 -.00391 .00500 -.8 21 f 22 f 5092.33055 .00742 .00500 1.5 22 f 23 f 5091.53040 -.00861 .00500 -1.7 23 f 24 f 5090.73753 -.00015 .00500 .0 24 f 25 f 5089.92429 .00513 .00500 1.0 25 f 26 f 5089.08099 -.00247 .00500 -.5 27 f 28 f 5087.35487 -.00569 .00500 -1.1 28 f 29 f 5086.47168 -.00172 .00500 -.3 29 f 30 f 5085.56970 .00059 .00500 .1 30 f 31 f 5084.64952 .00180 .00500 .4 31 f 32 f 5083.70935 .00010 .00500 .0 32 f 33 f 5082.75556 .00185 .00500 .4 33 f 34 f 5081.76421 -.01692 1.00500 .0 34 f 35 f 5080.78732 -.00422 .00500 -.8 35 f 36 f 5079.81161 .02665 1.00500 .0 36 f 37 f 5078.77108 .00967 1.00500 .0 37 f 38 f 5077.71034 -.01060 1.00500 .0 38 f 39 f 5076.66896 .00538 .00500 1.1 39 f 40 f 5075.59068 .00133 .00500 .3 40 f 41 f 5074.50231 .00399 .00500 .8 41 f 42 f 5073.38837 -.00214 .00500 -.4 42 f 43 f 5072.26403 -.00195 .00500 -.4 43 f 44 f 5071.12125 -.00352 .00500 -.7 31 e 30 e 5109.24687 .00584 .00500 1.2 32 e 31 e 5109.10933 .00235 .00500 .5 33 e 32 e 5108.96503 .00941 1.00500 .0 34 e 33 e 5108.78696 .00000 .00500 .0 35 e 34 e 5108.62299 .02200 1.00500 .0 36 e 35 e 5108.39924 .00153 .00500 .3 37 e 36 e 5108.16379 -.01332 1.00500 .0 38 e 37 e 5107.93951 .00033 .00500 .1 39 e 38 e 5107.67916 -.00474 .00500 -.9 41 e 40 e 5107.12762 .00634 .00500 1.3 42 e 41 e 5106.82916 .01526 1.00500 .0 43 e 42 e 5106.51213 .02303 1.00500 .0 44 e 43 e 5106.16014 .01327 1.00500 .0 16 e 17 e 5095.98115 -.00434 .00500 -.9 17 e 18 e 5095.28548 -.00213 .00500 -.4 18 e 19 e 5094.57414 .00164 .00500 .3 19 e 20 e 5093.84391 .00376 .00500 .8 20 e 21 e 5093.08612 -.00446 .00500 -.9 21 e 22 e 5092.33055 .00674 .00500 1.3 22 e 23 e 5091.53040 -.00943 .00500 -1.9 23 e 24 e 5090.73753 -.00113 .00500 -.2 24 e 25 e 5089.92429 .00397 .00500 .8 25 e 26 e 5089.08099 -.00382 .00500 -.8 27 e 28 e 5087.35487 -.00746 .00500 -1.5 28 e 29 e 5086.47168 -.00369 .00500 -.7 29 e 30 e 5085.56970 -.00160 .00500 -.3 30 e 31 e 5084.64952 -.00058 .00500 -.1 31 e 32 e 5083.70935 -.00244 .00500 -.5 32 e 33 e 5082.75556 -.00081 .00500 -.2 33 e 34 e 5081.76421 -.01965 1.00500 .0 34 e 35 e 5080.78732 -.00694 .00500 -1.4 35 e 36 e 5079.81161 .02405 1.00500 .0 36 e 37 e 5078.77108 .00730 1.00500 .0 37 e 38 e 5077.71034 -.01257 1.00500 .0 38 e 39 e 5076.66896 .00402 .00500 .8 39 e 40 e 5075.59068 .00080 .00500 .2 40 e 41 e 5074.50231 .00459 .00500 .9 41 e 42 e 5073.38837 -.00008 .00500 .0 42 e 43 e 5072.26403 .00198 .00500 .4 43 e 44 e 5071.12125 .00274 .00500 .5 9 f 9 e 5104.31337 .01011 .00500 2.0 * 10 f 10 e 5104.14312 .00469 .00500 .9 11 f 11 e 5103.95466 -.00161 .00500 -.3 12 f 12 e 5103.76181 .00505 .00500 1.0 13 f 13 e 5103.53816 -.00177 .00500 -.4 14 f 14 e 5103.31118 .00542 .00500 1.1 15 f 15 e 5103.05044 -.00383 .00500 -.8 16 f 16 e 5102.79554 .01008 .00500 2.0 * 17 f 17 e 5102.50799 .00866 .00500 1.7 18 f 18 e 5102.19045 -.00544 .00500 -1.1 19 f 19 e 5101.86418 -.01097 1.00500 .0 20 f 20 e 5101.52796 -.00914 1.00500 .0 21 f 21 e 5101.18601 .00424 .00500 .8 22 f 22 e 5100.80647 -.00268 .00500 -.5 23 f 23 e 5100.43391 .01467 1.00500 .0 24 f 24 e 5100.01117 -.00091 .00500 -.2 25 f 25 e 5099.58398 -.00366 .00500 -.7 26 f 26 e 5099.12426 -.02170 1.00500 .0 27 f 27 e 5098.67932 -.00772 .00500 -1.5 28 f 28 e 5098.21204 .00114 .00500 .2 29 f 29 e 5097.71725 -.00029 .00500 -.1 30 f 30 e 5097.20741 .00043 .00500 .1 32 f 32 e 5096.13509 .00076 .00500 .2 33 f 33 e 5095.57420 .00192 .00500 .4 34 f 34 e 5094.97623 -.01687 1.00500 .0 35 f 35 e 5094.39801 .00118 .00500 .2 36 f 36 e 5093.78102 -.00246 .00500 -.5 37 f 37 e 5093.14567 -.00741 .00500 -1.5 38 f 38 e 5092.51035 .00468 .00500 .9 39 f 39 e 5091.84173 .00045 .00500 .1 40 f 40 e 5091.16064 .00069 .00500 .1 41 f 41 e 5090.45652 -.00519 .00500 -1.0 42 f 42 e 5089.74815 .00153 .00500 .3 43 f 43 e 5089.00124 -.01348 1.00500 .0 44 f 44 e 5088.25462 -.01145 1.00500 .0 45 f 45 e 5087.50446 .00374 .00500 .7 46 f 46 e 5086.70758 -.01115 1.00500 .0 9 e 9 f 5104.31337 .01010 .00500 2.0 * 10 e 10 f 5104.14312 .00467 .00500 .9 11 e 11 f 5103.95466 -.00164 .00500 -.3 12 e 12 f 5103.76181 .00500 .00500 1.0 13 e 13 f 5103.53816 -.00184 .00500 -.4 14 e 14 f 5103.31118 .00531 .00500 1.1 15 e 15 f 5103.05044 -.00398 .00500 -.8 16 e 16 f 5102.79554 .00988 .00500 2.0 17 e 17 f 5102.50799 .00839 .00500 1.7 18 e 18 f 5102.19045 -.00579 .00500 -1.2 19 e 19 f 5101.86418 -.01141 1.00500 .0 20 e 20 f 5101.52796 -.00969 1.00500 .0 21 e 21 f 5101.18601 .00357 .00500 .7 22 e 22 f 5100.80647 -.00350 .00500 -.7 23 e 23 f 5100.43391 .01368 1.00500 .0 24 e 24 f 5100.01117 -.00206 .00500 -.4 25 e 25 f 5099.58398 -.00502 .00500 -1.0 26 e 26 f 5099.12426 -.02326 1.00500 .0 27 e 27 f 5098.67932 -.00949 .00500 -1.9 28 e 28 f 5098.21204 -.00083 .00500 -.2 29 e 29 f 5097.71725 -.00247 .00500 -.5 30 e 30 f 5097.20741 -.00194 .00500 -.4 32 e 32 f 5096.13509 -.00190 .00500 -.4 33 e 33 f 5095.57420 -.00081 .00500 -.2 34 e 34 f 5094.97623 -.01959 1.00500 .0 35 e 35 f 5094.39801 -.00142 .00500 -.3 36 e 36 f 5093.78102 -.00482 .00500 -1.0 37 e 37 f 5093.14567 -.00938 .00500 -1.9 38 e 38 f 5092.51035 .00331 .00500 .7 39 e 39 f 5091.84173 -.00008 .00500 .0 40 e 40 f 5091.16064 .00129 .00500 .3 41 e 41 f 5090.45652 -.00313 .00500 -.6 42 e 42 f 5089.74815 .00546 .00500 1.1 43 e 43 f 5089.00124 -.00722 1.00500 .0 44 e 44 f 5088.25462 -.00230 1.00500 .0 45 e 45 f 5087.50446 .01641 1.00500 .0 46 e 46 f 5086.70758 .00575 .00500 1.2 =================================================================== Table S2 The data of the Hund's case (c) fit of the 0-0 band of the A 4PHI(7/2)–X 4DELTA(5/2) sub-band of CoS =================================================================== OUTPUT FROM LAST LSQ PASS ~~~~~~~~~~~~~~~~~~~~~~~~~ STATE 1 (CASEC) STATE 1 Ground state 4DELTA (5/2) v=0 1 B 2.076665435372D-01 4.120D-08 2 D 1.351566930894D-07 1.549D-11 STATE 2 (CASEC) STATE 2 Ground state 4PHI (7/2) v=0 3 E 3.665042867186D+03 4.165D-04 4 B 1.992268066632D-01 9.364D-08 5 D 1.318064290780D-07 1.559D-11 FINAL VARIANCE 4.436434417529D-01 TABLE OF FITTED DATA ~~~~~~~~~~~~~~~~~~~~ Upper State = 1 STATE 1 Ground state 4DELTA (5/2) v=0 Lower State = 1 STATE 1 Ground state 4DELTA (5/2) v=0 J PAR J PAR OBS OMC SIG DIV # 17 e 16 e 6.85056495 -.00000243 .00000500 -.5 18 e 17 e 7.26542913 -.00000247 .00000500 -.5 19 e 18 e 7.68023651 -.00000255 .00000500 -.5 20 e 19 e 8.09498396 -.00000256 .00000500 -.5 28 e 27 e 11.41041788 .00000133 .00000500 .3 29 e 28 e 11.82447591 -.00000203 .00000500 -.4 30 e 29 e 12.23844508 -.00000182 .00000500 -.4 31 e 30 e 12.65231848 -.00000168 .00000500 -.3 36 e 35 e 14.72013742 -.00000014 .00000500 .0 37 e 