(MgO molecule: Coupled rovibronic calculations) mem 195 Gb (Hunds case a) atoms Mg O (masses 26.981539 15.999) molecule MgO (Total number of states taken into account) nstates 5 (Total angular momentum quantum - a value or an interval) jrot 0 - 2 ASSIGN_V_BY_COUNT (Defining the integration grid) grid npoints 501 range 0.02 8.00 type 0 end DIAGONALIZER SYEV enermax 37250 end ASSIGN_V_BY_COUNT CONTRACTION vib vmax 100 62 100 57 70 END ( vmax 40 32 40 27 20) symmetry Cs(M) (All potential functions must appear first followed by the couplings) poten 1 name "X1Sigma+" symmetry + type EMO lambda 0 mult 1 units cm-1 values V0 0.00000000000000E+00 RE 1.74826180226447e+00 fit ( 1.74825240937880e+00) AE 3.76420000000000E+04 RREF -1.00000000000000E+00 PL 4.00000000000000E+00 PR 4.00000000000000E+00 NL 2.00000000000000E+00 NR 6.00000000000000E+00 B0 1.52779384298901e+00 fit ( 1.52780044541548e+00) B1 -1.79313661976220e-01 fit ( -1.81329940884854e-01) B2 -1.15679921963044e-01 fit ( -1.12028671690347e-01) B3 7.59804471559196e-01 fit ( 7.56379054143886e-01) B4 0.00000000000000E+00 B5 0.00000000000000E+00 B6 0.00000000000000E+00 end poten 2 name "a3Pi" type EMO lambda 1 mult 3 units cm-1 values V0 2.62084964684931e+03 fit ( 2.62090343162425e+03) RE 1.86924402153412e+00 fit ( 1.86924118527880e+00) AE 21777.0 RREF -1.00000000000000E+00 PL 4.00000000000000E+00 PR 4.00000000000000E+00 NL 2.00000000000000E+00 NR 5.00000000000000E+00 B0 1.77675819926531e+00 fit ( 1.77674883519571e+00) B1 1.16884372615247e-01 fit ( 1.16913678947344e-01) B2 0.00000000000000E+00 B3 0.00000000000000E+00 B4 0.00000000000000E+00 B5 0.00000000000000E+00 end poten 3 name "A1Pi" type EMO lambda 1 mult 1 units cm-1 values V0 3.55911784271226e+03 fit ( 3.55911448635748e+03) RE 1.86420004566595e+00 fit ( 1.86420152451893e+00) AE 3.76420000000000E+04 RREF -1.00000000000000E+00 PL 7.00000000000000E+00 PR 7.00000000000000E+00 NL 2.00000000000000E+00 NR 6.00000000000000E+00 B0 1.35793847560778e+00 fit ( 1.35794455715313e+00) B1 -9.88125328921049e-02 fit ( -9.87168572130478e-02) B2 1.67276825386319e-02 fit ( 1.66018000195908e-02) B3 0.00000000000000E+00 B4 0.00000000000000E+00 B5 0.00000000000000E+00 B6 0.00000000000000E+00 end poten 4 name "B1Sigma+" type EMO symmetry + lambda 0 mult 1 values V0 1.99794501693904e+04 fit ( 1.99792304715048e+04) RE 1.73665064213658e+00 fit ( 1.73663230250833e+00) DE 43300 RREF -1.00000000000000E+00 PL 6.00000000000000E+00 PR 6.00000000000000E+00 NL 2.00000000000000E+00 NR 5.00000000000000E+00 B0 2.04202614963034e+00 fit ( 2.04210384755586e+00) B1 2.15483833630143e-01 fit ( 2.13018753949679e-01) B2 0.00000000000000E+00 B3 0.00000000000000E+00 B4 0.00000000000000E+00 B5 0.00000000000000E+00 end poten 5 name "b3Sigma+" symmetry + lambda 0 mult 3 morphing type BOBLEROY values RE 1.749 RREF -0.10000000000000E+00 P 0.30000000000000E+01 NT 0.30000000000000E+00 B0 1.0 B1 0.000000000000000000 B2 0.000000000000000000 B3 0.0 BINF 1.0 end (The couplings reference numbers must correspond to the reference number used in the potential functions above) spin-orbit-x 2 2 name "" spin 1 1 sigma 1 1 lambda 1 1 type polynom_decay_24 units cm-1 factor i (0, 1 or