The first section of this file is the fit for 107AgO The second section is the fit for 109AgO *** 107AgO A2Sigma - X2Pi FINAL FIT: AUGUST 17, 1996 VARIANCE OF THE FIT .1719447D+00 COSINE: .2300351E+00 LAMBDA: .100E-05 CONVERGENCE OUTPUT FROM LAST LSQ PASS FINAL STANDARD NUMBER NAME VALUE DEVIATION 1 E1S .829442161D+04 .4105D-03 2 B1S .323508714D+00 .9129D-05 3 D1S .534042261D-06 .2737D-08 H1S .000000000D+00 4 GAM1S -.374382702D-01 .3262D-04 5 GAMD1S .783443068D-06 .1268D-07 E2P .000000000D+00 6 A2P -.269315715D+03 .8206D-03 7 AD2P .161312870D-02 .1528D-05 GAM2P .000000000D+00 8 GAMD2P -.207736060D-05 .1905D-06 9 B2P .301368281D+00 .9118D-05 10 D2P .458825264D-06 .2700D-08 H2P .000000000D+00 11 Q2P -.302412938D-04 .5991D-05 12 P2P -.573053157D-02 .4386D-04 QD2P .000000000D+00 13 PD2P .172692729D-06 .2206D-07 QH2P .000000000D+00 PH2P .000000000D+00 CORRELATION MATRIX ELEMENTS ARE ARRANGED BY PARAMETER NUMBERS 1.0000 -.0152 -.0482 -.0847 .0671 -.0761 .1564 -.1909 .0397 .0015 -.0977 .0906 .0104 -.0152 1.0000 .8795 .4130 -.3942 .0626 -.0836 .1153 .9975 .8811 -.0835 -.1305 .2957 -.0482 .8795 1.0000 .2522 -.2805 .0465 -.0405 .0817 .8700 .9969 -.1728 -.1949 .4804 -.0847 .4130 .2522 1.0000 -.8991 -.0075 -.0870 .1629 .4135 .2484 .1715 -.3267 .0581 .0671 -.3942 -.2805 -.8991 1.0000 -.0463 .1708 -.2398 -.3974 -.2781 -.0161 .1827 -.1004 -.0761 .0626 .0465 -.0075 -.0463 1.0000 -.7777 .6191 .0645 .0327 .0391 .0304 -.0429 .1564 -.0836 -.0405 -.0870 .1708 -.7777 1.0000 -.9445 -.0847 -.0140 -.1688 -.0070 .1374 -.1909 .1153 .0817 .1629 -.2398 .6191 -.9445 1.0000 .1121 .0451 .3092 -.0727 -.1893 .0397 .9975 .8700 .4135 -.3974 .0645 -.0847 .1121 1.0000 .8762 -.0905 -.1211 .2927 .0015 .8811 .9969 .2484 -.2781 .0327 -.0140 .0451 .8762 1.0000 -.2018 -.1817 .4944 -.0977 -.0835 -.1728 .1715 -.0161 .0391 -.1688 .3092 -.0905 -.2018 1.0000 -.3228 -.6388 .0906 -.1305 -.1949 -.3267 .1827 .0304 -.0070 -.0727 -.1211 -.1817 -.3228 1.0000 -.4515 .0104 .2957 .4804 .0581 -.1004 -.0429 .1374 -.1893 .2927 .4944 -.6388 -.4515 1.0000 NUMBER OF LSQ PASSES = 7 FIT TO EXPERIMENTAL POINTS J1 STATE1 PARITY1 J2 STATE2 PARITY2 EXPT CALC EXPT-CALC EXPTL STD DEV 4.5 1 E 5.5 6 E 8155.00970 8155.00948 .00022 .01000 5.5 1 E 6.5 6 E 8154.30906 8154.31152 -.00246 .01000 6.5 1 E 7.5 6 E 8153.65905 8153.65888 .00017 .01000 7.5 1 E 8.5 6 E 8153.05147 8153.05154 -.00007 .01000 8.5 1 E 9.5 6 E 8152.49062 8152.48954 .00108 .01000 9.5 1 E 10.5 6 E 8151.97561 8151.97285 .00276 .01000 10.5 1 E 11.5 6 E 8151.50374 8151.50150 .00224 .01000 11.5 1 E 12.5 6 E 8151.07733 8151.07547 .00186 .01000 12.5 1 E 13.5 6 E 8150.69583 8150.69478 .00105 .01000 13.5 1 E 14.5 6 E 8150.36247 8150.35941 .00306 .01000 14.5 1 E 15.5 6 E 8150.07283 8150.06936 .00347 .01000 15.5 1 E 16.5 6 E 8149.82662 8149.82462 .00200 .01000 16.5 1 E 17.5 6 E 8149.63042 8149.62518 .00524 .01000 17.5 1 E 18.5 6 E 8149.47596 8149.47105 .00491 .01000 18.5 1 E 19.5 6 E 8149.36871 8149.36219 .00652 .01000 19.5 1 E 20.5 6 E 8149.30563 8149.29860 .00703 .01000 20.5 1 E 21.5 6 E 8149.28533 8149.28026 .00507 .01000 21.5 1 E 22.5 6 E 8149.30563 8149.30716 -.00153 .01000 22.5 1 E 23.5 6 E 8149.37031 8149.37927 -.00896 .11000 23.5 1 E 24.5 6 E 8149.50086 8149.49658 .00428 .01000 24.5 1 E 25.5 6 E 8149.66018 8149.65905 .00113 .01000 25.5 1 E 26.5 6 E 8149.86898 8149.86666 .00232 .01000 26.5 1 E 27.5 6 E 8150.12135 8150.11940 .00195 .01000 27.5 1 E 28.5 6 E 8150.41947 8150.41722 .00225 .01000 28.5 1 E 29.5 6 E 8150.76060 8150.76010 .00050 .01000 29.5 1 E 30.5 6 E 8151.14903 8151.14800 .00103 .01000 30.5 1 E 31.5 6 E 8151.58162 8151.58089 .00073 .01000 31.5 1 E 32.5 6 E 8152.05920 8152.05874 .00046 .01000 32.5 1 E 33.5 6 E 8152.58198 8152.58150 .00048 .01000 33.5 1 E 34.5 6 E 8153.14724 8153.14914 -.00190 .01000 34.5 1 E 35.5 6 E 8153.75989 8153.76160 -.00171 .01000 35.5 1 E 36.5 6 E 8154.41789 8154.41886 -.00097 .01000 36.5 1 E 37.5 6 E 8155.11491 8155.12086 -.00595 .01000 4.5 1 F 5.5 6 F 8158.46888 8158.46611 .00277 .01000 5.5 1 F 6.5 6 F 8158.45888 8158.45812 .00076 .01000 6.5 1 F 7.5 6 F 8158.48842 8158.49533 -.00691 .01000 7.5 1 F 8.5 6 F 8158.58061 8158.57772 .00289 .01000 8.5 1 F 9.5 6 F 8158.70041 8158.70530 -.00489 .01000 9.5 1 F 10.5 6 F 8158.88241 8158.87803 .00438 .01000 10.5 1 F 11.5 6 F 8159.09011 8159.09591 -.00580 .01000 11.5 1 F 12.5 6 F 8159.35486 8159.35892 -.00406 .01000 12.5 1 F 13.5 6 F 8159.66104 8159.66704 -.00600 .01000 13.5 1 F 14.5 6 F 8160.01612 8160.02025 -.00413 .01000 14.5 1 F 15.5 6 F 8160.41394 8160.41852 -.00458 .01000 15.5 1 F 16.5 6 F 8160.84471 8160.86183 -.01712 .03000 16.5 1 F 17.5 6 F 8161.33763 8161.35015 -.01252 .03000 17.5 1 F 18.5 6 F 8161.87718 8161.88346 -.00628 .01000 18.5 1 F 19.5 6 F 8162.46589 8162.46172 .00417 .01000 19.5 1 F 20.5 6 F 8163.08951 8163.08491 .00460 .01000 20.5 1 F 21.5 6 F 8163.75241 8163.75298 -.00057 .01000 21.5 1 F 22.5 6 F 8164.46689 8164.46590 .00099 .01000 22.5 1 F 23.5 6 F 8165.22581 8165.22364 .00217 .01000 23.5 1 F 24.5 6 F 8166.02871 8166.02615 .00256 .01000 24.5 1 F 25.5 6 F 8166.87514 8166.87339 .00175 .01000 40.5 1 F 41.5 6 F 8186.46846 8186.47168 -.00322 .01000 41.5 1 F 42.5 6 F 8188.07074 8188.07121 -.00047 .01000 42.5 1 F 43.5 6 F 8189.71561 8189.71440 .00121 .01000 43.5 1 F 44.5 6 F 8191.40700 8191.40118 .00582 .01000 44.5 1 F 45.5 6 F 8193.12422 8193.13148 -.00726 .01000 45.5 1 F 46.5 6 F 8194.90174 8194.90520 -.00346 .01000 46.5 1 F 47.5 6 F 8196.72193 8196.72227 -.00034 .01000 47.5 1 F 48.5 6 F 8198.58653 8198.58261 .00392 .01000 48.5 1 F 49.5 6 F 8200.48591 8200.48613 -.00022 .01000 49.5 1 F 50.5 6 F 8202.43272 8202.43273 -.00001 .01000 50.5 1 F 51.5 6 F 8204.42621 8204.42234 .00387 .01000 51.5 1 F 52.5 6 F 8206.45145 8206.45485 -.00340 .01000 52.5 1 F 53.5 6 F 8208.52430 8208.53018 -.00588 .01000 53.5 1 F 54.5 6 F 8210.64642 8210.64823 -.00181 .01000 54.5 1 F 55.5 6 F 8212.80792 8212.80890 -.00098 .01000 55.5 1 F 56.5 6 F 8215.01752 8215.01209 .00543 .01000 56.5 1 F 57.5 6 F 8217.26723 8217.25771 .00952 .01000 57.5 1 F 58.5 6 F 8219.54520 8219.54565 -.00045 .01000 58.5 1 F 59.5 6 F 8221.88137 8221.87580 .00557 .01000 3.5 1 E 3.5 6 F 8158.48846 8158.48671 .00175 .01000 4.5 1 E 4.5 6 F 8158.34266 8158.35090 -.00824 .01000 5.5 1 E 5.5 6 F 8158.25649 8158.26032 -.00383 .01000 6.5 1 E 6.5 6 F 8158.20966 8158.21498 -.00532 .01000 7.5 1 E 7.5 6 F 8158.20966 8158.21487 -.00521 .01000 8.5 1 E 8.5 6 F 8158.25649 8158.25998 -.00349 .01000 9.5 1 E 9.5 6 F 8158.35033 8158.35030 .00003 .01000 10.5 1 E 10.5 6 F 8158.48842 8158.48583 .00259 .01000 11.5 1 E 11.5 6 F 8158.66271 8158.66656 -.00385 .01000 12.5 1 E 12.5 6 F 8158.88874 8158.89247 -.00373 .01000 13.5 1 E 13.5 6 F 8159.16123 8159.16355 -.00232 .01000 14.5 1 E 14.5 6 F 8159.47485 8159.47978 -.00493 .01000 15.5 1 E 15.5 