36 e 15.13336868 .00000013 .00000500 .0 38 e 37 e 15.54648186 .00000071 .00000500 .1 39 e 38 e 15.95947312 .00000101 .00000500 .2 40 e 39 e 16.37233982 .00000164 .00000500 .3 41 e 40 e 16.78507814 .00000202 .00000500 .4 42 e 41 e 17.19768547 .00000278 .00000500 .6 Upper State = 2 STATE 2 Ground state 4PHI (7/2) v=0 Lower State = 1 STATE 1 Ground state 4DELTA (5/2) v=0 J PAR J PAR OBS OMC SIG DIV # 9 e 9 e 3664.36627 .00489 .00500 1.0 10 e 10 e 3664.18494 -.01610 1.00000 .0 11 e 11 e 3664.02293 -.00089 .00500 -.2 12 e 12 e 3663.83359 .00387 .00500 .8 13 e 13 e 3663.63029 .01153 1.00000 .0 14 e 14 e 3663.38826 -.00266 .00500 -.5 15 e 15 e 3663.15144 .00523 .00500 1.0 16 e 16 e 3662.88479 .00017 .00500 .0 17 e 17 e 3662.60367 -.00250 .00500 -.5 18 e 18 e 3662.31300 .00215 .00500 .4 19 e 19 e 3662.00755 .00888 .00500 1.8 20 e 20 e 3661.66806 -.00156 .00500 -.3 21 e 21 e 3661.32747 .00377 .00500 .8 22 e 22 e 3660.96518 .00425 .00500 .9 23 e 23 e 3660.58107 -.00022 .00500 .0 24 e 24 e 3660.18669 .00189 .00500 .4 25 e 25 e 3659.77245 .00100 .00500 .2 26 e 26 e 3659.31612 -.02512 1.00000 .0 27 e 27 e 3658.89532 .00113 .00500 .2 28 e 28 e 3658.43169 .00141 .00500 .3 29 e 29 e 3657.95286 .00333 .00500 .7 30 e 30 e 3657.43971 -.01222 1.00000 .0 31 e 31 e 3656.93886 .00138 .00500 .3 32 e 32 e 3656.40775 .00155 .00500 .3 33 e 33 e 3655.85970 .00163 .00500 .3 34 e 34 e 3655.29665 .00353 .00500 .7 35 e 35 e 3654.70159 -.00973 .00500 -1.9 36 e 36 e 3654.11341 .00071 .00500 .1 37 e 37 e 3653.49832 .00107 .00500 .2 38 e 38 e 3652.86456 -.00042 .00500 -.1 39 e 39 e 3652.21755 .00166 .00500 .3 40 e 40 e 3651.55260 .00263 .00500 .5 41 e 41 e 3650.87229 .00505 .00500 1.0 42 e 42 e 3650.16762 -.00008 .00500 .0 43 e 43 e 3649.45183 .00048 .00500 .1 44 e 44 e 3648.71826 .00006 .00500 .0 45 e 45 e 3647.97038 .00214 .00500 .4 46 e 46 e 3647.20192 .00043 .00500 .1 47 e 47 e 3646.41695 -.00099 .00500 -.2 48 e 48 e 3645.61692 -.00068 .00500 -.1 49 e 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103 e 3575.88479 -.00008 .00500 .0 104 e 104 e 3574.15723 .00453 .00500 .9 105 e 105 e 3572.40145 -.00264 .00500 -.5 106 e 106 e 3570.63884 -.00020 .00500 .0 107 e 107 e 3568.86116 .00360 .00500 .7 108 e 108 e 3567.05956 -.00011 .00500 .0 109 e 109 e 3565.24535 -.00001 .00500 .0 110 e 110 e 3563.41434 -.00031 .00500 -.1 111 e 111 e 3561.56622 -.00133 .00500 -.3 112 e 112 e 3559.70814 .00407 .00500 .8 113 e 113 e 3557.81633 -.00788 .00500 -1.6 114 e 114 e 3555.92623 -.00175 .00500 -.4 115 e 115 e 3554.01615 .00075 .00500 .2 116 e 116 e 3552.08612 -.00035 .00500 -.1 117 e 117 e 3550.14128 .00008 .00500 .0 118 e 118 e 3548.18033 .00073 .00500 .1 119 e 119 e 3546.20215 .00047 .00500 .1 120 e 120 e 3544.20715 -.00030 .00500 -.1 122 e 122 e 3540.16895 -.00115 .00500 -.2 123 e 123 e 3538.12788 .00088 .00500 .2 124 e 124 e 3536.06987 .00224 .00500 .4 125 e 125 e 3533.99293 .00093 .00500 .2 126 e 126 e 3531.90040 .00029 .00500 .1 127 e 127 e 3529.79360 .00161 .00500 .3 128 e 128 e 3527.66861 .00098 .00500 .2 129 e 129 e 3525.52767 .00062 .00500 .1 130 e 130 e 3523.37928 .00902 .00500 1.8 131 e 131 e 3521.20095 .00367 .00500 .7 132 e 132 e 3519.01009 .00199 .00500 .4 133 e 133 e 3516.80371 .00097 .00500 .2 134 e 134 e 3514.58254 .00132 .00500 .3 135 e 135 e 3512.34493 .00140 .00500 .3 136 e 136 e 3510.09060 .00090 .00500 .2 137 e 137 e 3507.82099 .00125 .00500 .3 138 e 138 e 3505.53660 .00295 .00500 .6 139 e 139 e 3503.23320 .00175 .00500 .4 140 e 140 e 3500.91518 .00204 .00500 .4 141 e 141 e 3498.58100 .00226 .00500 .5 142 e 142 e 3496.23209 .00383 .00500 .8 143 e 143 e 3493.86376 .00204 .00500 .4 144 e 144 e 3491.48268 .00357 .00500 .7 145 e 145 e 3489.07917 -.00129 .00500 -.3 146 e 146 e 3486.66409 -.00169 .00500 -.3 147 e 147 e 3484.23935 .00428 .00500 .9 148 e 148 e 3481.79335 .00500 .00500 1.0 149 e 149 e 3479.32165 -.00398 .00500 -.8 150 e 150 e 3476.84824 .00131 .00500 .3 151 e 151 e 3474.35337 .00112 .00500 .2 152 e 152 e 3471.83491 -.00670 .00500 -1.3 153 e 153 e 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3652.45513 .05571 .05000 1.1 22 e 23 e 3651.67630 .05421 .05000 1.1 23 e 24 e 3650.87229 .04431 .05000 .9 24 e 25 e 3650.07075 .05366 .05000 1.1 25 e 26 e 3649.23382 .04440 .05000 .9 26 e 27 e 3648.39448 .04950 .05000 1.0 27 e 28 e 3647.52427 .04050 .05000 .8 28 e 29 e 3646.65725 .05145 .05000 1.0 29 e 30 e 3645.75391 .04283 .05000 .9 30 e 31 e 3644.85041 .05080 .05000 1.0 31 e 32 e 3643.91945 .04806 .05000 1.0 32 e 33 e 3642.96380 .03737 .05000 .7 33 e 34 e 3641.99814 .03340 .05000 .7 34 e 35 e 3641.01677 .03044 .05000 .6 35 e 36 e 3640.01965 .02846 .05000 .6 36 e 37 e 3639.00317 .02384 .05000 .5 37 e 38 e 3637.96774 .01697 .05000 .3 38 e 39 e 3636.92188 .01637 .05000 .3 39 e 40 e 3635.85838 .01483 .05000 .3 40 e 41 e 3634.77653 .01163 .05000 .2 41 e 42 e 3633.68435 .01479 .05000 .3 42 e 43 e 3632.56632 .00877 .05000 .2 43 e 44 e 3631.43567 .00680 .00500 1.4 44 e 45 e 3630.28828 .00476 .00500 1.0 45 e 46 e 3629.12278 .00127 .00500 .3 46 e 47 e 3627.94135 -.00151 .00500 -.3 47 e 48 e 3626.74759 .00003 .00500 .0 48 e 49 e 3625.53024 -.00539 .00500 -1.1 49 e 50 e 3624.30032 -.00674 .00500 -1.3 50 e 51 e 3623.05102 -.01086 1.00000 .0 51 e 52 e 3621.78660 -.01347 1.00000 .0 53 e 54 e 3619.21706 -.00959 .00500 -1.9 54 e 55 e 3617.91159 -.00346 .00500 -.7 55 e 56 e 3616.58718 .00032 .00500 .1 56 e 57 e 3615.24503 .00294 .00500 .6 57 e 58 e 3613.87717 -.00359 .00500 -.7 58 e 59 e 3612.50237 -.00049 .00500 -.1 60 e 61 e 3609.69834 .00093 .00500 .2 61 e 62 e 3608.27109 .00122 .00500 .2 62 e 63 e 3606.82442 -.00138 .00500 -.3 63 e 64 e 3605.36376 -.00145 .00500 -.3 64 e 65 e 3603.88825 .00015 .00500 .0 65 e 66 e 3602.39416 -.00033 .00500 -.1 66 e 67 e 3600.88496 .00058 .00500 .1 67 e 68 e 3599.35775 -.00004 .00500 .0 68 e 69 e 3597.81431 -.00040 .00500 -.1 69 e 70 e 3596.25476 -.00040 .00500 -.1 70 e 71 e 3594.67867 -.00048 .00500 -.1 71 e 72 e 3593.08556 -.00113 .00500 -.2 72 e 73 e 3591.47697 -.00081 .00500 -.2 73 e 74 e 3589.85284 .00041 .00500 .1 74 e 75 e 3588.21243 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.00500 .8 104 e 105 e 3531.36389 -.00345 .00500 -.7 105 e 106 e 3529.21764 -.00363 .00500 -.7 106 e 107 e 3527.05967 .00056 .00500 .1 107 e 108 e 3524.88335 .00248 .00500 .5 108 e 109 e 3522.68397 -.00259 .00500 -.5 109 e 110 e 3520.47936 .00317 .00500 .6 110 e 111 e 3518.24950 -.00028 .00500 -.1 111 e 112 e 3516.00803 .00070 .00500 .1 112 e 113 e 3513.74717 -.00168 .00500 -.3 113 e 114 e 3511.47766 .00329 .00500 .7 114 e 115 e 3509.18505 .00116 .00500 .2 115 e 116 e 