i) -i -i morphing values RE 1.86700000000000E+00 BETA 2.00000000000000E-02 GAMMA 1.50000000000000E-01 P 4.00000000000000E+00 B0 1.02475424310052e+00 fit ( 1.02580687127918e+00) B1 -3.24078755997124e-01 fit ( -3.52726642419801e-01) B2 0.00000000000000E+00 B3 0.00000000000000E+00 BINF 1.00000000000000E+00 end spin-orbit-x 1 2 name "" type BOBLEROY spin 0 1 sigma 0 1 lambda 0 1 0 -i factor i (0, 1 or i) morphing values RE 1.749 RREF -0.10000000000000E+00 P 0.30000000000000E+01 NT 0.30000000000000E+00 B0 9.30958421750263e-01 fit ( 9.33177804196661e-01) B1 0.000000000000000000 ( -5.76979393173860e-01) B2 0.000000000000000000 ( -5.09805816696626e-02) B3 0.0 BINF 1.0 end spin-orbit-x 3 2 name "" spin 0 1 type BOBLEROY units cm-1 factor i (0, 1 or i) sigma 0 0 lambda 1 1 -i -i morphing values RE 1.867 ( -1.85852981827978e+02) RREF -0.10000000000000E+00 P 0.30000000000000E+01 NT 0.30000000000000E+00 B0 9.96715085529745e-01 fit ( 9.96977102602161e-01) B1 0.0 B2 0.0 B3 0.0 BINF 1.0 end spin-orbit-x 4 2 name "" spin 0 1 type BOBLEROY units cm-1 factor i (0, 1 or i) sigma 0 1 lambda 0 1 0 -i morphing values RE 1.86700000000000e+00 ( 1.86700000000000e+00) RREF -0.10000000000000E+00 P 0.30000000000000E+01 NT 0.30000000000000E+00 B0 4.05722981954963e+00 fit ( 4.19556422001250e+00) B1 0.0 B2 0.0 B3 0.0 BINF 1.0 end spin-orbit-X 2 5 name "" spin 1 1 sigma 0 1 lambda 1 0 factor i -i 0 type BOBLEROY morphing values RE 1.86700000000000e+00 ( 1.86700000000000e+00) RREF -0.10000000000000E+00 P 0.30000000000000E+01 NT 0.30000000000000E+00 B0 1.28284508658416e+00 fit ( 1.31615231198836e+00) B1 0.0 B2 0.0 B3 0.0 BINF 1.0 end Lx 3 1 name "" lambda 1 0 spin 0 0 type BOBLEROY units cm-1 factor i (0, 1 or i) -i 0 morphing values RE 1.748 ( 1.40000000000000e+00) RREF -1 P 4 NT 2 B0 6.77493014096833e-01 fit ( 6.70656930710912e-01) B1 0 B2 0.0 B3 0.0 BINF 1.0 END Lx 2 5 name "" lambda 1 0 spin 1 1 type bobleroy fit_factor 1e-12 factor i -i 0 morphing values RE 1.748 ( 1.40000000000000e+00) RREF -1 P 4 NT 2 B0 9.97557972376687e-01 fit ( 9.58381170698190e-01) B1 0 B2 0.0 B3 0.0 BINF 0.0 END INTENSITY off absorption lande THRESH_INTES 1e-50 THRESH_LINE 1e-40 thresh_dipole 1e-7 TEMPERATURE 2000.0 nspin 0 0 linelist MgO_210_24-16_f120 J, 210,220 freq-window 0.0, 37250 energy low -0.001, 24000, upper -0.00, 37250 END dipole 1 1 name "" type grid lambda 0 0 mult 1 1 type polynom_decay_24 factor 2.541746363812 values RE 1.74000000000000E+00 BETA 1.00000000000000E-03 GAMMA 2.00000000000000E-02 P 4.00000000000000E+00 B0 -2.35194686865775E+00 B1 -3.32347821523271E+00 B3 -1.82677721805892E+00 B3 -2.60998395614866E+00 B4 -1.71059685028048E+00 BINF 0.00000000000000E+00 end dipole-x 1 3 name "" name "<1.1|L2|1>" lambda 0 0 spin 0 0 factor 1 type polynom_decay_24 0 -i values RE 1.80000000000000E+00 BETA 2.20000000000000E-01 GAMMA 0.00000000000000E+00 P 6.00000000000000E+00 B0 -1.24239294433051E+00 B1 -1.28872900852596E+00 B2 -5.72419661031414E-01 B3 -7.94543481895936E-01 B4 0.00000000000000E+00 B5 0.00000000000000E+00 B6 0.00000000000000E+00 BINF 0.00000000000000E+00 end dipole-x 4 3 name "" type grid lambda 0 1 mult 1 1 0 -i values 0.40 1.02117200 0.50 1.03240000 0.60 