6 F 8159.84032 8159.84114 -.00082 .01000 16.5 1 E 16.5 6 F 8160.24490 8160.24761 -.00271 .01000 17.5 1 E 17.5 6 F 8160.69321 8160.69918 -.00597 .01000 18.5 1 E 18.5 6 F 8161.18559 8161.19581 -.01022 .03000 19.5 1 E 19.5 6 F 8161.73121 8161.73748 -.00627 .03000 20.5 1 E 20.5 6 F 8162.33191 8162.32417 .00774 .01000 21.5 1 E 21.5 6 F 8162.96094 8162.95584 .00510 .01000 22.5 1 E 22.5 6 F 8163.63891 8163.63246 .00645 .01000 23.5 1 E 23.5 6 F 8164.35852 8164.35400 .00452 .01000 24.5 1 E 24.5 6 F 8165.12472 8165.12043 .00429 .01000 25.5 1 E 25.5 6 F 8165.93666 8165.93170 .00496 .01000 26.5 1 E 26.5 6 F 8166.79192 8166.78778 .00414 .01000 47.5 1 E 47.5 6 F 8195.02914 8195.02791 .00123 .01000 48.5 1 E 48.5 6 F 8196.85523 8196.85622 -.00099 .01000 49.5 1 E 49.5 6 F 8198.73095 8198.72794 .00301 .01000 50.5 1 E 50.5 6 F 8200.64517 8200.64299 .00218 .01000 51.5 1 E 51.5 6 F 8202.60189 8202.60127 .00062 .01000 52.5 1 E 52.5 6 F 8204.60000 8204.60270 -.00270 1.11000 53.5 1 E 53.5 6 F 8206.64632 8206.64719 -.00087 .01000 54.5 1 E 54.5 6 F 8208.73507 8208.73465 .00042 .01000 55.5 1 E 55.5 6 F 8210.86254 8210.86499 -.00245 .01000 56.5 1 E 56.5 6 F 8213.03761 8213.03812 -.00051 .01000 57.5 1 E 57.5 6 F 8215.25224 8215.25394 -.00170 .01000 58.5 1 E 58.5 6 F 8217.51364 8217.51234 .00130 .01000 59.5 1 E 59.5 6 F 8219.81316 8219.81324 -.00008 .01000 60.5 1 E 60.5 6 F 8222.15787 8222.15652 .00135 .01000 61.5 1 E 61.5 6 F 8224.54420 8224.54209 .00211 .01000 62.5 1 E 62.5 6 F 8226.96591 8226.96984 -.00393 .01000 63.5 1 E 63.5 6 F 8229.44118 8229.43966 .00152 .01000 64.5 1 E 64.5 6 F 8232.00000 8231.95145 .04855 1.11000 65.5 1 E 65.5 6 F 8234.50216 8234.50508 -.00292 .01000 66.5 1 E 66.5 6 F 8237.09782 8237.10046 -.00264 .01000 14.5 1 F 13.5 6 F 8178.49966 8178.45441 .04525 1.01000 15.5 1 F 14.5 6 F 8180.10165 8180.09869 .00296 .01000 16.5 1 F 15.5 6 F 8181.78818 8181.78763 .00055 .01000 17.5 1 F 16.5 6 F 8183.52709 8183.52119 .00590 .01000 18.5 1 F 17.5 6 F 8185.29851 8185.29931 -.00080 .01000 19.5 1 F 18.5 6 F 8187.12229 8187.12193 .00036 .01000 20.5 1 F 19.5 6 F 8188.99208 8188.98900 .00308 .01000 21.5 1 F 20.5 6 F 8190.90314 8190.90046 .00268 .01000 22.5 1 F 21.5 6 F 8192.85961 8192.85626 .00335 .01000 23.5 1 F 22.5 6 F 8194.85632 8194.85632 .00000 .01000 24.5 1 F 23.5 6 F 8196.85523 8196.90059 -.04536 1.11000 25.5 1 F 24.5 6 F 8199.12443 8198.98900 .13543 1.11000 26.5 1 F 25.5 6 F 8201.11823 8201.12149 -.00326 .01000 27.5 1 F 26.5 6 F 8203.29888 8203.29798 .00090 .01000 28.5 1 F 27.5 6 F 8205.52266 8205.51840 .00426 .01000 29.5 1 F 28.5 6 F 8207.78314 8207.78268 .00046 .01000 30.5 1 F 29.5 6 F 8210.09397 8210.09075 .00322 .01000 31.5 1 F 30.5 6 F 8212.44572 8212.44253 .00319 .01000 32.5 1 F 31.5 6 F 8214.84288 8214.83794 .00494 .01000 33.5 1 F 32.5 6 F 8217.26723 8217.27691 -.00968 .01000 34.5 1 F 33.5 6 F 8219.76396 8219.75934 .00462 .01000 35.5 1 F 34.5 6 F 8222.28366 8222.28515 -.00149 .01000 36.5 1 F 35.5 6 F 8224.85135 8224.85427 -.00292 .01000 37.5 1 F 36.5 6 F 8227.46504 8227.46660 -.00156 .01000 38.5 1 F 37.5 6 F 8230.12030 8230.12205 -.00175 .01000 39.5 1 F 38.5 6 F 8232.81873 8232.82053 -.00180 .01000 40.5 1 F 39.5 6 F 8235.55859 8235.56195 -.00336 .01000 41.5 1 F 40.5 6 F 8238.34620 8238.34621 -.00001 .01000 42.5 1 F 41.5 6 F 8241.17722 8241.17322 .00400 .01000 43.5 1 F 42.5 6 F 8244.03817 8244.04287 -.00470 .01000 44.5 1 F 43.5 6 F 8246.95618 8246.95508 .00110 .01000 45.5 1 F 44.5 6 F 8249.91226 8249.90972 .00254 .01000 46.5 1 F 45.5 6 F 8252.90347 8252.90671 -.00324 .01000 47.5 1 F 46.5 6 F 8255.94365 8255.94593 -.00228 .01000 48.5 1 F 47.5 6 F 8259.02978 8259.02728 .00250 .01000 49.5 1 F 48.5 6 F 8262.14727 8262.15064 -.00337 .01000 50.5 1 F 49.5 6 F 8265.31269 8265.31590 -.00321 .01000 51.5 1 F 50.5 6 F 8268.52024 8268.52296 -.00272 .01000 4.5 1 E 3.5 6 E 8161.02606 8161.03278 -.00672 .01000 5.5 1 E 4.5 6 E 8161.54042 8161.53809 .00233 .01000 6.5 1 E 5.5 6 E 8162.08306 8162.08857 -.00551 .01000 7.5 1 E 6.5 6 E 8162.68471 8162.68421 .00050 .01000 8.5 1 E 7.5 6 E 8163.32746 8163.32500 .00246 .01000 9.5 1 E 8.5 6 E 8164.01054 8164.01092 -.00038 .01000 10.5 1 E 9.5 6 E 8164.74328 8164.74194 .00134 .01000 11.5 1 E 10.5 6 E 8165.55737 8165.51805 .03932 1.11000 12.5 1 E 11.5 6 E 8166.34357 8166.33923 .00434 .01000 13.5 1 E 12.5 6 E 8167.20559 8167.20545 .00014 .01000 14.5 1 E 13.5 6 E 8168.11649 8168.11667 -.00018 .01000 15.5 1 E 14.5 6 E 8169.07107 8169.07289 -.00182 .01000 16.5 1 E 15.5 6 E 8170.07358 8170.07405 -.00047 .01000 17.5 1 E 16.5 6 E 8171.12036 8171.12014 .00022 .01000 18.5 1 E 17.5 6 E 8172.21005 8172.21111 -.00106 .01000 19.5 1 E 18.5 6 E 8173.34776 8173.34693 .00083 .01000 20.5 1 E 19.5 6 E 8174.52650 8174.52757 -.00107 .01000 21.5 1 E 20.5 6 E 8175.75420 8175.75298 .00122 .01000 22.5 1 E 21.5 6 E 8177.02281 8177.02312 -.00031 .01000 23.5 1 E 22.5 6 E 8178.33808 8178.33794 .00014 .01000 24.5 1 E 23.5 6 E 8179.69593 8179.69741 -.00148 .01000 25.5 1 E 24.5 6 E 8181.10074 8181.10147 -.00073 .01000 26.5 1 E 25.5 6 E 8182.54840 8182.55008 -.00168 .01000 27.5 1 E 26.5 6 E 8184.04081 8184.04319 -.00238 .01000 28.5 1 E 27.5 6 E 8185.58103 8185.58074 .00029 .01000 29.5 1 E 28.5 6 E 8187.16141 8187.16267 -.00126 .01000 30.5 1 E 29.5 6 E 8188.78887 8188.78894 -.00007 .01000 31.5 1 E 30.5 6 E 8190.45854 8190.45947 -.00093 .01000 32.5 1 E 31.5 6 E 8192.17571 8192.17422 .00149 .01000 33.5 1 E 32.5 6 E 8193.93392 8193.93313 .00079 .01000 34.5 1 E 33.5 6 E 8195.73441 8195.73611 -.00170 .01000 35.5 1 E 34.5 6 E 8197.58073 8197.58312 -.00239 .01000 36.5 1 E 35.5 6 E 8199.47365 8199.47408 -.00043 .01000 37.5 1 E 36.5 6 E 8201.40970 8201.40893 .00077 .01000 38.5 1 E 37.5 6 E 8203.38735 8203.38759 -.00024 .01000 39.5 1 E 38.5 6 E 8205.40409 8205.40999 -.00590 .01000 40.5 1 E 39.5 6 E 8207.47585 8207.47605 -.00020 .01000 41.5 1 E 40.5 6 E 8209.58383 8209.58570 -.00187 .01000 42.5 1 E 41.5 6 E 8211.74043 8211.73886 .00157 .01000 43.5 1 E 42.5 6 E 8213.93395 8213.93545 -.00150 .01000 44.5 1 E 43.5 6 E 8216.17646 8216.17538 .00108 .01000 45.5 1 E 44.5 6 E 8218.45726 8218.45858 -.00132 .01000 46.5 1 E 45.5 6 E 8220.78524 8220.78495 .00029 .01000 47.5 1 E 46.5 6 E 8223.14978 8223.15440 -.00462 .01000 48.5 1 E 47.5 6 E 8225.56951 8225.56686 .00265 .01000 49.5 1 E 48.5 6 E 8228.01695 8228.02222 -.00527 .01000 50.5 1 E 49.5 6 E 8230.52191 8230.52040 .00151 .01000 51.5 1 E 50.5 6 E 8233.06558 8233.06129 .00429 .01000 52.5 1 E 51.5 6 E 8235.64415 8235.64480 -.00065 .01000 53.5 1 E 52.5 6 E 8238.27278 8238.27083 .00195 .01000 54.5 1 E 53.5 6 E 8240.93799 8240.93928 -.00129 .01000 55.5 1 E 54.5 6 E 8243.60000 8243.65005 -.05005 1.11000 56.5 1 E 55.5 6 E 8246.40466 8246.40303 .00163 .01000 57.5 1 E 56.5 6 E 8249.20307 8249.19811 .00496 .01000 58.5 1 E 57.5 6 E 