3506.87887 .00145 .00500 .3 116 e 117 e 3504.56023 .00525 .00500 1.0 117 e 118 e 3502.21819 .00161 .00500 .3 118 e 119 e 3499.86181 -.00043 .00500 -.1 119 e 120 e 3497.49470 .00275 .00500 .5 120 e 121 e 3495.10707 .00132 .00500 .3 121 e 122 e 3492.70527 .00164 .00500 .3 122 e 123 e 3490.29675 .01113 1.00500 .0 123 e 124 e 3487.85539 .00367 .00500 .7 124 e 125 e 3485.41225 .01030 1.00500 .0 125 e 126 e 3482.93664 .00031 .00500 .1 126 e 127 e 3480.45705 .00219 .00500 .4 127 e 128 e 3477.96257 .00501 .00500 1.0 128 e 129 e 3475.44414 -.00030 .00500 -.1 129 e 130 e 3472.91799 .00247 .00500 .5 130 e 131 e 3470.37501 .00420 .00500 .8 131 e 132 e 3467.80804 -.00228 .00500 -.5 132 e 133 e 3465.23955 .00548 .00500 1.1 133 e 134 e 3462.63966 -.00241 .00500 -.5 134 e 135 e 3460.04386 .00952 .00500 1.9 135 e 136 e 3457.41325 .00237 .00500 .5 9 e 8 e 3667.92198 .03060 .05000 .6 10 e 9 e 3668.17378 .02754 .05000 .6 11 e 10 e 3668.41004 .02585 .05000 .5 12 e 11 e 3668.63129 .02606 .05000 .5 13 e 12 e 3668.83070 .02134 .05000 .4 14 e 13 e 3669.01357 .01699 .05000 .3 15 e 14 e 3669.18381 .01692 .05000 .3 16 e 15 e 3669.33537 .01510 .05000 .3 17 e 16 e 3669.47040 .01366 .05000 .3 18 e 17 e 3669.58763 .01134 .05000 .2 19 e 18 e 3669.68986 .01095 .05000 .2 20 e 19 e 3669.77516 .01056 .05000 .2 21 e 20 e 3669.83678 .00341 .05000 .1 22 e 21 e 3669.92294 .03772 .05000 .8 23 e 22 e 3669.92294 .00281 .05000 .1 24 e 23 e 3669.92294 -.01517 .05000 -.3 25 e 24 e 3669.92294 -.01622 .05000 -.3 26 e 25 e 3669.92294 -.00033 .05000 .0 27 e 26 e 3669.92294 .03249 .05000 .6 28 e 27 e 3669.83678 -.00392 .00500 -.8 29 e 28 e 3669.77516 .00116 .00500 .2 30 e 29 e 3669.68986 -.00051 .00500 -.1 31 e 30 e 3669.58763 -.00217 .00500 -.4 32 e 31 e 3669.47040 -.00189 .00500 -.4 33 e 32 e 3669.33537 -.00247 .00500 -.5 34 e 33 e 3669.18381 -.00264 .00500 -.5 35 e 34 e 3669.01357 -.00455 .00500 -.9 36 e 35 e 3668.83070 -.00214 .00500 -.4 37 e 36 e 3668.63129 .00067 .00500 .1 38 e 37 e 3668.41004 -.00142 .00500 -.3 39 e 38 e 3668.17378 -.00158 .00500 -.3 40 e 39 e 3667.92198 -.00033 .00500 -.1 41 e 40 e 3667.65224 -.00008 .00500 .0 42 e 41 e 3667.36546 .00007 .00500 .0 43 e 42 e 3667.06223 .00072 .00500 .1 44 e 43 e 3666.73878 -.00191 .00500 -.4 46 e 45 e 3666.04527 -.00295 .00500 -.6 47 e 46 e 3665.67683 .00026 .00500 .1 48 e 47 e 3665.28727 -.00072 .00500 -.1 49 e 48 e 3664.88245 -.00001 .00500 .0 50 e 49 e 3664.46384 .00385 .00500 .8 51 e 50 e 3664.02293 .00235 .00500 .5 52 e 51 e 3663.56773 .00350 .00500 .7 53 e 52 e 3663.09432 .00338 .00500 .7 54 e 53 e 3662.60367 .00295 .00500 .6 55 e 54 e 3662.09412 .00056 .00500 .1 56 e 55 e 3661.57104 .00157 .00500 .3 57 e 56 e 3661.02649 -.00195 .00500 -.4 58 e 57 e 3660.47134 .00086 .00500 .2 59 e 58 e 3659.89051 -.00508 .00500 -1.0 60 e 59 e 3659.31612 .01234 1.00000 .0 61 e 60 e 3658.69486 -.00017 .00500 .0 62 e 61 e 3658.06722 -.00214 .00500 -.4 63 e 62 e 3657.43971 .01295 1.00000 .0 64 e 63 e 3656.76542 -.00182 .00500 -.4 65 e 64 e 3656.08971 -.00109 .00500 -.2 66 e 65 e 3655.39674 -.00070 .00500 -.1 67 e 66 e 3654.70159 .01442 1.00000 .0 68 e 67 e 3653.95798 -.00199 .00500 -.4 69 e 68 e 3653.21644 .00057 .00500 .1 70 e 69 e 3652.45513 .00027 .00500 .1 71 e 70 e 3651.67630 -.00064 .00500 -.1 72 e 71 e 3650.87229 -.00982 .00500 -2.0 73 e 72 e 3650.07075 .00037 .00500 .1 74 e 73 e 3649.23382 -.00793 .00500 -1.6 75 e 74 e 3648.39448 -.00174 .00500 -.3 76 e 75 e 3647.52427 -.00953 .00500 -1.9 77 e 76 e 3646.65725 .00277 .00500 .6 78 e 77 e 3645.75391 -.00437 .00500 -.9 79 e 78 e 3644.85041 .00522 .00500 1.0 80 e 79 e 3643.91945 .00424 .00500 .8 81 e 80 e 3642.96380 -.00456 .00500 -.9 82 e 81 e 3641.99814 -.00649 .00500 -1.3 83 e 82 e 3641.01677 -.00726 .00500 -1.5 84 e 83 e 3640.01965 -.00690 .00500 -1.4 85 e 84 e 3639.00317 -.00904 .00500 -1.8 86 e 85 e 3637.96774 -.01327 1.00000 .0 87 e 86 e 3636.92188 -.01106 1.00000 .0 88 e 87 e 3635.85838 -.00964 .00500 -1.9 89 e 88 e 3634.77653 -.00972 .00500 -1.9 90 e 89 e 3633.68435 -.00328 .00500 -.7 91 e 90 e 3632.56632 -.00585 .00500 -1.2 92 e 91 e 3631.43567 -.00420 .00500 -.8 93 e 92 e 3630.28828 -.00245 .00500 -.5 94 e 93 e 3629.12278 -.00197 .00500 -.4 95 e 94 e 3627.94135 -.00060 .00500 -.1 96 e 95 e 3626.74759 .00526 .00500 1.1 97 e 96 e 3625.53024 .00435 .00500 .9 98 e 97 e 3624.30032 .00768 .00500 1.5 99 e 98 e 3623.05102 .00845 .00500 1.7 100 e 99 e 3621.78660 .01090 1.00000 .0 101 e 100 e 3620.49108 -.00095 .00500 -.2 102 e 101 e 3619.21706 .02549 1.00000 .0 103 e 102 e 3617.87975 .00544 .00500 1.1 104 e 103 e 3616.54527 .00500 .00500 1.0 105 e 104 e 3615.19228 .00283 .00500 .6 106 e 105 e 3613.82128 -.00057 .00500 -.1 107 e 106 e 3612.44297 .00548 .00500 1.1 108 e 107 e 3611.03965 .00330 .00500 .7 109 e 108 e 3609.61204 -.00642 .00500 -1.3 110 e 109 e 3608.18284 -.00098 .00500 -.2 111 e 110 e 3606.73200 -.00043 .00500 -.1 112 e 111 e 3605.26194 -.00235 .00500 -.5 113 e 112 e 3603.77793 -.00149 .00500 -.3 114 e 113 e 3602.27589 -.00193 .00500 -.4 115 e 114 e 3600.76716 .00767 .00500 1.5 116 e 115 e 3599.22129 -.00315 .00500 -.6 117 e 116 e 3597.67404 .00136 .00500 .3 118 e 117 e 3596.10746 .00325 .00500 .6 119 e 118 e 3594.52045 .00140 .00500 .3 120 e 119 e 3592.91103 -.00615 .00500 -1.2 121 e 120 e 3591.29230 -.00633 .00500 -1.3 122 e 121 e 3589.66187 -.00153 .00500 -.3 123 e 122 e 3588.01270 .00121 .00500 .2 124 e 123 e 3586.34241 -.00050 .00500 -.1 125 e 124 e 3584.65317 -.00451 .00500 -.9 126 e 125 e 3582.95464 -.00114 .00500 -.2 127 e 126 e 3581.23270 -.00454 .00500 -.9 128 e 127 e 3579.50104 -.00102 .00500 -.2 129 e 128 e 3577.76263 .01239 1.00000 .0 130 e 129 e 3575.98478 .00299 .00500 .6 132 e 131 e 3572.40145 .00640 .00500 1.3 133 e 132 e 3570.57882 .00205 .00500 .4 134 e 133 e 3568.73969 -.00220 .00500 -.4 135 e 134 e 3566.89154 .00113 .00500 .2 136 e 135 e 3565.01812 -.00424 .00500 -.8 137 e 136 e 3563.14000 .00227 .00500 .5 139 e 138 e 3559.32170 .00293 .00500 .6 140 e 139 e 3557.38197 -.00249 .00500 -.5 141 e 140 e 3555.43457 .00096 .00500 .2 142 e 141 e 3553.46286 -.00336 .00500 -.7 143 e 142 e 3551.46499 -.01731 1.00000 .0 144 e 143 e 3549.47816 -.00370 .00500 -.7 145 e 144 e 3547.45833 -.00658 .00500 -1.3 146 e 145 e 3545.42833 -.00313 .00500 -.6 147 e 146 e 3543.36535 -.01617 1.00000 .0 148 e 147 e 3541.31443 -.00065 .00500 -.1 149 e 148 e 3539.22737 -.00481 .00500 -1.0 150 e 149 e 3537.12825 -.00455 .00500 -.9 151 e 150 e 3535.01163 -.00533 .00500 -1.1 152 e 151 e 3532.88435 -.00032 .00500 -.1 153 e 152 e 3530.72243 -.01351 1.00500 .0 154 e 153 e 3528.55732 -.01346 1.00500 .0 155 e 154 e 3526.38485 -.00434 .00500 -.9 156 e 155 e 3524.18673 -.00446 .00500 -.9 157 e 156 e 3521.97348 -.00330 .00500 -.7 158 e 157 e 3519.73876 -.00721 .00500 -1.4 159 e 158 e 3517.48564 -.01314 1.00500 .0 160 e 159 e 3515.23022 -.00499 .00500 -1.0 161 e 160 e 3512.94582 -.00946 .00500 -1.9 162 e 161 e 3510.66021 .00122 .00500 .2 ========================================================= Table S3 The data of the Hund's case (c) fit of the 0-0 band of the A 4PHI(5/2)–X 4DELTA(3/2) sub-band of CoS ========================================================= OUTPUT FROM LAST LSQ PASS ~~~~~~~~~~~~~~~~~~~~~~~~~ STATE 1 (CASEC) STATE 1 Ground state 4DELTA (3/2) v=0 1 B 2.079340001193D-01 5.745D-08 2 D 1.357422171206D-07 3.874D-11 STATE 2 (CASEC) STATE 2 Excited state 4PHI (5/2) v=0 3 E 3.821904101807D+03 1.427D-03 4 B 1.993554922961D-01 2.619D-06 5 D 1.845183438404D-07 1.053D-09 FINAL VARIANCE 3.994252950024D-01 TABLE OF FITTED DATA ~~~~~~~~~~~~~~~~~~~~ Upper State = 1 STATE 1 Ground state 4DELTA (3/2) v=0 Lower State = 1 STATE 1 Ground state 4DELTA (3/2) v=0 J PAR J PAR OBS OMC SIG DIV # 17 e 16 e 6.85938298 .00000006 .00000500 .0 18 e 17 e 7.27477993 -.00000010 .00000500 .0 19 e 18 e 7.69012022 .00000009 .00000500 .0 20 e 19 e 8.10539986 -.00000010 .00000500 .0 21 e 20 e 8.52061636 .00000010 .00000500 .0 23 e 22 e 9.35084538 .00000013 .00000500 .0 24 e 23 e 9.76585126 -.00000016 .00000500 .0 28 e 27 e 11.42507779 -.00000016 .00000500 .0 29 e 28 e 11.83966899 .00000024 .00000500 .0 30 e 29 e 12.25416652 -.00000019 .00000500 .0 31 e 30 e 12.66856885 .00000029 .00000500 .1 32 e 31 e 13.08287085 -.00000019 .00000500 .0 Upper State = 2 STATE 2 Excited state 4PHI (5/2) v=0 Lower State = 1 STATE 1 Ground state 4DELTA (3/2) v=0 J PAR J PAR OBS OMC SIG DIV # 26 e 25 e 3826.69225 .01172 1.00500 .0 27 e 26 e 3826.63352 -.00349 .00500 -.7 28 e 27 e 3826.57374 -.00207 .00500 -.4 29 e 28 e 3826.49480 -.00211 .00500 -.4 30 e 29 e 3826.39600 -.00427 .00500 -.9 31 e 30 e 3826.28352 -.00233 .00500 -.5 32 e 31 e 3826.15092 -.00268 .00500 -.5 33 e 32 e 3826.00638 .00288 .00500 .6 34 e 33 e 3825.83699 .00149 .00500 .3 35 e 34 e 3825.64911 -.00045 .00500 -.1 36 e 35 e 3825.44713 .00150 .00500 .3 37 e 36 e 3825.23171 .00804 .00500 1.6 38 e 37 e 3824.98253 -.00110 .00500 -.2 39 e 38 e 3824.73228 .00681 .00500 1.4 40 e 39 e 3824.45993 .01080 1.00500 .0 41 e 40 e 3824.18777 .03320 1.00000 .0 42 e 41 e 3823.84780 .00606 .00500 1.2 43 e 42 e 3823.51575 .00517 .00500 1.0 44 e 43 e 3823.17130 .01025 1.00000 .0 45 e 44 e 3822.79112 -.00196 .00500 -.4 46 e 45 e 3822.40846 .00183 .00500 .4 47 e 46 e 3821.99991 -.00172 .00500 -.3 48 e 47 e 3821.57432 -.00372 .00500 -.7 49 e 48 e 3821.11890 -.01688 10.00000 .0 50 e 49 e 3820.66019 -.01461 10.00000 .0 51 e 50 e 3820.16532 -.02972 10.00000 .0 52 e 51 e 3819.64354 -.05289 10.00000 .0 53 e 52 e 3819.12078 -.05814 10.00000 .0 54 e 53 e 3818.56518 -.07726 10.00000 .0 12 e 12 e 3820.66019 -.00974 .00500 -1.9 13 e 13 e 3820.45776 .00267 .00500 .5 14 e 14 e 3820.21959 -.00340 .00500 -.7 15 e 15 e 3819.98701 .01339 1.00000 .0 16 e 16 e 3819.71396 .00700 .00500 1.4 17 e 17 e 3819.42746 .00447 .00500 .9 18 e 18 e 3819.12078 -.00092 .00500 -.2 19 e 19 e 3818.80691 .00385 .00500 .8 20 e 20 e 3818.47815 .01110 1.00000 .0 21 e 21 e 3818.12097 .00732 .00500 1.5 22 e 22 e 3817.74625 .00342 .00500 .7 23 e 23 e 3817.35781 .00323 .00500 .6 24 e 24 e 3816.95055 .00169 .00500 .3 25 e 25 e 3816.52318 -.00246 .00500 -.5 26 e 26 e 3816.08490 27 e 27 e 3815.62739 .00078 .00500 .2 28 e 28 e 3815.14692 -.00381 .00500 -.8 29 e 29 e 3814.65406 -.00318 .00500 -.6 30 e 30 e 3814.14294 -.00316 .00500 -.6 31 e 31 e 3813.60956 -.00772 .00500 -1.5 32 e 32 e 3813.06502 -.00571 .00500 -1.1 33 e 33 e 3812.50352 -.00291 .00500 -.6 34 e 34 e 3811.92061 -.00373 .00500 -.7 35 e 35 e 3811.32369 -.00072 .00500 -.1 36 e 36 e 3810.70977 .00316 .00500 .6 37 e 37 e 3810.06207 -.00882 .00500 -1.8 38 e 38 e 3809.42073 .00352 .00500 .7 39 e 39 e 3808.74210 -.00343 .00500 -.7 40 e 40 e 3808.05779 .00198 .00500 .4 41 e 41 e 3807.35174 .00375 .00500 .8 42 e 42 e 3806.62782 .00579 .00500 1.2 43 e 43 e 3805.87984 .00197 .00500 .4 44 e 44 e 3805.11618 .00070 .00500 .1 45 e 45 e 3804.33670 .00190 .00500 .4 46 e 46 e 3803.53637 .00059 .00500 .1 47 e 47 e 3802.71387 -.00449 .00500 -.9 48 e 48 e 3801.87572 -.00678 .00500 -1.4 49 e 49 e 3801.01126 -.01686 10.00000 .0 50 e 50 e 3800.13509 -.02010 10.00000 .0 51 e 51 e 3799.23389 -.02974 10.00000 .0 52 e 52 e 3798.30132 -.05207 10.00000 .0 53 e 53 e 3797.36138 -.06304 10.00000 .0 54 e 54 e 3796.39329 -.08335 10.00000 .0 55 e 55 e 3795.39608 -.11392 10.00000 .0 56 e 56 e 3794.39058 -.13385 10.00000 .0 57 e 57 e 3793.34768 -.17219 10.00000 .0 58 e 58 e 3792.29299 -.20326 10.00000 .0 59 e 59 e 3791.20261 -.25090 10.00000 .0 17 e 18 e 3812.16053 .01232 1.00000 .0 18 e 19 e 3811.42897 -.00261 .00500 -.5 19 e 20 e 3810.70977 .01211 1.00000 .0 20 e 21 e 3809.94643 21 e 22 e 3809.18198 .00410 .00500 .8 22 e 23 e 3808.39505 .00306 .00500 .6 23 e 24 e 3807.59268 .00395 .00500 .8 24 e 25 e 3806.76739 -.00069 .00500 -.1 25 e 26 e 3805.93639 .00638 .00500 1.3 26 e 27 e 3805.06371 -.01079 1.00000 .0 27 e 28 e 3804.19719 -.00434 .00500 -.9 28 e 29 e 3803.31883 .00776 1.00000 .0 29 e 30 e 3802.39730 -.00578 .00500 -1.2 30 e 31 e 3801.47098 -.00655 .00500 -1.3 31 e 32 e 3800.53785 .00344 .00500 .7 32 e 33 e 3799.56308 -.01058 1.00000 .0 33 e 34 e 3798.58892 -.00635 .00500 -1.3 34 e 35 e 3797.60085 .00166 .00500 .3 35 e 36 e 3796.59081 .00542 .00500 1.1 36 e 37 e 3795.55081 -.00302 .00500 -.6 37 e 38 e 3794.50313 -.00134 .00500 -.3 38 e 39 e 3793.43663 -.00065 .00500 -.1 39 e 40 e 3792.35796 .00575 .00500 1.2 40 e 41 e 3791.25211 .00289 .00500 .6 41 e 42 e 3790.11488 -.01339 10.00000 .0 42 e 43 e 3788.96820 -.02112 10.00000 .0 43 e 44 e 3787.82392 -.00839 10.00000 .0 44 e 45 e 3786.64493 -.01228 10.00000 .0 45 e 46 e 3785.44325 -.02071 10.00000 .0 46 e 47 e 3784.25567 .00316 10.00000 .0 47 e 48 e 3783.01694 -.00589 10.00000 .0 48 e 49 e 3781.75314 -.02170 10.00000 .0 49 e 50 e 3780.48516 -.02335 10.00000 .0 50 e 51 e 3779.18996 -.03382 10.00000 .0 51 e 52 e 3777.89142 -.02917 10.00000 .0 52 e 53 e 3776.56248 -.03641 10.00000 .0 53 e 54 e 3775.19874 -.05989 10.00000 .0 54 e 55 e 3773.82618 -.07355 10.00000 .0 55 e 56 e 3772.41736 -.10479 10.00000 .0 56 e 57 e 3770.98690 -.13892 10.00000 .0 57 e 58 e 3769.54386 -.16683 10.00000 .0 58 e 59 e 3768.07037 -.20631 10.00000 .0 ========================================================= Table S4 The data of the Hund's case (c) fit of the 0-0 band