8252.04632 8252.03519 .01113 .01000 59.5 1 E 58.5 6 E 8254.92079 8254.91416 .00663 .01000 60.5 1 E 59.5 6 E 8257.83605 8257.83490 .00115 .01000 61.5 1 E 60.5 6 E 8260.79276 8260.79731 -.00455 .01000 62.5 1 E 61.5 6 E 8263.80368 8263.80126 .00242 .01000 63.5 1 E 62.5 6 E 8266.84155 8266.84663 -.00508 .01000 36.5 1 F 36.5 6 E 8202.77066 8202.77156 -.00090 .01000 37.5 1 F 37.5 6 E 8204.80000 8204.78426 .01574 1.11000 38.5 1 F 38.5 6 E 8206.83841 8206.84052 -.00211 .01000 39.5 1 F 39.5 6 E 8208.93923 8208.94026 -.00103 .01000 40.5 1 F 40.5 6 E 8211.08068 8211.08340 -.00272 .01000 41.5 1 F 41.5 6 E 8213.26816 8213.26985 -.00169 .01000 42.5 1 F 42.5 6 E 8215.49807 8215.49953 -.00146 .01000 43.5 1 F 43.5 6 E 8217.77116 8217.77235 -.00119 .01000 44.5 1 F 44.5 6 E 8220.08678 8220.08823 -.00145 .01000 45.5 1 F 45.5 6 E 8222.44503 8222.44706 -.00203 .01000 46.5 1 F 46.5 6 E 8224.85135 8224.84877 .00258 .01000 47.5 1 F 47.5 6 E 8227.29064 8227.29325 -.00261 .01000 48.5 1 F 48.5 6 E 8229.77990 8229.78040 -.00050 .01000 49.5 1 F 49.5 6 E 8232.30950 8232.31014 -.00064 .01000 50.5 1 F 50.5 6 E 8234.88129 8234.88236 -.00107 .01000 51.5 1 F 51.5 6 E 8237.49878 8237.49695 .00183 .01000 52.5 1 F 52.5 6 E 8240.15377 8240.15382 -.00005 .01000 53.5 1 F 53.5 6 E 8242.90000 8242.85285 .04715 1.11000 54.5 1 F 54.5 6 E 8245.60000 8245.59395 .00605 1.11000 55.5 1 F 55.5 6 E 8248.37606 8248.37700 -.00094 .01000 56.5 1 F 56.5 6 E 8251.20228 8251.20188 .00040 .01000 57.5 1 F 57.5 6 E 8254.06392 8254.06850 -.00458 .01000 58.5 1 F 58.5 6 E 8256.97689 8256.97672 .00017 .01000 59.5 1 F 59.5 6 E 8259.92616 8259.92644 -.00028 .01000 60.5 1 F 60.5 6 E 8262.91761 8262.91754 .00007 .01000 61.5 1 F 61.5 6 E 8265.94956 8265.94989 -.00033 .01000 62.5 1 F 62.5 6 E 8269.02187 8269.02338 -.00151 .01000 1.5 1 E 2.5 5 E 8427.28731 8427.29308 -.00577 .01000 2.5 1 E 3.5 5 E 8426.40000 8426.45559 -.05559 1.00000 3.5 1 E 4.5 5 E 8425.66026 8425.66149 -.00123 .01000 4.5 1 E 5.5 5 E 8424.91918 8424.91079 .00839 .01000 5.5 1 E 6.5 5 E 8424.20898 8424.20351 .00547 .01000 6.5 1 E 7.5 5 E 8423.50000 8423.53967 -.03967 1.01000 7.5 1 E 8.5 5 E 8422.92138 8422.91926 .00212 .01000 8.5 1 E 9.5 5 E 8422.34206 8422.34229 -.00023 .01000 9.5 1 E 10.5 5 E 8421.80000 8421.80877 -.00877 1.01000 10.5 1 E 11.5 5 E 8421.32003 8421.31871 .00132 .01000 11.5 1 E 12.5 5 E 8420.87613 8420.87210 .00403 .01000 12.5 1 E 13.5 5 E 8420.49764 8420.46894 .02870 .11000 13.5 1 E 14.5 5 E 8420.11231 8420.10924 .00307 .01000 14.5 1 E 15.5 5 E 8419.79581 8419.79298 .00283 .01000 15.5 1 E 16.5 5 E 8419.52448 8419.52017 .00431 .01000 16.5 1 E 17.5 5 E 8419.29514 8419.29079 .00435 .01000 17.5 1 E 18.5 5 E 8419.10949 8419.10483 .00466 .01000 18.5 1 E 19.5 5 E 8418.96772 8418.96230 .00542 .01000 19.5 1 E 20.5 5 E 8418.86489 8418.86316 .00173 .01000 20.5 1 E 21.5 5 E 8418.81368 8418.80742 .00626 .01000 21.5 1 E 22.5 5 E 8418.79696 8418.79504 .00192 .01000 22.5 1 E 23.5 5 E 8418.83098 8418.82603 .00495 .01000 23.5 1 E 24.5 5 E 8418.90296 8418.90034 .00262 .01000 24.5 1 E 25.5 5 E 8419.02273 8419.01797 .00476 .01000 25.5 1 E 26.5 5 E 8419.18052 8419.17889 .00163 .01000 26.5 1 E 27.5 5 E 8419.38878 8419.38308 .00570 .01000 27.5 1 E 28.5 5 E 8419.63218 8419.63050 .00168 .01000 28.5 1 E 29.5 5 E 8419.92388 8419.92114 .00274 .01000 29.5 1 E 30.5 5 E 8420.25703 8420.25496 .00207 .01000 30.5 1 E 31.5 5 E 8420.63333 8420.63192 .00141 .01000 31.5 1 E 32.5 5 E 8421.05436 8421.05200 .00236 .01000 32.5 1 E 33.5 5 E 8421.51703 8421.51516 .00187 .01000 33.5 1 E 34.5 5 E 8422.02054 8422.02136 -.00082 .01000 34.5 1 E 35.5 5 E 8422.57077 8422.57057 .00020 .01000 35.5 1 E 36.5 5 E 8423.16025 8423.16273 -.00248 .01000 36.5 1 E 37.5 5 E 8423.79559 8423.79782 -.00223 .01000 37.5 1 E 38.5 5 E 8424.47558 8424.47579 -.00021 .01000 38.5 1 E 39.5 5 E 8425.19419 8425.19658 -.00239 .01000 39.5 1 E 40.5 5 E 8425.95611 8425.96016 -.00405 .01000 40.5 1 E 41.5 5 E 8426.76088 8426.76646 -.00558 .01000 41.5 1 E 42.5 5 E 8427.60515 8427.61546 -.01031 .01000 4.5 1 E 4.5 5 F 8428.23490 8428.23071 .00419 .01000 5.5 1 E 5.5 5 F 8428.12673 8428.12691 -.00018 .01000 6.5 1 E 6.5 5 F 8428.05576 8428.06646 -.01070 .01000 7.5 1 E 7.5 5 F 8428.04067 8428.04936 -.00869 .01000 8.5 1 E 8.5 5 F 8428.07340 8428.07561 -.00221 .01000 9.5 1 E 9.5 5 F 8428.14411 8428.14520 -.00109 .01000 10.5 1 E 10.5 5 F 8428.25627 8428.25813 -.00186 .01000 11.5 1 E 11.5 5 F 8428.40990 8428.41437 -.00447 .01000 12.5 1 E 12.5 5 F 8428.61130 8428.61393 -.00263 .01000 13.5 1 E 13.5 5 F 8428.84755 8428.85678 -.00923 .01000 14.5 1 E 14.5 5 F 8429.13326 8429.14292 -.00966 .01000 15.5 1 E 15.5 5 F 8429.45800 8429.47233 -.01433 .01000 16.5 1 E 16.5 5 F 8429.83804 8429.84498 -.00694 .01000 17.5 1 E 17.5 5 F 8430.25349 8430.26085 -.00736 .01000 18.5 1 E 18.5 5 F 8430.70434 8430.71993 -.01559 .01000 19.5 1 E 19.5 5 F 8431.21265 8431.22219 -.00954 .01000 20.5 1 E 20.5 5 F 8431.75802 8431.76761 -.00959 .01000 21.5 1 E 21.5 5 F 8432.35956 8432.35615 .00341 .01000 22.5 1 E 22.5 5 F 8432.99072 8432.98779 .00293 .01000 23.5 1 E 23.5 5 F 8433.65316 8433.66250 -.00934 .01000 24.5 1 E 24.5 5 F 8434.37897 8434.38024 -.00127 .01000 25.5 1 E 25.5 5 F 8435.13624 8435.14098 -.00474 .01000 26.5 1 E 26.5 5 F 8435.94433 8435.94468 -.00035 .01000 27.5 1 E 27.5 5 F 8436.78991 8436.79130 -.00139 .01000 28.5 1 E 28.5 5 F 8437.67865 8437.68082 -.00217 .01000 29.5 1 E 29.5 5 F 8438.61376 8438.61317 .00059 .01000 30.5 1 E 30.5 5 F 8439.58794 8439.58833 -.00039 .01000 31.5 1 E 31.5 5 F 8440.60560 8440.60624 -.00064 .01000 32.5 1 E 32.5 5 F 8441.66563 8441.66686 -.00123 .01000 33.5 1 E 33.5 5 F 8442.86688 8442.77013 .09675 1.11000 34.5 1 E 34.5 5 F 8443.91879 8443.91602 .00277 .01000 35.5 1 E 35.5 5 F 8445.10848 8445.10447 .00401 .01000 36.5 1 E 36.5 5 F 8446.33669 8446.33541 .00128 .01000 37.5 1 E 37.5 5 F 8447.60517 8447.60881 -.00364 .01000 38.5 1 E 38.5 5 F 8448.90000 8448.92459 -.02459 1.11000 39.5 1 E 39.5 5 F 8450.28429 8450.28271 .00158 .01000 40.5 1 E 40.5 5 F 8451.68195 8451.68309 -.00114 .01000 41.5 1 E 41.5 5 F 8453.12918 8453.12569 .00349 .01000 42.5 1 E 42.5 5 F 8454.61053 8454.61042 .00011 .01000 43.5 1 E 43.5 5 F 8456.13872 8456.13723 .00149 .01000 44.5 1 E 44.5 5 F 8457.70413 8457.70606 -.00193 .01000 45.5 1 E 45.5 5 F 8459.31090 8459.31681 -.00591 .01000 46.5 1 E 46.5 5 F 8460.96465 8460.96944 -.00479 .01000 47.5 1 E 47.5 5 F 8462.66673 8462.66386 .00287 1.01000 9.5 1 F 9.5 5 E 8434.99159 8434.98689 .00470 .01000 10.5 1 F 10.5 5 E 8435.78252 8435.78332 -.00080 .01000 11.5 1 F 11.5 5 E 8436.63021 8436.62289 .00732 .01000 12.5 1 F 12.5 5 E 8437.50896 8437.50556 .00340 .01000 13.5 1 F 13.5 5 E 8438.43752 8438.43131 .00621 .01000 14.5 1 F 14.5 5 E 8439.40169 8439.40009 .00160 .01000 15.5 1 F 15.5 5 E 8440.41438 8440.41189 .00249 .01000 16.5 1 F 16.5 5 E 8441.46960 8441.46666 .00294 .01000 17.5 1 F 17.5 5 E 8442.56967 8442.56436 .00531 .01000 18.5 1 F 18.5 5 E 8443.70605 8443.70496 .00109 .01000 19.5 1 F 19.5 5 E 8444.88951 8444.88842 .00109 .01000 20.5 1 F 20.5 5 E 8446.27866 8446.11468 .16398 1.01000 21.5 1 F 21.5 5 E 8447.38282 8447.38371 -.00089 .01000 22.5 1 F 22.5 5 E 8448.69684 8448.69546 .00138 .01000 23.5 1 F 23.5 5 E 8450.05038 8450.04989 .00049 .01000 24.5 1 F 24.5 5 E 8451.44718 8451.44693 .00025 .01000 25.5 1 F 25.5 5 E 8452.88633 8452.88655 -.00022 .01000 26.5 1 F 26.5 5 E 8454.37068 8454.36868 .00200 .01000 27.5 1 F 27.5 5 E 8455.89091 8455.89328 -.00237 .01000 28.5 1 F 28.5 5 E 8457.46372 8457.46028 .00344 .01000 29.5 1 F 29.5 5 E 8459.07079 8459.06962 .00117 .01000 30.5 1 F 30.5 5 E 8460.71985 8460.72125 -.00140 .01000 31.5 1 F 31.5 5 E 8462.41626 8462.41511 .00115 .01000 32.5 1 F 32.5 5 E 8464.14986 8464.15112 -.00126 .01000 33.5 1 F 33.5 5 E 8465.93053 8465.92923 .00130 1.11000 34.5 1 F 34.5 5 E 8467.75236 8467.74936 .00300 .01000 35.5 1 F 35.5 5 E 8469.61309 8469.61145 .00164 .01000 4.5 1 E 3.5 5 E 8430.95240 8430.94710 .00530 .01000 5.5 1 E 4.5 5 E 8431.40000 8431.44685 -.04685 1.01000 6.5 1 E 5.5 5 E 8431.98320 8431.98988 -.00668 .01000 7.5 1 E 6.5 5 E 8432.60000 8432.57620 .02380 1.01000 8.5 1 E 7.5 5 E 8433.20000 8433.20579 -.00579 1.01000 9.5 1 E 8.5 5 E 8433.85177 8433.87863 -.02686 .11000 10.5 1 E 9.5 5 E 8434.56670 8434.59469 -.02799 .11000 11.5 1 E 10.5 5 E 8435.35621 8435.35397 .00224 .01000 12.5 1 E 11.5 5 E 8436.20277 8436.15644 .04633 1.01000 13.5 1 E 12.5 5 E 8437.00540 8437.00207 .00333 .01000 14.5 1 E 13.5 5 E 8437.89140 8437.89084 .00056 .01000 15.5 1 E 14.5 5 E 8438.82575 8438.82272 .00303 .01000 16.5 1 E 15.5 5 E 8439.79946 8439.79768 .00178 .01000 17.5 1 E 16.5 5 E 8440.81260 8440.81569 -.00309 .01000 18.5 1 E 17.5 5 E 8441.87414 8441.87671 -.00257 .01000 19.5 1 E 18.5 5 E 8442.98829 8442.98072 .00757 .01000 20.5 1 E 19.5 5 E 8444.13304 8444.12768 .00536 .01000 21.5 1 E 20.5 5 E 8445.32605 8445.31754 .00851 .01000 22.5 1 E 21.5 5 E 8446.52342 8446.55027 -.02685 .11000 23.5 1 E 22.5 5 E 8447.76916 8447.82583 -.05667 .11000 24.5 1 E 23.5 5 E 8449.14642 8449.14417 .00225 .01000 25.5 1 E 24.5 5 E 8450.40000 8450.50524 -.10524 1.01000 26.5 1 E 25.5 5 E 8451.90537 8451.90901 -.00364 .01000 27.5 1 E 26.5 5 E 8453.35714 8453.35542 .00172 .01000 28.5 1 E 27.5 5 E 8454.85723 8454.84442 .01281 .01000 29.5 1 E 28.5 5 E 8456.37481 8456.37595 -.00114 .01000 30.5 1 E 29.5 5 E 8457.94955 8457.94998 -.00043 .01000 31.5 1 E 30.5 5 E 8459.56806 8459.56643 .00163 .01000 32.5 1 E 31.5 5 E 8461.23034 8461.22525 .00509 .01000 33.5 1 E 32.5 5 E 8462.92340 8462.92639 -.00299 .01000 34.5 1 E 33.5 5 E 8464.66913 8464.66977 -.00064 .01000 35.5 1 E 34.5 5 E 8466.44998 8466.45535 -.00537 1.11000 36.5 1 E 35.5 5 E 8468.28779 8468.28305 .00474 .01000 37.5 1 E 36.5 5 E 8470.15188 8470.15280 -.00092 .01000 38.5 1 E 37.5 5 E 8472.06429 8472.06455 -.00026 .01000 39.5 1 E 38.5 5 E 8474.01617 8474.01821 -.00204 .01000 40.5 1 E 39.5 5 E 8476.01620 8476.01372 .00248 1.11000 41.5 1 E 40.5 5 E 8478.04709 8478.05101 -.00392 .01000 42.5 1 E 41.5 5 E 8480.40000 8480.13000 .27000 1.01000 43.5 1 E 42.5 5 E 8482.25348 8482.25061 .00287 .01000 44.5 1 E 43.5 5 E 8484.41143 8484.41276 -.00133 .01000 45.5 1 E 44.5 5 E 8486.61322 8486.61638 -.00316 .01000 46.5 1 E 45.5 5 E 8488.86343 8488.86137 .00206 .01000 47.5 1 E 46.5 5 E 8491.14860 8491.14767 .00093 .01000 48.5 1 E 47.5 5 E 8493.46015 8493.47518 -.01503 .01000 49.5 1 E 48.5 5 E 8495.40000 8495.84381 -.44381 1.01000 50.5 1 E 49.5 5 E 8498.25860 8498.25348 .00512 .01000 51.5 1 E 50.5 5 E 8500.71050 8500.70409 .00641 .01000 52.5 1 E 51.5 5 E 8503.19740 8503.19555 .00185 .01000 9.5 1 F 8.5 5 F 8440.71610 8440.72021 -.00411 .01000 10.5 1 F 9.5 5 F 8442.12850 8442.11975 .00875 .01000 11.5 1 F 10.5 5 F 8443.55841 8443.56231 -.00390 .01000 12.5 1 F 11.5 5 F 8445.40000 8445.04783 .35217 1.01000 13.5 1 F 12.5 5 F 8446.56290 8446.57629 -.01339 .01000 14.5 1 F 13.5 5 F 8448.16820 8448.14764 .02056 .11000 15.5 1 F 14.5 5 F 8449.76045 8449.76183 -.00138 .01000 16.5 1 F 15.5 5 F 8451.40000 8451.41882 -.01882 1.01000 17.5 1 F 16.5 5 F 8453.10000 8453.11855 -.01855 1.01000 18.5 1 F 17.5 5 F 8454.87044 8454.86098 .00946 .01000 19.5 1 F 18.5 5 F 8456.64689 8456.64605 .00084 .01000 20.5 1 F 19.5 5 F 8458.47144 8458.47371 -.00227 .01000 21.5 1 F 20.5 5 F 8460.34435 8460.34390 .00045 .01000 22.5 1 F 21.5 5 F 8462.26112 8462.25657 .00455 .01000 23.5 1 F 22.5 5 F 8464.22616 8464.21165 .01451 .01000 24.5 1 F 23.5 5 F 8466.20872 8466.20909 -.00037 .01000 25.5 1 F 24.5 5 F 8467.99820 8468.24881 -.25061 1.01000 26.5 1 F 25.5 5 F 8470.33177 8470.33076 .00101 .01000 27.5 1 F 26.5 5 F 8472.46344 8472.45487 .00857 .01000 28.5 1 F 27.5 5 F 8474.61703 8474.62108 -.00405 .01000 29.5 1 F 28.5 5 F 8476.82761 8476.82930 -.00169 .01000 30.5 1 F 29.5 5 F 8479.07785 8479.07947 -.00162 .01000 31.5 1 F 30.5 5 F 8481.37176 8481.37151 .00025 .01000 32.5 1 F 31.5 5 F 8483.67454 8483.70536 -.03082 .11000 33.5 1 F 32.5 5 F 8486.07810 8486.08093 -.00283 .01000 34.5 1 F 33.5 5 F 8488.46863 8488.49814 -.02951 .11000 35.5 1 F 34.5 5 F 8490.96008 8490.95691 .00317 .01000 36.5 1 F 35.5 5 F 8493.46019 8493.45716 .00303 .01000 37.5 1 F 36.5 5 F 8495.90000 8495.99881 -.09881 1.01000 38.5 1 F 37.5 5 F 8498.58329 8498.58177 .00152 .01000 39.5 1 F 38.5 5 F 8501.20177 8501.20595 -.00418 .01000 40.5 1 F 39.5 5 F 8503.87290 8503.87127 .00163 .11000 41.5 1 F 40.5 5 F 8506.58369 8506.57762 .00607 .01000 42.5 1 F 41.5 5 F 8509.32060 8509.32492 -.00432 .01000 43.5 1 F 42.5 5 F 8512.11468 8512.11308 .00160 .01000 44.5 1 F 43.5 5 F 8514.94373 8514.94199 .00174 .01000 5.5 1 F 6.5 5 F 8428.39538 8428.30959 .08579 1.01000 6.5 1 F 7.5 5 F 8428.49180 8428.32982 .16198 1.01000 7.5 1 F 8.5 5 F 8428.50498 8428.39336 .11162 1.01000 8.5 1 F 9.5 5 F 8428.59276 8428.50020 .09256 1.01000 9.5 1 F 10.5 5 F 8428.64530 8428.65032 -.00502 .01000 10.5 1 F 11.5 5 F 8428.83833 8428.84372 -.00539 .01000 11.5 1 F 12.5 5 F 8429.07513 8429.08038 -.00525 .01000 12.5 1 F 13.5 5 F 8429.35594 8429.36028 -.00434 .11000 13.5 1 F 14.5 5 F 8429.68041 8429.68339 -.00298 .01000 14.5 1 F 15.5 5 F 8430.04891 8430.04970 -.00079 .01000 15.5 1 F 16.5 5 F 8430.41738 8430.45919 -.04181 .11000 16.5 1 F 17.5 5 F 8430.91304 8430.91183 .00121 .01000 17.5 1 F 18.5 5 F 8431.44379 8431.40758 .03621 .11000 18.5 1 F 19.5 5 F 8431.93492 8431.94643 -.01151 .01000 19.5 1 F 20.5 5 F 8432.51839 8432.52835 -.00996 .01000 20.5 1 F 21.5 5 F 8433.15438 8433.15329 .00109 .01000 21.5 1 F 22.5 5 F 8433.85176 8433.82123 .03053 .11000 22.5 1 F 23.5 5 F 8434.52288 8434.53213 -.00925 .01000 23.5 1 F 24.5 5 F 8435.25976 8435.28596 -.02620 .11000 24.5 1 F 25.5 5 F 8436.08873 8436.08267 .00606 .01000 25.5 1 F 26.5 5 F 8436.96592 8436.92222 .04370 .11000 26.5 1 F 27.5 5 F 8437.80378 8437.80457 -.00079 .01000 27.5 1 F 28.5 5 F 8438.72928 8438.72968 -.00040 .01000 28.5 1 F 29.5 5 F 8439.70298 8439.69749 .00549 .01000 29.5 1 F 30.5 5 F 8440.71173 8440.70797 .00376 .01000 30.5 1 F 31.5 5 F 8441.76443 8441.76106 .00337 .01000 31.5 1 F 32.5 5 F 8442.85226 8442.85671 -.00445 .01000 32.5 1 F 33.5 5 F 8443.99263 8443.99487 -.00224 .01000 33.5 1 F 34.5 5 F 8445.17694 8445.17548 .00146 .01000 34.5 1 F 35.5 5 F 8446.40947 8446.39848 .01099 .01000 35.5 1 F 36.5 5 F 8447.67265 8447.66382 .00883 .01000 36.5 1 F 37.5 5 F 8448.97099 8448.97144 -.00045 .01000 37.5 1 F 38.5 5 F 8450.32198 8450.32127 .00071 .01000 38.5 1 F 39.5 5 F 8451.71233 8451.71324 -.00091 .01000 39.5 1 F 40.5 5 F 8453.17291 8453.14731 .02560 .11000 40.5 1 F 41.5 5 F 8454.60000 8454.62339 -.02339 1.01000 41.5 1 F 42.5 5 F 8456.10000 8456.14142 -.04142 1.01000 42.5 1 F 43.5 5 F 8457.70000 8457.70132 -.00132 1.01000 43.5 1 F 44.5 5 F 8459.38370 8459.30303 .08067 1.01000 44.5 1 F 45.5 5 F 8461.01980 8460.94647 .07333 1.01000 45.5 1 F 46.5 5 F 8462.62510 8462.63156 -.00646 .01000 46.5 1 F 47.5 5 F 8464.36210 8464.35823 .00387 .01000 47.5 1 F 48.5 5 F 8466.11220 8466.12639 -.01419 .01000 48.5 1 F 49.5 5 F 8467.94120 8467.93597 .00523 .01000 49.5 1 F 50.5 5 F 8469.79220 8469.78688 .00532 .01000 50.5 1 F 51.5 5 F 8471.67390 8471.67903 -.00513 .01000 51.5 1 F 52.5 5 F 8473.61260 8473.61235 .00025 .01000 52.5 1 F 53.5 5 F 8475.60000 8475.58673 .01327 1.01000 53.5 1 F 54.5 5 F 8477.59520 8477.60210 -.00690 .01000 54.5 1 F 55.5 5 F 8479.60000 8479.65835 -.05835 1.01000 55.5 1 F 56.5 5 F 8481.74020 8481.75540 -.01520 .01000 56.5 1 F 57.5 5 F 8483.88940 8483.89315 -.00375 .01000 57.5 1 F 58.5 5 F 8486.07370 8486.07151 .00219 .01000 58.5 1 F 59.5 5 F 8488.30190 8488.29036 .01154 .01000 59.5 1 F 60.5 5 F 8490.56080 8490.54962 .01118 .01000 60.5 1 F 61.5 5 F 8492.85040 8492.84918 .00122 .01000 1 CALCULATED TERM ENERGIES PLUS PARITY A2Sigma X2Pi(3/2) X2Pi(1/2) .5 8294.4216 .0000 135.2619 1.5 8295.0499 -133.7523 136.1675 2.5 8296.3252 -132.2432 137.6748 3.5 8298.2475 -130.1304 139.7839 4.5 8300.8167 -127.4140 142.4948 5.5 8304.0329 -124.0941 145.8072 6.5 8307.8958 -120.1707 149.7213 7.5 8312.4055 -115.6438 154.2369 8.5 8317.5619 -110.5137 159.3540 9.5 8323.3649 -104.7803 165.0724 10.5 8329.8143 -98.4439 171.3921 11.5 8336.9101 -91.5044 178.3128 12.5 8344.6521 -83.9620 185.8346 13.5 8353.0401 -75.8169 193.9573 14.5 8362.0740 -67.0692 202.6807 15.5 8371.7536 -57.7190 212.0046 16.5 8382.0787 -47.7666 221.9289 17.5 8393.0491 -37.2121 232.4535 18.5 8404.6646 -26.0558 243.5780 19.5 8416.9250 -14.2977 255.3024 20.5 8429.8300 -1.9382 267.6264 21.5 8443.3793 11.0226 280.5497 22.5 8457.5728 24.5843 294.0722 23.5 8472.4101 38.7468 308.1936 24.5 8487.8910 53.5098 322.9136 25.5 8504.0150 68.8730 338.2319 26.5 8520.7820 84.8361 354.1484 27.5 8538.1916 101.3989 370.6626 28.5 8556.2433 118.5610 387.7743 29.5 8574.9370 136.3222 405.4832 30.5 8594.2722 154.6820 423.7890 31.5 8614.2485 173.6403 442.6913 32.5 8634.8655 193.1965 462.1897 33.5 8656.1229 213.3503 482.2840 34.5 8678.0201 234.1015 502.9737 35.5 8700.5568 255.4496 524.2585 36.5 8723.7326 277.3941 546.1380 37.5 8747.5469 299.9348 568.6117 38.5 8771.9993 323.0711 591.6794 39.5 8797.0893 346.8027 615.3404 40.5 8822.8165 371.1292 639.5945 41.5 8849.1802 396.0500 664.4411 42.5 8876.1800 421.5647 689.8799 43.5 8903.8154 447.6729 715.9103 44.5 8932.0857 474.3741 742.5319 45.5 8960.9905 501.6677 769.7441 46.5 8990.5291 529.5533 797.5466 47.5 9020.7010 558.0304 825.9387 48.5 9051.5055 587.0983 854.9199 49.5 9082.9422 616.7567 884.4898 50.5 9115.0102 647.0050 914.6478 51.5 9147.7090 677.8425 945.3932 52.5 9181.0380 709.2687 976.7257 53.5 9214.9965 741.2831 1008.6445 54.5 9249.5837 773.8850 1041.1491 55.5 9284.7991 807.0739 1074.2389 56.5 9320.6419 840.8491 1107.9132 57.5 9357.1114 875.2100 1142.1716 58.5 9394.2068 910.1559 1177.0133 59.5 9431.9274 945.6863 1212.4377 60.5 9470.2726 981.8005 1248.4441 61.5 9509.2414 1018.4977 1285.0319 62.5 9548.8331 1055.7774 1322.2004 63.5 9589.0470 1093.6388 1359.9489 64.5 9629.8822 1132.0812 1398.2767 65.5 9671.3379 1171.1039 1437.1832 66.5 9713.4133 1210.7061 1476.6675 67.5 9756.1075 1250.8873 1516.7290 68.5 9799.4197 1291.6465 1557.3670 69.5 9843.3490 1332.9831 1598.5806 70.5 9887.8945 1374.8962 1640.3691 71.5 9933.0554 1417.3851 1682.7318 72.5 9978.8307 1460.4491 1725.6678 73.5 10025.2194 1504.0872 1769.1764 74.5 10072.2208 1548.2987 1813.2567 75.5 10119.8338 1593.0828 1857.9080 76.5 10168.0574 1638.4386 1903.1294 77.5 10216.8907 1684.3653 1948.9200 78.5 10266.3328 1730.8620 1995.2791 79.5 10316.3825 1777.9278 2042.2057 CALCULATED TERM ENERGIES MINUS PARITY A2Sigma X2Pi(3/2) X2Pi(1/2) .5 8295.1061 .0000 135.2561 1.5 8296.4188 -133.7523 136.1559 2.5 8298.3785 -132.2432 137.6575 3.5 8300.9851 -130.1304 139.7608 4.5 8304.2386 -127.4140 142.4658 5.5 8308.1390 -124.0941 145.7725 6.5 8312.6860 -120.1706 149.6808 7.5 8317.8797 -115.6438 154.1907 8.5 8323.7199 -110.5137 159.3020 9.5 8330.2065 -104.7803 165.0146 10.5 8337.3395 -98.4438 171.3285 11.5 8345.1185 -91.5043 178.2436 12.5 8353.5436 -83.9619 185.7596 13.5 8362.6144 -75.8167 193.8765 14.5 8372.3309 -67.0689 202.5942 15.5 8382.6929 -57.7188 211.9124 16.5 8393.7001 -47.7663 221.8311 17.5 8405.3522 -37.2118 232.3499 18.5 8417.6492 -26.0553 243.4688 19.5 8430.5907 -14.2972 255.1875 20.5 8444.1765 -1.9376 267.5058 21.5 8458.4063 11.0232 280.4235 22.5 8473.2798 24.5850 293.9404 23.5 8488.7967 38.7476 308.0561 24.5 8504.9567 53.5107 322.7705 25.5 8521.7595 68.8741 338.0833 26.5 8539.2048 84.8373 353.9942 27.5 8557.2922 101.4002 370.5029 28.5 8576.0213 118.5625 387.6091 29.5 8595.3918 136.3238 405.3125 30.5 8615.4033 154.6838 423.6128 31.5 8636.0554 173.6422 442.5097 32.5 8657.3476 193.1986 462.0027 33.5 8679.2796 213.3527 482.0915 34.5 8701.8509 234.1041 502.7759 35.5 8725.0610 255.4524 524.0553 36.5 8748.9095 277.3972 545.9294 37.5 8773.3960 299.9381 568.3978 38.5 8798.5199 323.0747 591.4602 39.5 8824.2807 346.8066 615.1160 40.5 8850.6779 371.1334 639.3648 41.5 8877.7110 396.0545 664.2062 42.5 8905.3794 421.5696 689.6398 43.5 8933.6827 447.6781 715.6650 44.5 8962.6201 474.3796 742.2815 45.5 8992.1912 501.6736 769.4886 46.5 9022.3953 529.5596 797.2860 47.5 9053.2319 558.0371 825.6731 48.5 9084.7003 587.1055 854.6493 49.5 9116.8000 616.7644 884.2142 50.5 9149.5301 647.0131 914.3672 51.5 9182.8902 677.8511 945.1078 52.5 9216.8795 709.2778 976.4353 53.5 9251.4973 741.2927 1008.3493 54.5 9286.7430 773.8952 1040.8491 55.5 9322.6159 807.0847 1073.9341 56.5 9359.1151 840.8605 1107.6038 57.5 9396.2401 875.2220 1141.8574 58.5 9433.9900 910.1686 1176.6944 59.5 9472.3641 945.6996 1212.1142 60.5 9511.3616 981.8145 1248.1160 61.5 9550.9818 1018.5124 1284.6993 62.5 9591.2237 1055.7928 1321.8633 63.5 9632.0868 1093.6550 1359.6073 64.5 9673.5700 1132.0982 1397.9308 65.5 9715.6726 1171.1217 1436.8328 66.5 9758.3937 1210.7248 1476.3128 67.5 9801.7324 1250.9068 1516.3701 68.5 9845.6880 1291.6669 1557.0037 69.5 9890.2594 1333.0044 1598.2131 70.5 9935.4459 1374.9185 1639.9975 71.5 9981.2464 1417.4084 1682.3561 72.5 10027.6601 1460.4733 1725.2880 73.5 10074.6860 1504.1125 1768.7926 74.5 10122.3232 1548.3251 1812.8689 75.5 10170.5707 1593.1103 1857.5162 76.5 10219.4275 1638.4672 1902.7337 77.5 10268.8927 1684.3950 1948.5205 78.5 10318.9652 1730.8929 1994.8758 79.5 10369.6441 1777.9600 2041.7987 ******* 109AgO A2Sigma - X2Pi () FINAL FIT: AUGUST 17, 1996 VARIANCE OF THE FIT .2133047D+00 COSINE: .5735641E-01 LAMBDA: .100E-07 CONVERGENCE OUTPUT FROM LAST LSQ PASS FINAL STANDARD NUMBER NAME VALUE DEVIATION 1 E1S .829441114D+04 .4654D-03 2 B1S .322754798D+00 .9869D-05 3 D1S .539064736D-06 .3033D-08 H1S .000000000D+00 4 GAM1S -.373407610D-01 .3502D-04 5 GAMD1S .780318873D-06 .1389D-07 E2P .000000000D+00 6 A2P -.269318609D+03 .9296D-03 7 AD2P .161589356D-02 .2168D-05 GAM2P .000000000D+00 8 GAMD2P -.304738408D-05 .3334D-06 9 B2P .300672972D+00 .9901D-05 10 D2P .466020671D-06 .3063D-08 H2P .000000000D+00 11 Q2P -.263494309D-04 .6910D-05 12 P2P -.607626663D-02 .4881D-04 QD2P .000000000D+00 13 PD2P .305408166D-06 .2448D-07 QH2P .000000000D+00 PH2P .000000000D+00 CORRELATION MATRIX ELEMENTS ARE ARRANGED BY PARAMETER NUMBERS 1.0000 .0161 -.0001 -.0534 .0177 -.1295 .2919 -.3478 .0794 .0785 .0145 .0657 -.0565 .0161 1.0000 .8800 .4034 -.3885 .0205 .0272 -.0381 .9969 .8745 -.0178 -.1459 .2581 -.0001 .8800 1.0000 .2578 -.2942 -.0142 .0890 -.0954 .8720 .9922 -.0886 -.2114 .4315 -.0534 .4034 .2578 1.0000 -.8980 -.0575 .0278 -.0055 .4037 .2582 .2169 -.3590 .0481 .0177 -.3885 -.2942 -.8980 1.0000 .0262 -.0031 .0046 -.3932 -.3005 -.0861 .2289 -.0854 -.1295 .0205 -.0142 -.0575 .0262 1.0000 -.7741 .6230 .0151 -.0566 -.0684 .1014 -.0204 .2919 .0272 .0890 .0278 -.0031 -.7741 1.0000 -.9543 .0437 .1681 .0776 -.1106 .0403 -.3478 -.0381 -.0954 -.0055 .0046 .6230 -.9543 1.0000 -.0626 -.1914 -.0616 .0779 -.0329 .0794 .9969 .8720 .4037 -.3932 .0151 .0437 -.0626 1.0000 .8745 -.0149 -.1384 .2482 .0785 .8745 .9922 .2582 -.3005 -.0566 .1681 -.1914 .8745 1.0000 -.0818 -.2067 .4209 .0145 -.0178 -.0886 .2169 -.0861 -.0684 .0776 -.0616 -.0149 -.0818 1.0000 -.3511 -.6321 .0657 -.1459 -.2114 -.3590 .2289 .1014 -.1106 .0779 -.1384 -.2067 -.3511 1.0000 -.4335 -.0565 .2581 .4315 .0481 -.0854 -.0204 .0403 -.0329 .2482 .4209 -.6321 -.4335 1.0000 FIT TO EXPERIMENTAL POINTS TRANSITION BETWEEN STATES 1 AND 2 J1 STATE1 PARITY1 J2 STATE2 PARITY2 EXPT CALC EXPT-CALC EXPTL STD DEV 4.5 1 E 5.5 6 E 8155.00970 8155.00747 .00223 .01000 5.5 1 E 6.5 6 E 8154.30906 8154.31092 -.00186 .01000 6.5 1 E 7.5 6 E 8153.65905 8153.65958 -.00053 .01000 7.5 1 E 8.5 6 E 8153.05147 8153.05344 -.00197 .01000 8.5 1 E 9.5 6 E 8152.49062 8152.49252 -.00190 .01000 9.5 1 E 10.5 6 E 8151.97561 8151.97682 -.00121 .01000 10.5 1 E 11.5 6 E 8151.50374 8151.50634 -.00260 .01000 11.5 1 E 12.5 6 E 8151.07733 8151.08108 -.00375 .01000 12.5 1 E 13.5 6 E 8150.69583 8150.70105 -.00522 .01000 13.5 1 E 14.5 6 E 8150.36247 8150.36624 -.00377 .01000 14.5 1 E 15.5 6 E 8150.07283 8150.07664 -.00381 .01000 15.5 1 E 16.5 6 E 8149.82662 8149.83226 -.00564 .01000 16.5 1 E 17.5 6 E 8149.63042 8149.63309 -.00267 .01000 17.5 1 E 18.5 6 E 8149.47596 8149.47911 -.00315 .01000 18.5 1 E 19.5 6 E 8149.36871 8149.37031 -.00160 .01000 19.5 1 E 20.5 6 E 8149.30563 8149.30668 -.00105 .01000 20.5 1 E 21.5 6 E 8149.28533 8149.28821 -.00288 .01000 21.5 1 E 22.5 6 E 8149.30563 8149.31488 -.00925 .01000 22.5 1 E 23.5 6 E 8149.37031 8149.38667 -.01636 .11000 23.5 1 E 24.5 6 E 8149.50086 8149.50356 -.00270 .01000 24.5 1 E 25.5 6 E 8149.66018 8149.66553 -.00535 .01000 25.5 1 E 26.5 6 E 8149.86898 8149.87255 -.00357 .01000 26.5 1 E 27.5 6 E 8150.12135 8150.12460 -.00325 .01000 27.5 1 E 28.5 6 E 8150.41947 8150.42165 -.00218 .01000 28.5 1 E 29.5 6 E 8150.76060 8150.76367 -.00307 .01000 29.5 1 E 30.5 6 E 8151.14903 8151.15064 -.00161 .01000 30.5 1 E 31.5 6 E 8151.58162 8151.58250 -.00088 .01000 31.5 1 E 32.5 6 E 8152.05920 8152.05924 -.00004 .01000 32.5 1 E 33.5 6 E 8152.58198 8152.58082 .00116 .01000 33.5 1 E 34.5 6 E 8153.14724 8153.14719 .00005 .01000 34.5 1 E 35.5 6 E 8153.75989 8153.75832 .00157 .01000 35.5 1 E 36.5 6 E 8154.41789 8154.41416 .00373 .01000 36.5 1 E 37.5 6 E 8155.11491 8155.11467 .00024 .01000 4.5 1 F 5.5 6 F 8158.46888 8158.45806 .01082 .01000 5.5 1 F 6.5 6 F 8158.45888 8158.45020 .00868 .01000 6.5 1 F 7.5 6 F 8158.48842 8158.48742 .00100 .01000 7.5 1 F 8.5 6 F 8158.58061 8158.56971 .01090 .01000 8.5 1 F 9.5 6 F 8158.70041 8158.69706 .00335 .01000 9.5 1 F 10.5 6 F 8158.88241 8158.86945 .01296 .01000 10.5 1 F 11.5 6 F 8159.09011 8159.08688 .00323 .01000 11.5 1 F 12.5 6 F 8159.35486 8159.34931 .00555 .01000 12.5 1 F 13.5 6 F 8159.66104 8159.65674 .00430 .01000 13.5 1 F 14.5 6 F 8160.01612 8160.00914 .00698 .01000 14.5 1 F 15.5 6 F 8160.41394 8160.40649 .00745 .01000 15.5 1 F 16.5 6 F 8160.84471 8160.84876 -.00405 .01000 16.5 1 F 17.5 6 F 8161.33763 8161.33593 .00170 .01000 17.5 1 F 18.5 6 F 8161.87718 8161.86797 .00921 .01000 18.5 1 F 19.5 6 F 8162.44736 8162.44485 .00251 .01000 19.5 1 F 20.5 6 F 8163.06322 8163.06653 -.00331 .01000 20.5 1 F 21.5 6 F 8163.72570 8163.73298 -.00728 .01000 21.5 1 F 22.5 6 F 8164.43844 8164.44417 -.00573 .01000 22.5 1 F 23.5 6 F 8165.19313 8165.20005 -.00692 .01000 23.5 1 F 24.5 6 F 8165.99821 8166.00060 -.00239 .01000 24.5 1 F 25.5 6 F 8166.84134 8166.84576 -.00442 .01000 38.5 1 F 39.5 6 F 8183.33418 8183.33537 -.00119 .01000 39.5 1 F 40.5 6 F 8184.83895 8184.84359 -.00464 .01000 40.5 1 F 41.5 6 F 8186.39228 8186.39552 -.00324 .01000 41.5 1 F 42.5 6 F 8187.98728 8187.99109 -.00381 .01000 42.5 1 F 43.5 6 F 8189.62502 8189.63022 -.00520 .01000 43.5 1 F 44.5 6 F 8191.30897 8191.31284 -.00387 .01000 44.5 1 F 45.5 6 F 8193.03781 8193.03886 -.00105 .01000 45.5 1 F 46.5 6 F 8194.80796 8194.80821 -.00025 .01000 46.5 1 F 47.5 6 F 8196.62861 8196.62081 .00780 .01000 47.5 1 F 48.5 6 F 8198.48576 8198.47657 .00919 .01000 48.5 1 F 49.5 6 F 8200.37426 8200.37541 -.00115 .01000 49.5 1 F 50.5 6 F 8202.32574 8202.31724 .00850 .01000 50.5 1 F 51.5 6 F 8204.29962 8204.30197 -.00235 .01000 51.5 1 F 52.5 6 F 8206.32787 8206.32952 -.00165 .01000 52.5 1 F 53.5 6 F 8208.39853 8208.39978 -.00125 .01000 53.5 1 F 54.5 6 F 8210.50592 8210.51267 -.00675 .01000 54.5 1 F 55.5 6 F 8212.67147 8212.66809 .00338 .01000 55.5 1 F 56.5 6 F 8214.86960 8214.86594 .00366 .01000 56.5 1 