of the A 4PHI(3/2) – X 4DELTA(1/2) sub-band of CoS ========================================================= OUTPUT FROM LAST LSQ PASS ~~~~~~~~~~~~~~~~~~~~~~~~~ STATE 1 (CASEC) STATE 1 Ground state 4DELTA (1/2) v=0 1 B 2.082261339474D-01 3.812D-08 2 D 1.362603847803D-07 1.401D-11 3 P -3.938287123727D-03 2.760D-06 4 PD -8.055695844330D-09 9.250D-10 STATE 2 (CASEC) STATE 2 Excited state 4PHI (3/2) v=0 5 E 3.920564387575D+03 5.621D-04 6 B 1.995206074179D-01 3.419D-07 7 D 1.346756804761D-07 4.418D-11 FINAL VARIANCE 5.614545818766D-01 TABLE OF FITTED DATA ~~~~~~~~~~~~~~~~~~~~ Upper State = 1 STATE 1 Ground state 4DELTA (1/2) v=0 Lower State = 1 STATE 1 Ground state 4DELTA (1/2) v=0 J PAR J PAR OBS OMC SIG DIV # 15 f 14 f 6.03886781 -.00000014 .00000500 .0 17 f 16 f 6.87098630 -.00000016 .00000500 .0 18 f 17 f 7.28696629 -.00000016 .00000500 .0 19 f 18 f 7.70288908 -.00000016 .00000500 .0 20 f 19 f 8.11875139 -.00000016 .00000500 .0 21 f 20 f 8.53454996 -.00000016 .00000500 .0 39 f 38 f 16.00429575 .00000006 .00000500 .0 40 f 39 f 16.41826185 .00000011 .00000500 .0 42 f 41 f 17.24580338 .00000027 .00000500 .1 15 e 14 e 6.03492465 .00000007 .00000500 .0 17 e 16 e 6.86704164 .00000005 .00000500 .0 18 e 17 e 7.28302080 .00000004 .00000500 .0 19 e 18 e 7.69894272 .00000004 .00000500 .0 20 e 19 e 8.11480410 .00000003 .00000500 .0 21 e 20 e 8.53060166 -.00000001 .00000500 .0 39 e 38 e 16.00032147 -.00000011 .00000500 .0 40 e 39 e 16.41428566 -.00000008 .00000500 .0 42 e 41 e 17.24182322 .00000002 .00000500 .0 Upper State = 2 STATE 2 Excited state 4PHI (3/2) v=0 Lower State = 1 STATE 1 Ground state 4DELTA (1/2) v=0 J PAR J PAR OBS OMC SIG DIV # 22 e 23 e 3907.03757 .00274 .00500 .5 23 e 24 e 3906.22978 .00024 .00500 .0 24 e 25 e 3905.41417 .00724 .00500 1.4 25 e 26 e 3904.56274 -.00426 .00500 -.9 26 e 27 e 3903.70309 -.00667 .00500 -1.3 27 e 28 e 3902.85000 .01480 1.00000 .0 28 e 29 e 3901.94257 -.00077 .00500 -.2 29 e 30 e 3901.02415 -.01002 1.00000 .0 30 e 31 e 3900.11076 .00305 .00500 .6 31 e 32 e 3899.15102 -.01293 1.00000 .0 32 e 33 e 3898.20490 .00200 .00500 .4 33 e 34 e 3897.22085 -.00372 .00500 -.7 34 e 35 e 3896.22693 -.00203 .00500 -.4 35 e 36 e 3895.22139 .00531 .00500 1.1 36 e 37 e 3894.18420 -.00172 .00500 -.3 37 e 38 e 3893.14822 .00972 1.00000 .0 38 e 39 e 3892.06892 -.00489 .00500 -1.0 39 e 40 e 3890.99187 40 e 41 e 3889.90311 .01043 1.00000 .0 41 e 42 e 3888.78441 .00817 1.00000 .0 42 e 43 e 3887.64938 .00682 .00500 1.4 43 e 44 e 3886.48676 -.00488 .00500 -1.0 44 e 45 e 3885.31987 -.00361 .00500 -.7 45 e 46 e 3884.13919 .00109 .00500 .2 46 e 47 e 3882.95492 .01942 1.00000 .0 47 e 48 e 3881.72085 .00517 .00500 1.0 48 e 49 e 3880.47820 -.00045 .00500 -.1 49 e 50 e 3879.22108 -.00333 .00500 -.7 50 e 51 e 3877.95181 -.00116 .00500 -.2 51 e 52 e 3876.66119 -.00314 .00500 -.6 52 e 53 e 3875.34187 -.01662 1.00000 .0 53 e 54 e 3874.02677 -.00871 .00500 -1.7 54 e 55 e 3872.69806 .00278 .00500 .6 55 e 56 e 3871.33878 .00088 .00500 .2 56 e 57 e 3869.97747 .01412 1.00000 .0 57 e 58 e 3868.56232 -.00932 .00500 -1.9 58 e 59 e 3867.15949 -.00328 .00500 -.7 59 e 60 e 3865.73085 -.00589 .00500 -1.2 60 e 61 e 3864.28233 -.01124 1.00000 .0 61 e 62 e 3862.83267 -.00058 .00500 -.1 62 e 63 e 3861.37282 .01702 1.00000 .0 63 e 64 e 3859.86256 .00135 .00500 .3 64 e 65 e 3858.34753 -.00196 .00500 -.4 65 e 66 e 3856.82974 .00908 .00500 1.8 66 e 67 e 3855.27475 .00004 .00500 .0 67 e 68 e 3853.70126 -.01039 1.00000 .0 68 e 69 e 3852.12390 -.00759 .00500 -1.5 69 e 70 e 3850.53105 -.00318 .00500 -.6 70 e 71 e 3848.92116 .00128 .00500 .3 71 e 72 e 3847.28215 -.00629 .00500 -1.3 72 e 73 e 3845.63993 73 e 74 e 3843.96061 -.01373 1.00000 .0 74 e 75 e 3842.31246 .02078 1.00000 .0 75 e 76 e 3840.59769 .00573 .00500 1.1 76 e 77 e 3838.87635 .00116 .00500 .2 77 e 78 e 3837.16745 .02609 1.00000 .0 78 e 79 e 3835.39488 .00438 .00500 .9 79 e 80 e 3833.57012 -.05247 1.00000 -.1 80 e 81 e 3831.84113 .00347 .00500 .7 12 e 11 e 3924.11247 -.01057 .05000 -.2 13 e 12 e 3924.31548 -.00812 .05000 -.2 14 e 13 e 3924.50891 .00220 .05000 .0 15 e 14 e 3924.67683 .00445 .05000 .1 16 e 15 e 3924.82355 .00297 .05000 .1 17 e 16 e 3924.94814 -.00320 .05000 -.1 18 e 17 e 3925.05889 -.00574 .05000 -.1 19 e 18 e 3925.17496 .01450 .05000 .3 20 e 19 e 3925.23937 .00054 .05000 .0 21 e 20 e 3925.27742 -.02231 .05000 -.4 22 e 21 e 3925.35856 .01540 .05000 .3 23 e 22 e 3925.35856 -.01056 .05000 -.2 24 e 23 e 3925.35856 -.01904 .05000 -.4 25 e 24 e 3925.35856 -.01005 .05000 -.2 26 e 25 e 3925.35856 .01642 .05000 .3 27 e 26 e 3925.27742 -.02077 .05000 -.4 28 e 27 e 3925.23937 .00262 .05000 .1 29 e 28 e 3925.17496 .01713 .05000 .3 30 e 29 e 3925.05889 -.00254 .00500 -.5 31 e 30 e 3924.94814 .00061 .00500 .1 32 e 31 e 3924.82355 .00741 .00500 1.5 33 e 32 e 3924.67683 .00957 .00500 1.9 34 e 33 e 3924.50891 .00803 .00500 1.6 35 e 34 e 3924.31548 -.00152 .00500 -.3 36 e 35 e 3924.11247 -.00316 .00500 -.6 37 e 36 e 3923.90199 .00524 .00500 1.0 38 e 37 e 3923.66533 .00496 .00500 1.0 39 e 38 e 3923.40723 .00075 .00500 .1 40 e 39 e 3923.13455 -.00054 .00500 -.1 41 e 40 e 3922.84401 -.00217 .00500 -.4 42 e 41 e 3922.54299 .00322 .00500 .6 43 e 42 e 3922.21640 .00055 .00500 .1 44 e 43 e 3921.87639 .00198 .00500 .4 45 e 44 e 3921.51438 -.00107 .00500 -.2 46 e 45 e 3921.14239 .00341 .00500 .7 47 e 46 e 3920.74410 -.00089 .00500 -.2 48 e 47 e 3920.33348 49 e 48 e 3919.89413 -.01032 1.00000 .0 50 e 49 e 3919.45505 -.00284 .00500 -.6 51 e 50 e 3918.99332 -.00049 .00500 -.1 52 e 51 e 3918.51730 .00509 .00500 1.0 53 e 52 e 3918.02102 .00794 .00500 1.6 54 e 53 e 3917.49642 55 e 54 e 3916.96194 -.00029 .00500 -.1 56 e 55 e 3916.40333 -.00718 .00500 -1.4 57 e 56 e 3915.84073 -.00053 .00500 -.1 58 e 57 e 3915.25237 -.00211 .00500 -.4 59 e 58 e 3914.64408 -.00608 .00500 -1.2 60 e 59 e 3914.03220 .00389 .00500 .8 61 e 60 e 3913.38732 -.00160 .00500 -.3 62 e 61 e 3912.73283 .00083 .00500 .2 63 e 62 e 3912.05200 -.00554 .00500 -1.1 64 e 63 e 3911.36627 .00073 .00500 .1 65 e 64 e 3910.65600 66 e 65 e 3909.92789 -.00103 .00500 -.2 67 e 66 e 3909.18430 68 e 67 e 3908.42117 -.00097 .00500 -.2 69 e 68 e 3907.64299 .00056 .00500 .1 70 e 69 e 3906.84391 -.00127 .00500 -.3 71 e 70 e 3906.02194 -.00845 1.00000 .0 72 e 71 e 3905.19395 -.00411 .00500 -.8 73 e 72 e 3904.33549 -.01269 1.00000 .0 74 e 73 e 3903.48208 .00132 .00500 .3 75 e 74 e 3902.57962 -.01617 1.00000 .0 76 e 75 e 3901.70048 .00721 .00500 1.4 77 e 76 e 3900.77290 -.00031 .00500 -.1 78 e 77 e 3899.83276 -.00284 .00500 -.6 79 e 78 e 3898.88044 80 e 79 e 3897.91042 .00268 .00500 .5 81 e 80 e 