F 57.5 6 F 8217.11442 8217.10611 .00831 .01000 57.5 1 F 58.5 6 F 8219.38660 8219.38852 -.00192 .01000 58.5 1 F 59.5 6 F 8221.71312 8221.71306 .00006 .01000 3.5 1 E 3.5 6 F 8158.48846 8158.47841 .01005 .01000 4.5 1 E 4.5 6 F 8158.34266 8158.34305 -.00039 .01000 5.5 1 E 5.5 6 F 8158.25649 8158.25282 .00367 .01000 6.5 1 E 6.5 6 F 8158.20966 8158.20770 .00196 .01000 7.5 1 E 7.5 6 F 8158.20966 8158.20769 .00197 .01000 8.5 1 E 8.5 6 F 8158.25649 8158.25279 .00370 .01000 9.5 1 E 9.5 6 F 8158.35033 8158.34299 .00734 .01000 10.5 1 E 10.5 6 F 8158.48842 8158.47828 .01014 .01000 11.5 1 E 11.5 6 F 8158.66271 8158.65864 .00407 .01000 12.5 1 E 12.5 6 F 8158.88874 8158.88408 .00466 .01000 13.5 1 E 13.5 6 F 8159.16123 8159.15456 .00667 .01000 14.5 1 E 14.5 6 F 8159.47485 8159.47008 .00477 .01000 15.5 1 E 15.5 6 F 8159.84032 8159.83061 .00971 .01000 16.5 1 E 16.5 6 F 8160.24490 8160.23614 .00876 .01000 17.5 1 E 17.5 6 F 8160.69321 8160.68665 .00656 .01000 18.5 1 E 18.5 6 F 8161.18559 8161.18210 .00349 .01000 19.5 1 E 19.5 6 F 8161.73121 8161.72248 .00873 .01000 20.5 1 E 20.5 6 F 8162.31440 8162.30776 .00664 .01000 21.5 1 E 21.5 6 F 8162.93890 8162.93790 .00100 .01000 22.5 1 E 22.5 6 F 8163.61636 8163.61288 .00348 .01000 23.5 1 E 23.5 6 F 8164.33017 8164.33267 -.00250 .01000 24.5 1 E 24.5 6 F 8165.09634 8165.09722 -.00088 .01000 25.5 1 E 25.5 6 F 8165.90507 8165.90650 -.00143 .01000 26.5 1 E 26.5 6 F 8166.75788 8166.76048 -.00260 .01000 47.5 1 E 47.5 6 F 8194.92834 8194.93074 -.00240 .01000 48.5 1 E 48.5 6 F 8196.75524 8196.75455 .00069 .01000 49.5 1 E 49.5 6 F 8198.62062 8198.62167 -.00105 .01000 50.5 1 E 50.5 6 F 8200.52885 8200.53202 -.00317 .01000 51.5 1 E 51.5 6 F 8202.48264 8202.48550 -.00286 .01000 52.5 1 E 52.5 6 F 8204.48238 8204.48203 .00035 .01000 53.5 1 E 53.5 6 F 8206.52124 8206.52153 -.00029 .01000 54.5 1 E 54.5 6 F 8208.60385 8208.60390 -.00005 .01000 55.5 1 E 55.5 6 F 8210.73320 8210.72906 .00414 .01000 56.5 1 E 56.5 6 F 8212.89621 8212.89691 -.00070 .01000 57.5 1 E 57.5 6 F 8215.10983 8215.10736 .00247 .01000 58.5 1 E 58.5 6 F 8217.35911 8217.36030 -.00119 .01000 59.5 1 E 59.5 6 F 8219.65410 8219.65564 -.00154 .01000 60.5 1 E 60.5 6 F 8221.99310 8221.99328 -.00018 .01000 61.5 1 E 61.5 6 F 8224.37665 8224.37312 .00353 .01000 62.5 1 E 62.5 6 F 8226.79274 8226.79505 -.00231 .01000 63.5 1 E 63.5 6 F 8229.26001 8229.25897 .00104 .01000 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.01000 25.5 1 E 24.5 5 E 8450.43920 8450.44013 -.00093 .01000 26.5 1 E 25.5 5 E 8451.84397 8451.84021 .00376 .01000 27.5 1 E 26.5 5 E 8453.27384 8453.28283 -.00899 .01000 28.5 1 E 27.5 5 E 8454.77393 8454.76794 .00599 .01000 29.5 1 E 28.5 5 E 8456.29151 8456.29550 -.00399 .01000 30.5 1 E 29.5 5 E 8457.86175 8457.86544 -.00369 .01000 31.5 1 E 30.5 5 E 8459.48466 8459.47773 .00693 .01000 32.5 1 E 31.5 5 E 8461.13384 8461.13229 .00155 .01000 33.5 1 E 32.5 5 E 8462.83130 8462.82908 .00222 .01000 34.5 1 E 33.5 5 E 8464.57263 8464.56804 .00459 .01000 35.5 1 E 34.5 5 E 8466.34908 8466.34910 -.00002 .01000 36.5 1 E 35.5 5 E 8468.17229 8468.17220 .00009 .01000 37.5 1 E 36.5 5 E 8470.04228 8470.03729 .00499 .01000 38.5 1 E 37.5 5 E 8471.94149 8471.94429 -.00280 .01000 39.5 1 E 38.5 5 E 8473.88897 8473.89314 -.00417 .01000 40.5 1 E 39.5 5 E 8475.88460 8475.88376 .00084 .01000 41.5 1 E 40.5 5 E 8477.91549 8477.91610 -.00061 .01000 42.5 1 E 41.5 5 E 8480.00030 8479.99007 .01023 .01000 43.5 1 E 42.5 5 E 8482.09918 8482.10561 -.00643 .01000 44.5 1 E 43.5 5 E 8484.26223 8484.26263 -.00040 .01000 45.5 1 E 44.5 5 E 8486.46852 8486.46107 .00745 .01000 46.5 1 E 45.5 5 E 8488.70113 8488.70083 .00030 .01000 47.5 1 E 46.5 5 E 8490.97310 8490.98185 -.00875 .01000 48.5 1 E 47.5 5 E 8493.30225 8493.30404 -.00179 .01000 49.5 1 E 48.5 5 E 8495.66200 8495.66731 -.00531 .01000 50.5 1 E 49.5 5 E 8498.06120 8498.07159 -.01039 1.11000 51.5 1 E 50.5 5 E 8500.52190 8500.51677 .00513 .01000 52.5 1 E 51.5 5 E 8503.00010 8503.00278 -.00268 .01000 9.5 1 F 8.5 5 F 8440.67660 8440.68307 -.00647 .01000 10.5 1 F 9.5 5 F 8442.08460 8442.07913 .00547 .01000 11.5 1 F 10.5 5 F 8443.51891 8443.51807 .00084 .01000 12.5 1 F 11.5 5 F 8445.00490 8444.99987 .00503 .01000 13.5 1 F 12.5 5 F 8446.52430 8446.52448 -.00018 .01000 14.5 1 F 13.5 5 F 8448.08490 8448.09186 -.00696 .01000 15.5 1 F 14.5 5 F 8449.70345 8449.70197 .00148 .01000 16.5 1 F 15.5 5 F 8451.40000 8451.35475 .04525 1.01000 17.5 1 F 16.5 5 F 8453.05970 8453.05016 .00954 .01000 18.5 1 F 17.5 5 F 8454.78880 8454.78815 .00065 .01000 19.5 1 F 18.5 5 F 8456.57229 8456.56867 .00362 .01000 20.5 1 F 19.5 5 F 8458.39694 8458.39167 .00527 .01000 21.5 1 F 20.5 5 F 8460.26105 8460.25708 .00397 .01000 22.5 1 F 21.5 5 F 8462.16462 8462.16487 -.00025 .01000 23.5 1 F 22.5 5 F 8464.12356 8464.11495 .00861 .01000 24.5 1 F 23.5 5 F 8466.10692 8466.10729 -.00037 .01000 25.5 1 F 24.5 5 F 8468.15000 8468.14181 .00819 1.01000 26.5 1 F 25.5 5 F 8470.21767 8470.21845 -.00078 .01000 27.5 1 F 26.5 5 F 8472.33184 8472.33715 -.00531 .01000 28.5 1 F 27.5 5 F 8474.50303 8474.49784 .00519 .01000 29.5 1 F 28.5 5 F 8476.69691 8476.70045 -.00354 .01000 30.5 1 F 29.5 5 F 8478.95000 8478.94491 .00509 1.01000 31.5 1 F 30.5 5 F 8481.22706 8481.23116 -.00410 .01000 32.5 1 F 31.5 5 F 8483.56044 8483.55911 .00133 .01000 33.5 1 F 32.5 5 F 8485.92370 8485.92870 -.00500 .01000 34.5 1 F 33.5 5 F 8488.34583 8488.33985 .00598 .01000 35.5 1 F 34.5 5 F 8490.78368 8490.79247 -.00879 .01000 36.5 1 F 35.5 5 F 8493.29789 8493.28649 .01140 .01000 37.5 1 F 36.5 5 F 8495.82000 8495.82183 -.00183 1.01000 38.5 1 F 37.5 5 F 8498.39899 8498.39840 .00059 .01000 39.5 1 F 38.5 5 F 8501.01757 8501.01612 .00145 .01000 40.5 1 F 39.5 5 F 8503.67990 8503.67490 .00500 .11000 41.5 1 F 40.5 5 F 8506.38189 8506.37465 .00724 .01000 42.5 1 F 41.5 5 F 8509.11880 8509.11529 .00351 .01000 43.5 1 F 42.5 5 F 8511.89538 8511.89672 -.00134 .01000 44.5 1 F 43.5 5 F 8514.72003 8514.71885 .00118 .01000 9.5 1 F 10.5 5 F 8428.64530 8428.64093 .00437 .01000 10.5 1 F 11.5 5 F 8428.83833 8428.83363 .00470 .01000 11.5 1 F 12.5 5 F 8429.07513 8429.06948 .00565 .01000 12.5 1 F 13.5 5 F 8429.35594 8429.34844 .00750 .01000 13.5 1 F 14.5 5 F 8429.68041 8429.67051 .00990 .01000 14.5 1 F 15.5 5 F 8430.04011 8430.03567 .00444 .01000 15.5 1 F 16.5 5 F 8430.44000 8430.44388 -.00388 .11000 16.5 1 F 17.5 5 F 8430.89984 8430.89514 .00470 .01000 17.5 1 F 18.5 5 F 8431.38939 8431.38940 -.00001 .01000 18.5 1 F 19.5 5 F 8431.93492 8431.92665 .00827 .01000 19.5 1 F 20.5 5 F 8432.50000 8432.50686 -.00686 1.11000 20.5 1 F 21.5 5 F 8433.12808 8433.12999 -.00191 .01000 21.5 1 F 22.5 5 F 8433.79476 8433.79602 -.00126 .01000 22.5 1 F 23.5 5 F 8434.50968 8434.50490 .00478 .01000 23.5 1 F 24.5 5 F 8435.25880 8435.25661 .00219 .01000 24.5 1 F 25.5 5 F 8436.05363 8436.05110 .00253 .01000 25.5 1 F 26.5 5 F 8436.89222 8436.88835 .00387 .01000 26.5 1 F 27.5 5 F 8437.76428 8437.76830 -.00402 .01000 27.5 1 F 28.5 5 F 8438.69418 8438.69091 .00327 .01000 28.5 1 F 29.5 5 F 8439.65468 8439.65615 -.00147 .01000 29.5 1 F 30.5 5 F 8440.67220 8440.66396 .00824 .01000 30.5 1 F 31.5 5 F 8441.71000 8441.71429 -.00429 1.01000 31.5 1 F 32.5 5 F 8442.80836 8442.80711 .00125 .01000 32.5 1 F 33.5 5 F 8443.95903 8443.94236 .01667 .01000 33.5 1 F 34.5 5 F 8445.11904 8445.11998 -.00094 .01000 34.5 1 F 35.5 5 F 8446.33677 8446.33992 -.00315 .01000 35.5 1 F 36.5 5 F 8447.60515 8447.60213 .00302 .01000 36.5 1 F 37.5 5 F 8448.91000 8448.90654 .00346 1.11000 37.5 1 F 38.5 5 F 8450.25178 8450.25311 -.00133 .01000 38.5 1 F 39.5 5 F 8451.63333 8451.64176 -.00843 .01000 39.5 1 F 40.5 5 F 8453.07031 8453.07244 -.00213 .01000 40.5 1 F 41.5 5 F 8454.54580 8454.54508 .00072 .01000 41.5 1 F 42.5 5 F 8456.05550 8456.05962 -.00412 .01000 42.5 1 F 43.5 5 F 8457.61000 8457.61599 -.00599 1.11000 43.5 1 F 44.5 5 F 8459.20830 8459.21412 -.00582 .01000 44.5 1 F 45.5 5 F 8460.85220 8460.85393 -.00173 .01000 45.5 1 F 46.5 5 F 8462.53480 8462.53536 -.00056 .01000 46.5 1 F 47.5 5 F 8464.25420 8464.25834 -.00414 .01000 47.5 1 F 48.5 5 F 8466.02880 8466.02277 .00603 .01000 TERM ENERGIES PLUS PARITY A2Sigma X2Pi(3/2) X2Pi(1/2) .5 8294.4111 .0000 135.2621 1.5 8295.0380 -133.7559 136.1658 2.5 8296.3103 -132.2502 137.6698 3.5 8298.2281 -130.1422 139.7742 4.5 8300.7914 -127.4320 142.4789 5.5 8304.0000 -124.1197 145.7839 6.5 8307.8540 -120.2053 149.6891 7.5 8312.3532 -115.6889 154.1944 8.5 8317.4976 -110.5706 159.2997 9.5 8323.2870 -104.8504 165.0050 10.5 8329.7214 -98.5284 171.3102 11.5 8336.8006 -91.6049 178.2150 12.5 8344.5245 -84.0799 185.7195 13.5 8352.8929 -75.9535 193.8234 14.5 8361.9056 -67.2260 202.5266 15.5 8371.5626 -57.8974 211.8290 16.5 8381.8635 -47.9680 221.7303 17.5 8392.8083 -37.4379 232.2304 18.5 8404.3966 -26.3073 243.3292 19.5 8416.6282 -14.5765 255.0263 20.5 8429.5029 -2.2456 267.3215 21.5 8443.0205 10.6850 280.2147 22.5 8457.1806 24.2153 293.7056 23.5 8471.9831 38.3448 307.7940 24.5 8487.4275 53.0735 322.4795 25.5 8503.5136 68.4008 337.7620 26.5 8520.2410 84.3267 353.6410 27.5 8537.6095 100.8508 370.1164 28.5 8555.6187 117.9727 387.1879 29.5 8574.2682 135.6922 404.8550 30.5 8593.5576 154.0089 423.1176 31.5 8613.4866 172.9225 441.9751 32.5 8634.0548 192.4326 461.4274 33.5 8655.2617 212.5389 481.4740 34.5 8677.1070 233.2410 502.1145 35.5 8699.5901 254.5385 523.3487 36.5 8722.7107 276.4309 545.1759 37.5 8746.4682 298.9180 567.5960 38.5 8770.8623 321.9992 590.6084 39.5 8795.8924 345.6742 614.2128 40.5 8821.5579 369.9424 638.4086 41.5 8847.8585 394.8034 663.1955 42.5 8874.7935 420.2569 688.5729 43.5 8902.3625 446.3022 714.5404 44.5 8930.5648 472.9388 741.0976 45.5 8959.3999 500.1664 768.2438 46.5 8988.8673 527.9844 795.9787 47.5 9018.9662 556.3922 824.3017 48.5 9049.6962 585.3893 853.2122 49.5 9081.0567 614.9753 882.7098 50.5 9113.0468 645.1494 912.7938 51.5 9145.6661 675.9112 943.4638 52.5 9178.9139 707.2600 974.7191 53.5 9212.7895 739.1953 1006.5591 54.5 9247.2922 771.7165 1038.9833 55.5 9282.4214 804.8230 1071.9911 56.5 9318.1762 838.5141 1105.5818 57.5 9354.5560 872.7891 1139.7549 58.5 9391.5601 907.6476 1174.5096 59.5 9429.1877 943.0887 1209.8453 60.5 9467.4381 979.1119 1245.7614 61.5 9506.3104 1015.7164 1282.2571 62.5 9545.8039 1052.9015 1319.3319 63.5 9585.9178 1090.6666 1356.9849 64.5 9626.6512 1129.0109 1395.2156 65.5 9668.0034 1167.9337 1434.0232 66.5 9709.9736 1207.4343 1473.4069 67.5 9752.5607 1247.5119 1513.3660 68.5 9795.7641 1288.1658 1553.8998 69.5 9839.5828 1329.3951 1595.0075 70.5 9884.0159 1371.1992 1636.6883 71.5 9929.0626 1413.5771 1678.9415 72.5 9974.7218 1456.5281 1721.7662 73.5 10020.9927 1500.0515 1765.1617 74.5 10067.8744 1544.1463 1809.1271 75.5 10115.3658 1588.8117 1853.6616 76.5 10163.4660 1634.0469 1898.7644 77.5 10212.1741 1679.8509 1944.4346 78.5 10261.4890 1726.2230 1990.6713 79.5 10311.4098 1773.1623 2037.4737 TERM ENERGIES MINUS PARITY A2Sigma X2Pi(3/2) X2Pi(1/2) .5 8295.0940 .0000 135.2560 1.5 8296.4037 -133.7559 136.1535 2.5 8298.3588 -132.2502 137.6514 3.5 8300.9593 -130.1422 139.7497 4.5 8304.2053 -127.4320 142.4483 5.5 8308.0965 -124.1197 145.7472 6.5 8312.6329 -120.2053 149.6463 7.5 8317.8145 -115.6889 154.1455 8.5 8323.6411 -110.5705 159.2448 9.5 8330.1125 -104.8503 164.9440 10.5 8337.2288 -98.5284 171.2431 11.5 8344.9897 -91.6048 178.1419 12.5 8353.3951 -84.0798 185.6404 13.5 8362.4447 -75.9534 193.7383 14.5 8372.1385 -67.2258 202.4356 15.5 8382.4762 -57.8972 211.7320 16.5 8393.4576 -47.9677 221.6274 17.5 8405.0824 -37.4376 232.1216 18.5 8417.3506 -26.3070 243.2145 19.5 8430.2617 -14.5761 254.9057 20.5 8443.8156 -2.2452 267.1952 21.5 8458.0119 10.6856 280.0826 22.5 8472.8505 24.2159 293.5678 23.5 8488.3309 38.3456 307.6504 24.5 8504.4528 53.0743 322.3303 25.5 8521.2161 68.4017 337.6071 26.5 8538.6202 84.3277 353.4806 27.5 8556.6649 100.8519 369.9504 28.5 8575.3497 117.9740 387.0164 29.5 8594.6744 135.6936 404.6780 30.5 8614.6385 154.0104 422.9351 31.5 8635.2416 172.9242 441.7873 32.5 8656.4833 192.4345 461.2343 33.5 8678.3632 212.5410 481.2756 34.5 8700.8808 233.2432 501.9109 35.5 8724.0357 254.5409 523.1399 36.5 8747.8274 276.4336 544.9620 37.5 8772.2554 298.9208 567.3771 38.5 8797.3192 322.0023 590.3845 39.5 8823.0184 345.6775 613.9839 40.5 8849.3524 369.9460 638.1748 41.5 8876.3206 394.8073 662.9568 42.5 8903.9226 420.2610 688.3295 43.5 8932.1577 446.3066 714.2923 44.5 8961.0254 472.9436 740.8449 45.5 8990.5252 500.1715 767.9866 46.5 9020.6563 527.9898 795.7169 47.5 9051.4183 556.3980 824.0355 48.5 9082.8104 585.3955 852.9417 49.5 9114.8321 614.9818 882.4350 50.5 9147.4826 645.1563 912.5148 51.5 9180.7614 675.9185 943.1807 52.5 9214.6678 707.2678 974.4319 53.5 9249.2010 739.2036 1006.2680 54.5 9284.3604 771.7253 1038.6883 55.5 9320.1452 804.8322 1071.6923 56.5 9356.5548 838.5238 1105.2793 57.5 9393.5883 872.7994 1139.4487 58.5 9431.2451 907.6584 1174.1998 59.5 9469.5244 943.1002 1209.5321 60.5 9508.4253 979.1239 1245.4448 61.5 9547.9472 1015.7290 1281.9373 62.5 9588.0891 1052.9148 1319.0088 63.5 9628.8503 1090.6806 1356.6588 64.5 9670.2300 1129.0256 1394.8865 65.5 9712.2273 1167.9491 1433.6911 66.5 9754.8413 1207.4504 1473.0720 67.5 9798.0712 1247.5288 1513.0284 68.5 9841.9160 1288.1834 1553.5596 69.5 9886.3750 1329.4136 1594.6648 70.5 9931.4472 1371.2184 1636.3432 71.5 9977.1316 1413.5973 1678.5941 72.5 10023.4274 1456.5492 1721.4166 73.5 10070.3336 1500.0734 1764.8100 74.5 10117.8492 1544.1692 1808.7734 75.5 10165.9733 1588.8356 1853.3060 76.5 10214.7048 1634.0717 1898.4070 77.5 10264.0428 1679.8768 1944.0756 78.5 10313.9863 1726.2500 1990.3108 79.5 10364.5342 1773.1904 2037.1117