3896.91749 82 e 81 e 3895.91565 .00596 .00500 1.2 83 e 82 e 3894.88895 .00460 .00500 .9 84 e 83 e 3893.83562 -.00583 .00500 -1.2 85 e 84 e 3892.77951 -.00150 .00500 -.3 86 e 85 e 3891.70647 .00345 .00500 .7 22 f 23 f 3906.94784 .00369 .00500 .7 23 f 24 f 3906.13472 -.00019 .00500 .0 24 f 25 f 3905.29998 -.00837 .00500 -1.7 25 f 26 f 3904.44923 -.01523 1.00000 .0 26 f 27 f 3903.60326 27 f 28 f 3902.72493 .00018 .00500 .0 28 f 29 f 3901.81038 -.01855 1.00000 .0 29 f 30 f 3900.91103 -.00477 .00500 -1.0 30 f 31 f 3899.98352 -.00186 .00500 -.4 31 f 32 f 3899.03532 -.00234 .00500 -.5 32 f 33 f 3898.07265 33 f 34 f 3897.08704 -.00331 .00500 -.7 34 f 35 f 3896.08264 -.00814 .00500 -1.6 35 f 36 f 3895.08453 .01061 1.00000 .0 36 f 37 f 3894.03317 -.00663 .00500 -1.3 37 f 38 f 3892.98904 .00064 .00500 .1 38 f 39 f 3891.91974 39 f 40 f 3890.84830 .01447 1.00000 .0 40 f 41 f 3889.72858 -.00207 .00500 -.4 41 f 42 f 3888.60155 -.00868 .00500 -1.7 42 f 43 f 3887.46262 -.00995 .00500 -2.0 43 f 44 f 3886.31739 -.00028 .00500 -.1 44 f 45 f 3885.13847 -.00706 .00500 -1.4 45 f 46 f 3883.94556 -.01060 1.00500 .0 46 f 47 f 3882.74957 47 f 48 f 3881.50935 -.01640 1.00000 .0 48 f 49 f 3880.28189 -.00283 .00500 -.6 49 f 50 f 3879.02458 -.00191 .00500 -.4 50 f 51 f 3877.75104 51 f 52 f 3876.45991 .00151 .00500 .3 52 f 53 f 3875.15656 .00799 .00500 1.6 53 f 54 f 3873.82154 54 f 55 f 3872.47902 .00169 .00500 .3 55 f 56 f 3871.11843 .00249 .00500 .5 56 f 57 f 3869.74511 .00773 .00500 1.5 57 f 58 f 3868.34191 .00026 .00500 .1 58 f 59 f 3866.92876 59 f 60 f 3865.49857 -.00014 .00500 .0 60 f 61 f 3864.05893 .00742 .00500 1.5 61 f 62 f 3862.58333 -.00383 .00500 -.8 62 f 63 f 3861.11482 .00915 1.00000 .0 63 f 64 f 3859.60503 -.00202 .00500 -.4 64 f 65 f 3858.09272 .00143 .00500 .3 65 f 66 f 3856.55075 -.00767 .00500 -1.5 66 f 67 f 3855.00220 -.00622 .00500 -1.2 67 f 68 f 3853.42564 -.01567 1.00000 .0 68 f 69 f 3851.85710 69 f 70 f 3850.25332 -.00247 .00500 -.5 70 f 71 f 3848.63982 .00244 .00500 .5 71 f 72 f 3847.00488 .00300 .00500 .6 72 f 73 f 3845.34689 -.00241 .00500 -.5 73 f 74 f 3843.66983 -.00981 1.00000 .0 74 f 75 f 3841.99548 .00257 .00500 .5 75 f 76 f 3840.28441 -.00470 .00500 -.9 76 f 77 f 3838.56767 -.00059 .00500 -.1 77 f 78 f 3836.83376 .00341 .00500 .7 78 f 79 f 3835.07707 .00167 .00500 .3 79 f 80 f 3833.30092 -.00248 .00500 -.5 80 f 81 f 3831.51567 .00129 .00500 .3 81 f 82 f 3829.71058 .00226 .00500 .5 82 f 83 f 3827.88878 .00354 .00500 .7 15 f 14 f 3924.67683 .05961 .05000 1.2 16 f 15 f 3924.82355 .06207 .05000 1.2 17 f 16 f 3924.94814 .05985 .05000 1.2 18 f 17 f 3925.05889 .06125 .05000 1.2 19 f 18 f 3925.17496 .08544 .05000 1.7 20 f 19 f 3925.23937 .07543 .05000 1.5 21 f 20 f 3925.27742 .05652 .05000 1.1 22 f 21 f 3925.35856 .09818 .05000 2.0 23 f 22 f 3925.35856 .07617 .05000 1.5 24 f 23 f 3925.35856 .07164 .05000 1.4 25 f 24 f 3925.35856 .08458 .05000 1.7 26 f 25 f 3925.27742 .03386 .05000 .7 27 f 26 f 3925.23937 .04372 .05000 .9 28 f 27 f 3925.17496 .04470 .05000 .9 29 f 28 f 3925.05889 .01151 .05000 .2 30 f 29 f 3924.94814 .00112 .05000 .0 31 f 30 f 3924.82355 -.00561 .05000 -.1 32 f 31 f 3924.67683 -.01698 .05000 -.3 33 f 32 f 3924.54929 .00832 .00500 1.7 34 f 33 f 3924.37015 -.00048 .00500 -.1 35 f 34 f 3924.17461 -.00817 .00500 -1.6 36 f 35 f 3923.97570 -.00174 .00500 -.3 37 f 36 f 3923.74905 -.00554 .00500 -1.1 38 f 37 f 3923.52101 .00677 .00500 1.4 39 f 38 f 3923.25775 .00137 .00500 .3 40 f 39 f 3922.98379 .00277 .00500 .6 41 f 40 f 3922.68867 .00053 .00500 .1 42 f 41 f 3922.37706 -.00069 .00500 -.1 43 f 42 f 3922.05073 .00089 .00500 .2 44 f 43 f 3921.70468 .00026 .00500 .1 45 f 44 f 3921.34368 .00220 .00500 .4 46 f 45 f 3920.96280 .00178 .00500 .4 47 f 46 f 3920.55620 -.00684 .00500 -1.4 48 f 47 f 3920.15231 .00477 .00500 1.0 49 f 48 f 3919.71026 -.00426 .00500 -.9 50 f 49 f 3919.27334 .00937 .00500 1.9 51 f 50 f 3918.80151 .00562 .00500 1.1 52 f 51 f 3918.30758 -.00271 .00500 -.5 53 f 52 f 3917.79331 -.01384 1.00000 .0 54 f 53 f 3917.31103 .02454 1.00000 .0 55 f 54 f 3916.76054 .01225 1.00000 .0 56 f 55 f 3916.19690 .00433 .00500 .9 57 f 56 f 3915.60839 -.01091 1.00000 .0 58 f 57 f 3915.03103 .00253 .00500 .5 59 f 58 f 3914.42109 .00092 .00500 .2 60 f 59 f 3913.79798 .00368 .00500 .7 61 f 60 f 3913.14547 -.00542 .00500 -1.1 62 f 61 f 3912.48987 -.00006 .00500 .0 63 f 62 f 3911.79772 -.01372 1.00000 .0 64 f 63 f 3911.11220 -.00321 .00500 -.6 65 f 64 f 3910.39347 -.00836 .00500 -1.7 66 f 65 f 3909.67155 .00083 .00500 .2 67 f 66 f 3908.92331 .00126 .00500 .3 68 f 67 f 3908.15482 -.00103 .00500 -.2 69 f 68 f 3907.37209 70 f 69 f 3906.56525 -.00555 .00500 -1.1 71 f 70 f 3905.75078 -.00117 .00500 -.2 72 f 71 f 3904.91474 -.00082 .00500 -.2 73 f 72 f 3904.05990 -.00172 .00500 -.3 74 f 73 f 3903.18802 -.00211 .00500 -.4 75 f 74 f 3902.29370 -.00739 .00500 -1.5 76 f 75 f 3901.38194 -.01256 1.00000 .0 77 f 76 f 3900.47177 .00141 .00500 .3 78 f 77 f 3899.52470 -.00397 .00500 -.8 79 f 78 f 3898.56871 -.00072 .00500 -.1 80 f 79 f 3897.59240 -.00024 .00500 .0 81 f 80 f 3896.60053 .00223 .00500 .4 82 f 81 f 3895.58194 -.00447 .00500 -.9 83 f 82 f 3894.55605 -.00092 .00500 -.2 84 f 83 f 3893.51778 .00781 .00500 1.6 85 f 84 f 3892.44542 86 f 85 f 3891.36332 87 f 86 f 3890.27148 .00781 .00500 1.6 88 f 87 f 3889.13007 -.01639 1.00000 .0 89 f 88 f 3888.01561 .00390 .00500 .8 90 f 89 f 3886.85633 -.00307 .00500 -.6 91 f 90 f 3885.70256 .01302 1.00000 .0 92 f 91 f 3884.50109 -.00104 .00500 -.2 93 f 92 f 3883.29968 .00252 .00500 .5 94 f 93 f 3882.07096 -.00369 .00500 -.7 95 f 94 f 3880.82658 -.00800 .00500 -1.6 96 f 95 f 3879.57365 -.00332 .00500 -.7 97 f 96 f 3878.29262 -.00918 .00500 -1.8 12 f 12 e 3919.34225 .00561 .00500 1.1 13 f 13 e 3919.11922 -.00176 .00500 -.4 14 f 14 e 3918.88673 -.00119 .00500 -.2 15 f 15 e 3918.63340 -.00405 .00500 -.8 16 f 16 e 3918.36760 -.00198 .00500 -.4 17 f 17 e 3918.08354 -.00075 .00500 -.2 18 f 18 e 3917.79331 .01170 1.00000 .0 19 f 19 e 3917.45544 -.00608 .00500 -1.2 20 f 20 e 3917.12455 .00053 .00500 .1 21 f 21 e 3916.76054 -.00858 .00500 -1.7 22 f 22 e 3916.40333 .00651 .00500 1.3 23 f 23 e 3916.00797 .00085 .00500 .2 24 f 24 e 3915.60839 .00837 .00500 1.7 25 f 25 e 3915.17774 .00222 .00500 .4 26 f 26 e 3914.73788 .00426 .00500 .9 27 f 27 e 3914.27417 -.00015 .00500 .0 28 f 28 e 3913.79798 .00035 .00500 .1 29 f 29 e 3913.30511 .00157 .00500 .3 30 f 30 e 3912.79075 -.00131 .00500 -.3 31 f 31 e 3912.26250 -.00068 .00500 -.1 32 f 32 e 3911.72006 .00315 .00500 .6 33 f 33 e 3911.14835 -.00490 .00500 -1.0 34 f 34 e 3910.57289 .00069 .00500 .1 35 f 35 e 3909.97354 -.00022 .00500 .0 36 f 36 e 3909.35874 .00080 .00500 .2 37 f 37 e 3908.72538 .00065 .00500 .1 38 f 38 e 3908.07362 -.00052 .00500 -.1 39 f 39 e 3907.40050 -.00566 .00500 -1.1 40 f 40 e 3906.72214 .00134 .00500 .3 41 f 41 e 3906.02194 .00388 .00500 .8 42 f 42 e 3905.29998 .00203 .00500 .4 43 f 43 e 3904.56274 .00228 .00500 .5 44 f 44 e 3903.79871 -.00688 .00500 -1.4 45 f 45 e 3903.03418 .00083 .00500 .2 46 f 46 e 3902.24669 .00295 .00500 .6 47 f 47 e 3901.43911 .00236 .00500 .5 48 f 48 e 3900.61267 .00026 .00500 .1 49 f 49 e 3899.77106 .00037 .00500 .1 50 f 50 e 3898.91161 51 f 51 e 3898.03982 .00465 .00500 .9 52 f 52 e 3897.13730 -.00407 .00500 -.8 53 f 53 e 3896.22693 -.00328 .00500 -.7 54 f 54 e 3895.30145 -.00024 .00500 .0 55 f 55 e 3894.35385 -.00197 .00500 -.4 56 f 56 e 3893.39484 .00225 .00500 .4 57 f 57 e 3892.41873 .00671 .00500 1.3 58 f 58 e 3891.41497 .00087 .00500 .2 59 f 59 e 3890.40332 .00449 .00500 .9 60 f 60 e 3889.36822 .00200 .00500 .4 61 f 61 e 3888.31625 -.00002 .00500 .0 62 f 62 e 3887.24570 -.00328 .00500 -.7 63 f 63 e 3886.16614 .00179 .00500 .4 64 f 64 e 3885.07075 .00836 .00500 1.7 65 f 65 e 3883.94556 .00246 .00500 .5 66 f 66 e 3882.78699 -.01949 1.00000 .0 67 f 67 e 3881.65388 .00135 .00500 .3 68 f 68 e 3880.47820 -.00306 .00500 -.6 69 f 69 e 3879.28952 -.00314 .00500 -.6 70 f 70 e 3878.08734 .00059 .00500 .1 71 f 71 e 3876.86095 -.00257 .00500 -.5 72 f 72 e 3875.62147 -.00151 .00500 -.3 73 f 73 e 3874.36018 -.00495 .00500 -1.0 74 f 74 e 3873.08586 -.00411 .00500 -.8 75 f 75 e 3871.79771 .00021 .00500 .0 76 f 76 e 3870.48420 -.00353 .00500 -.7 77 f 77 e 3869.15871 -.00195 .00500 -.4 16 e 16 f 3918.30758 .00105 .00500 .2 17 e 17 f 3918.02102 .00372 .00500 .7 18 e 18 f 3917.71231 .00164 .00500 .3 19 e 19 f 3917.39366 .00703 .00500 1.4 20 e 20 f 3917.04298 -.00221 .00500 -.4 21 e 21 f 3916.68766 .00131 .00500 .3 22 e 22 f 3916.30354 -.00656 .00500 -1.3 23 e 23 f 3915.91642 -.00002 .00500 .0 24 e 24 f 3915.50950 .00411 .00500 .8 25 e 25 f 3915.07524 -.00170 .00500 -.3 26 e 26 f 3914.64408 .01300 1.00000 .0 27 e 27 f 3914.16792 .00009 .00500 .0 28 e 28 f 3913.68760 .00042 .00500 .1 29 e 29 f 3913.18542 -.00371 .00500 -.7 30 e 30 f 3912.67671 .00302 .00500 .6 31 e 31 f 3912.13860 -.00225 .00500 -.5 32 e 32 f 3911.59196 .00134 .00500 .3 33 e 33 f 3911.02429 .00129 .00500 .3 34 e 34 f 3910.44241 .00443 .00500 .9 35 e 35 f 3909.83877 .00319 .00500 .6 36 e 36 f 3909.20830 -.00749 .00500 -1.5 37 e 37 f 3908.57970 .00110 .00500 .2 38 e 38 f 3907.92491 .00087 .00500 .2 39 e 39 f 3907.25178 -.00031 .00500 -.1 40 e 40 f 3906.56525 .00250 .00500 .5 41 e 41 f 3905.85533 -.00071 .00500 -.1 42 e 42 f 3905.13054 -.00140 .00500 -.3 43 e 43 f 3904.39111 .00064 .00500 .1 44 e 44 f 3903.62556 -.00606 .00500 -1.2 45 e 45 f 3902.85000 -.00539 .00500 -1.1 46 e 46 f 3902.06083 -.00096 .00500 -.2 47 e 47 f 3901.25238 .00156 .00500 .3 48 e 48 f 3900.42760 .00512 .00500 1.0 49 e 49 f 3899.57542 -.00135 .00500 -.3 50 e 50 f 3898.70997 -.00372 .00500 -.7 51 e 51 f 3897.83125 -.00200 .00500 -.4 52 e 52 f 3896.93652 .00108 .00500 .2 53 e 53 f 3896.01956 -.00072 .00500 -.1 54 e 54 f 3895.08453 -.00322 .00500 -.6 55 e 55 f 3894.14053 .00266 .00500 .5 56 e 56 f 3893.17064 57 e 57 f 3892.18530 -.00075 .00500 -.1 58 e 58 f 3891.18452 .00041 .00500 .1 59 e 59 f 3890.16642 .00160 .00500 .3 60 e 60 f 3889.13007 .00189 .00500 .4 61 e 61 f 3888.07132 -.00289 .00500 -.6 62 e 62 f 3887.00368 .00079 .00500 .2 63 e 63 f 3885.91338 -.00085 .00500 -.2 64 e 64 f 3884.81454 .00631 .00500 1.3 65 e 65 f 3883.68753 .00263 .00500 .5 66 e 66 f 3882.54066 -.00357 .00500 -.7 67 e 67 f 3881.38373 -.00251 .00500 -.5 68 e 68 f 3880.21732 .00640 .00500 1.3 69 e 69 f 3879.02458 .00631 .00500 1.3 70 e 70 f 3877.80725 -.00106 .00500 -.2 71 e 71 f 3876.57631 -.00471 .00500 -.9 72 e 72 f 3875.34187 .00545 .00500 1.1 73 e 73 f 3874.06897 -.00553 .00500 -1.1 74 e 74 f 3872.79353 -.00174 .00500 -.3 75 e 75 f 3871.49974 .00101 .00500 .2 76 e 76 f 3870.19025 .00537 .00500 1.1 77 e 77 f 3868.86089 .00715 .00500 1.4 78 e 78 f 3867.51376 .00847 .00500 1.7 79 e 79 f 3866.13623 -.00331 .00500 -.7 80 e 80 f 3864.75274 -.00376 .00500 -.8 81 e 81 f 3863.35197 -.00420 .00500 -.8 82 e 82 f 3861.93993 .00137 .00500 .3 83 e 83 f 3860.50843 .00478 .00500 1.0 84 e 84 f 3859.05669 .00522 .00500 1.0 85 e 85 f 3857.59138 .00938 .00500 1.9 86 e 86 f 3856.09833 .00307 .00500 .6 87 e 87 f 3854.58871 -.00254 .00500 -.5 88 e 88 f 3853.07726 .00730 .00500 1.5 89 e 89 f 3851.52936 -.00206 .00500 -.4 ========================================================= Table S5 The data of the hund's (a) fit of the 0-0 band of the A 4PHI–X 4DELTA transition of CoS ========================================================= OUTPUT FROM LAST LSQ PASS ~~~~~~~~~~~~~~~~~~~~~~~~~ STATE 1 (4DELTA) STATE 1 Ground state 4DELTA v=0 A -1.603000000000D+02 1 AD -2.623785132127D-05 2.941D-09 2 B 2.077591652010D-01 1.662D-08 3 D 1.351809350674D-07 6.638D-12 4 P -3.939377122363D-09 5.677D-10 5 O -1.829589175446D-06 1.471D-07 6 N -6.564455692041D-04 4.340D-07 LAM 2.230000000000D+01 7 LAMD 3.757007792897D-05 3.813D-09 8 ETA -7.150995128839D-01 9.067D-04 STATE 2 (4PHI) STATE 2 excited state 4PHI v=0 9 E 3.704132981721D+03 3.167D-04 10 A -1.631416242392D+02 6.582D-05 11 AD 1.328176697496D-05 3.771D-08 12 B 1.992764164382D-01 2.685D-07 13 D 1.319618052147D-07 6.844D-12 14 LAM 2.603881072115D+00 1.452D-04 15 LAMD 2.028310662314D-05 1.315D-07 16 ETA -2.751552644872D+00 6.335D-04 17 ETAD -2.285562296949D-05 1.773D-07 FINAL VARIANCE 4.972885879207D-01 TABLE OF FITTED DATA ~~~~~~~~~~~~~~~~~~~~ For the 4PHI state: Levels with F = 4 correspond to the 4PHI(9/2) spin component; Levels with F = 3 correspond to the 4PHI(7/2) spin component; Levels with F = 2 correspond to the 4PHI(5/2) spin component; Levels with F = 1 correspond to the 4PHI(3/2) spin component. For the 4DELTA state: Levels with F = 4 correspond to the 4PI(7/2) spin component; Levels with F = 3 correspond to the 4PI(5/2) spin component; Levels with F = 2 correspond to the 4PI(3/2) spin component; Levels with F = 1 correspond to the 4PI(1/2) spin component. Upper State = 1 STATE 1 Ground state 4DELTA v=0 Lower State = 1 STATE 1 Ground state 4DELTA v=0 J PAR F J PAR F OBS OMC SIG DIV # 17 f 4 16 f 4 6.83539439 .00000324 .00000500 .6 18 f 4 17 f 4 7.24934308 .00000335 .00000500 .7 19 f 4 18 f 4 7.66323569 .00000342 .00000500 .7 20 f 4 19 f 4 8.07706903 .00000346 .00000500 .7 30 f 4 29 f 4 12.21143847 .00000274 .00000500 .5 31 f 4 30 f 4 12.62440852 .00000252 .00000500 .5 36 f 4 35 f 4 14.68772901 .00000089 .00000500 .2 37 f 4 36 f 4 15.10006475 .00000047 .00000500 .1 38 f 4 37 f 4 15.51228354 .00000000 .00000500 .0 39 f 4 38 f 4 15.92438222 -.00000048 .00000500 -.1 40 f 4 39 f 4 16.33635751 -.00000104 .00000500 -.2 41 f 4 40 f 4 16.74820628 -.00000162 .00000500 -.3 42 f 4 41 f 4 17.15992529 -.00000224 .00000500 -.4 43 f 4 42 f 4 17.57151134 -.00000290 .00000500 -.6 44 f 4 43 f 4 17.98296124 -.00000359 .00000500 -.7 17 e 4 16 e 4 6.83539439 .00000324 .00000500 .6 18 e 4 17 e 4 7.24934308 .00000335 .00000500 .7 19 e 4 18 e 4 7.66323569 .00000342 .00000500 .7 20 e 4 19 e 4 8.07706903 .00000346 .00000500 .7 30 e 4 29 e 4 12.21143847 .00000274 .00000500 .5 31 e 4 30 e 4 12.62440852 .00000252 .00000500 .5 36 e 4 35 e 4 14.68772901 .00000089 .00000500 .2 37 e 4 36 e 4 15.10006475 .00000047 .00000500 .1 38 e 4 37 e 4 15.51228354 .00000000 .00000500 .0 39 e 4 38 e 4 15.92438222 -.00000048 .00000500 -.1 40 e 4 39 e 4 16.33635751 -.00000104 .00000500 -.2 41 e 4 40 e 4 16.74820628 -.00000162 .00000500 -.3 42 e 4 41 e 4 17.15992529 -.00000224 .00000500 -.4 43 e 4 42 e 4 17.57151134 -.00000290 .00000500 -.6 44 e 4 43 e 4 17.98296124 -.00000359 .00000500 -.7 17 f 3 16 f 3 6.85056495 -.00000663 .00000500 -1.3 18 f 3 17 f 3 7.26542913 -.00000677 .00000500 -1.4 19 f 3 18 f 3 7.68023651 -.00000691 .00000500 -1.4 20 f 3 19 f 3 8.09498396 -.00000696 .00000500 -1.4 28 f 3 27 f 3 11.41041788 -.00000213 .00000500 -.4 29 f 3 28 f 3 11.82447591 -.00000521 .00000500 -1.0 30 f 3 29 f 3 12.23844508 -.00000465 .00000500 -.9 31 f 3 30 f 3 12.65231848 -.00000413 .00000500 -.8 36 f 3 35 f 3 14.72013742 .00000002 .00000500 .0 37 f 3 36 f 3 15.13336868 .00000096 .00000500 .2 38 f 3 37 f 3 15.54648186 .00000227 .00000500 .5 39 f 3 38 f 3 15.95947312 .00000336 .00000500 .7 40 f 3 39 f 3 16.37233982 .00000482 .00000500 1.0 41 f 3 40 f 3 16.78507814 .00000609 .00000500 1.2 42 f 3 41 f 3 17.19768547 .00000780 .00000500 1.6 17 e 3 16 e 3 6.85056495 -.00000663 .00000500 -1.3 18 e 3 17 e 3 7.26542913 -.00000676 .00000500 -1.4 19 e 3 18 e 3 7.68023651 -.00000691 .00000500 -1.4 20 e 3 19 e 3 8.09498396 -.00000695 .00000500 -1.4 28 e 3 27 e 3 11.41041788 -.00000210 .00000500 -.4 29 e 3 28 e 3 11.82447591 -.00000517 .00000500 -1.0 30 e 3 29 e 3 12.23844508 -.00000460 .00000500 -.9 31 e 3 30 e 3 12.65231848 -.00000408 .00000500 -.8 36 e 3 35 e 3 14.72013742 .00000012 .00000500 .0 37 e 3 36 e 3 15.13336868 .00000108 .00000500 .2 38 e 3 37 e 3 15.54648186 .00000240 .00000500 .5 39 e 3 38 e 3 15.95947312 .00000350 .00000500 .7 40 e 3 39 e 3 16.37233982 .00000498 .00000500 1.0 41 e 3 40 e 3 16.78507814 .00000627 .00000500 1.3 42 e 3 41 e 3 17.19768547 .00000799 .00000500 1.6 17 e 2 16 e 2 6.85938298 -.00000338 .00000500 -.7 18 e 2 17 e 2 7.27477993 -.00000346 .00000500 -.7 19 e 2 18 e 2 7.69012022 -.00000316 .00000500 -.6 20 e 2 19 e 2 8.10539986 -.00000317 .00000500 -.6 21 e 2 20 e 2 8.52061636 -.00000275 .00000500 -.6 23 e 2 22 e 2 9.35084538 -.00000210 .00000500 -.4 24 e 2 23 e 2 9.76585126 -.00000198 .00000500 -.4 28 e 2 27 e 2 11.42507779 .00000032 .00000500 .1 29 e 2 28 e 2 11.83966899 .00000147 .00000500 .3 30 e 2 29 e 2 12.25416652 .00000188 .00000500 .4 31 e 2 30 e 2 12.66856885 .00000328 .00000500 .7 32 e 2 31 e 2 13.08287085 .00000380 .00000500 .8 17 f 2 16 f 2 6.85938298 -.00000321 .00000500 -.6 18 f 2 17 f 2 7.27477993 -.00000328 .00000500 -.7 19 f 2 18 f 2 7.69012022 -.00000295 .00000500 -.6 20 f 2 19 f 2 8.10539986 -.00000295 .00000500 -.6 21 f 2 20 f 2 8.52061636 -.00000250 .00000500 -.5 23 f 2 22 f 2 9.35084538 -.00000179 .00000500 -.4 24 f 2 23 f 2 9.76585126 -.00000165 .00000500 -.3 28 f 2 27 f 2 11.42507779 .00000078 .00000500 .2 29 f 2 28 f 2 11.83966899 .00000198 .00000500 .4 30 f 2 29 f 2 12.25416652 .00000243 .00000500 .5 31 f 2 30 f 2 12.66856885 .00000386 .00000500 .8 32 f 2 31 f 2 13.08287085 .00000442 .00000500 .9 15 f 1 14 f 1 6.03886781 .00000250 .00000500 .5 17 f 1 16 f 1 6.87098630 .00000268 .00000500 .5 18 f 1 17 f 1 7.28696629 .00000276 .00000500 .6 19 f 1 18 f 1 7.70288908 .00000281 .00000500 .6 20 f 1 19 f 1 8.11875139 .00000285 .00000500 .6 21 f 1 20 f 1 8.53454996 .00000286 .00000500 .6 39 f 1 38 f 1 16.00429575 -.00000200 .00000500 -.4 40 f 1 39 f 1 16.41826185 -.00000263 .00000500 -.5 42 f 1 41 f 1 17.24580338 -.00000398 .00000500 -.8 15 e 1 14 e 1 6.03492465 .00000310 .00000500 .6 17 e 1 16 e 1 6.86704164 .00000328 .00000500 .7 18 e 1 17 e 1 7.28302080 .00000334 .00000500 .7 19 e 1 18 e 1 7.69894272 .00000340 .00000500 .7 20 e 1 19 e 1 8.11480410 .00000343 .00000500 .7 21 e 1 20 e 1 8.53060166 .00000341 .00000500 .7 39 e 1 38 e 1 16.00032147 -.00000176 .00000500 -.4 40 e 1 39 e 1 16.41428566 -.00000241 .00000500 -.5 42 e 1 41 e 1 17.24182322 -.00000382 .00000500 -.8 Upper State = 2 STATE 2 excited state 4PHI v=0 Lower State = 1 STATE 1 Ground state 4DELTA v=0 J PAR F J PAR F OBS OMC SIG DIV # 12 f 4 11 f 4 3412.54762 .03190 .05000 .6 13 f 4 12 f 4 3412.75111 .02345 .05000 .5 14 f 4 13 f 4 3412.94655 .02316 .05000 .5 15 f 4 14 f 4 3413.12633 .02343 .05000 .5 16 f 4 15 f 4 3413.28266 .01648 .05000 .3 17 f 4 16 f 4 3413.43945 .02620 .05000 .5 18 f 4 17 f 4 3413.55994 .01586 .05000 .3 19 f 4 18 f 4 3413.68143 .02274 .05000 .5 20 f 4 19 f 4 3413.78540 .02833 .05000 .6 21 f 4 20 f 4 3413.88820 .04898 .05000 1.0 22 f 4 21 f 4 3413.93450 .02937 .05000 .6 23 f 4 22 f 4 3413.98890 .03410 .05000 .7 24 f 4 23 f 4 3413.98890 .00066 .05000 .0 25 f 4 24 f 4 3413.98890 -.01653 .05000 -.3 26 f 4 25 f 4 3413.98890 -.01748 .05000 -.3 27 f 4 26 f 4 3413.98890 -.00219 .05000 .0 28 f 4 27 f 4 3413.98890 .02935 .05000 .6 29 f 4 28 f 4 3413.93450 .02274 .05000 .5 30 f 4 29 f 4 3413.88820 .04048 .05000 .8 31 f 4 30 f 4 3413.78540 .01797 .05000 .4 32 f 4 31 f 4 3413.68143 .01054 .05000 .2 33 f 4 32 f 4 3413.55994 .00185 .05000 .0 34 f 4 33 f 4 3413.43945 .01042 .05000 .2 35 f 4 34 f 4 3413.28266 -.00106 .00500 -.2 36 f 4 35 f 4 3413.12633 .00419 .00500 .8 37 f 4 36 f 4 3412.94655 .00224 .00500 .4 38 f 4 37 f 4 3412.75111 .00090 .00500 .2 39 f 4 38 f 4 3412.54762 .00777 .00500 1.6 40 f 4 39 f 4 3412.31933 .00610 .00500 1.2 41 f 4 40 f 4 3412.07584 .00551 .00500 1.1 42 f 4 41 f 4 3411.81707 .00589 .00500 1.2 43 f 4 42 f 4 3411.53969 .00394 .00500 .8 44 f 4 43 f 4 3411.24548 .00143 .00500 .3 45 f 4 44 f 4 3410.93449 -.00160 .00500 -.3 46 f 4 45 f 4 3410.61667 .00482 .00500 1.0 47 f 4 46 f 4 3410.27588 .00454 .00500 .9 48 f 4 47 f 4 3409.91310 -.00146 .00500 -.3 49 f 4 48 f 4 3409.54422 .00272 .00500 .5 50 f 4 49 f 4 3409.15350 .00132 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