1.05439200 0.70 1.08714800 0.80 1.13066800 0.90 1.18495200 1.00 1.25000000 1.10 1.32581200 1.30 1.53986442 1.40 1.60538657 1.50 1.71036121 1.55 1.77781763 1.60 1.85243797 1.65 1.93202310 1.70 2.01450937 1.75 2.09804946 1.80 2.18077110 1.85 2.26061168 1.90 2.33517813 1.95 2.40237504 2.00 2.45603563 2.10 2.54653298 2.20 2.59430078 2.30 2.60517641 2.40 2.56387811 2.50 2.44463284 2.60 2.19138747 2.70 1.84090073 2.80 1.47920691 2.90 1.15501504 3.00 0.90180398 3.25 0.51348436 3.50 0.30616377 3.75 0.17785845 4.00 0.10544206 5.00 0.00867676 6.00 -0.00193910 10.00 -0.00280583 end dipole 4 4 name "" type grid lambda 0 0 mult 1 1 units ea0 values 1.300 -2.3244124 1.400 -2.1231960 1.500 -2.0667279 1.550 -2.0790342 1.600 -2.1082325 1.650 -2.1485318 1.700 -2.1951551 1.750 -2.2439466 1.800 -2.2915484 1.850 -2.3358304 1.900 -2.3762529 1.950 -2.4129521 2.000 -2.4505236 2.100 -2.4917811 2.200 -2.4984409 2.300 -2.4457197 2.400 -2.3014049 2.500 -2.0337056 2.600 -1.6215165 2.700 -1.0698707 2.800 -0.5902487 2.900 -0.2891774 3.000 -0.1597484 3.250 -0.2593087 3.500 -0.7180279 3.750 -1.4727993 4.000 -1.9179916 5.000 -0.1438134 6.000 -0.0095430 10.000 -0.0004793 end dipole 3 3 name "" type polynom_decay_24 lambda 1 1 mult 1 1 values RE 1.86900000000000E+00 BETA -4.98758332534411E-02 GAMMA 1.69745202612120E-02 P 3.00000000000000E+00 B0 -2.97453568126740E+00 B1 -6.13483240853231E+00 B2 -4.99901084287757E+00 B3 -1.63889510396286E+00 B4 9.84146905809251E-02 B5 1.58742371700847E-01 BINF 0.00000000000000E+00 end dipole 1 4 name "" type polynom_decay_24 lambda 0 0 mult 1 1 values RE 1.74000000000000E+00 BETA 1.70144091323997E-01 GAMMA -2.04237346600299E-03 P 3.00000000000000E+00 B0 2.76230955337737E+00 B1 -1.10280148784311E+00 B3 -3.67997995441009E+00 B3 -7.11942714664264E+00 B4 -1.08455932927155E+01 B4 1.00275255040450E+01 B6 1.19951363119437E+01 BINF 0.00000000000000E+00 end dipole 2 2 name "" type polynom_decay_24 lambda 1 1 mult 3 3 factor 2.541746363812 values RE 1.86900000000000E+00 BETA 5.09646296892669E-01 GAMMA 0.00000000000000E+00 P 4.00000000000000E+00 B0 -1.13872818210784E+00 B1 -2.57869735532766E+00 B2 -4.07478642219238E+00 B3 -4.54980007496202E+00 B4 0.00000000000000E+00 B5 0.00000000000000E+00 BINF 0.00000000000000E+00 end dipole-x 2 5 name "" type grid lambda 1 0 mult 3 3 -i 0 values 1.161 -4.4264914486 1.163 -4.2894877296 1.166 -4.0183164196 1.168 -3.7838632704 1.170 -3.4864285435 1.173 -2.8139871444 1.198 -1.1012887470 1.199 -1.0753616449 1.203 -0.9840245659 1.206 -0.9264274821 1.207 -0.9088485150 1.208 -0.8921740206 1.209 -0.8762169454 1.216 -0.7816465310 1.217 -0.7702119683 1.222 -0.7191636279 1.227 -0.6765681417 1.228 -0.6688963713 1.229 -0.6614686609 1.230 -0.6542981063 1.231 -0.6473543613 1.232 -0.6406249890 1.247 -0.5608601904 1.252 -0.5409797502 1.254 -0.5337263521 1.258 -0.5202994747 1.259 -0.5171438387 1.260 -0.5140737325 1.263 -0.5052922899 1.264 -0.5025011537 1.265 -0.4997779305 1.268 -0.4919864056 1.269 -0.4895046190 1.270 -0.4870805636 1.271 -0.4847080517 1.282 -0.4618398568 1.283 -0.4600215602 1.284 -0.4582319947 1.285 -0.4564857384 1.286 -0.4547771826 1.288 -0.4514582578 1.289 -0.4498483500 1.290 -0.4482716040 1.291 -0.4467252305 1.316 -0.4163926715 1.317 -0.4154464499 1.339 -0.3982961000 1.358 -0.3877151714 1.359 -0.3872437493 1.386 -0.3767537192 1.387 -0.3764372039 1.388 -0.3761249560 1.390 -0.3755139982 1.391 -0.3752144316 1.392 -0.3749187990 1.393 -0.3746274905 1.399 -0.3729566978 1.420 -0.3680261316 1.421 -0.3678213123 1.422 -0.3676191258 1.423 -0.3674192242 1.424 -0.3672216598 1.425 -0.3670264131 1.427 -0.3666425141 1.437 -0.3648471532 1.438 -0.3646782083 1.439 -0.3645111057 1.440 -0.3643456701 1.441 -0.3641821165 1.442 -0.3640201411 1.444 -0.3637012220 1.445 -0.3635441718 1.448 -0.3630824155 1.451 -0.3626342482 1.453 -0.3623426631 1.454 -0.3621989109 1.455 -0.3620565361 1.456 -0.3619155212 1.457 -0.3617757696 1.459 -0.3615001021 1.460 -0.3613641621 1.461 -0.3612293622 1.462 -0.3610958200 1.463 -0.3609634386 1.465 -0.3607020696 1.466 -0.3605730652 1.467 -0.3604451412 1.468 -0.3603182749 1.469 -0.3601924431 1.471 -0.3599438548 1.472 -0.3598210668 1.474 -0.3595783446 1.475 -0.3594584286 1.477 -0.3592212370 1.478 -0.3591040075 1.481 -0.3587572769 1.483 -0.3585301416 1.485 -0.3583062621 1.486 -0.3581953672 1.489 -0.3578671976 1.490 -0.3577591557 1.492 -0.3575451424 1.496 -0.3571246909 1.497 -0.3570210889 1.498 -0.3569180833 1.499 -0.3568155828 1.500 -0.3567136579 1.501 -0.3566122643 1.502 -0.3565114162 1.503 -0.3564110640 1.504 -0.3563111537 1.505 -0.3562117910 1.506 -0.3561129330 1.507 -0.3560144287 1.508 -0.3559164082 1.509 -0.3558189241 1.510 -0.3557217936 1.511 -0.3556250545 1.513 -0.3554328217 1.515 -0.3552421314 1.516 -0.3551472653 1.517 -0.3550528832 1.519 -0.3548649479 1.520 -0.3547714220 1.521 -0.3546783980 1.522 -0.3545855148 1.525 -0.3543085481 1.527 -0.3541252701 1.531 -0.3537615147 1.532 -0.3536711328 1.536 -0.3533114395 1.537 -0.3532219349 1.541 -0.3528654552 1.548 -0.3522460522 1.549 -0.3521579253 1.550 -0.3520698594 1.556 -0.3515424879 1.558 -0.3513669365 1.559 -0.3512791516 1.560 -0.3511913865 1.561 -0.3511035882 1.562 -0.3510158221 1.563 -0.3509280041 1.566 -0.3506644028 1.568 -0.3504884645 1.569 -0.3504004280 1.570 -0.3503122270 1.571 -0.3502240736 1.572 -0.3501358322 1.573 -0.3500475368 1.574 -0.3499591542 1.575 -0.3498706575 1.576 -0.3497820846 1.577 -0.3496933900 1.578 -0.3496046529 1.579 -0.3495157687 1.580 -0.3494267872 1.581 -0.3493376637 1.582 -0.3492484237 1.584 -0.3490695676 1.587 -0.3488002417 1.589 -0.3486199511 1.591 -0.3484390212 1.593 -0.3482596993 1.596 -0.3479860126 1.597 -0.3478944094 1.600 -0.3476184218 1.604 -0.3472475495 1.606 -0.3470608021 1.608 -0.3468731533 1.611 -0.3465898915 1.612 -0.3464949808 1.613 -0.3463998248 1.616 -0.3461128749 1.619 -0.3458235147 1.624 -0.3453357644 1.625 -0.3452373689 1.626 -0.3451386912 1.627 -0.3450396994 1.628 -0.3449404224 1.629 -0.3448408486 1.635 -0.3442370155 1.636 -0.3441353080 1.638 -0.3439308659 1.641 -0.3436215105 1.642 -0.3435177127 1.643 -0.3434135939 1.645 -0.3432052729 1.646 -0.3430998962 1.650 -0.3426761993 1.651 -0.3425695426 1.652 -0.3424622275 1.653 -0.3423547193 1.654 -0.3422468608 1.655 -0.3421386628 1.660 -0.3415919812 1.661 -0.3414815874 1.663 -0.3412595830 1.666 -0.3409238401 1.668 -0.3407044952 1.672 -0.3402417109 1.674 -0.3400111716 1.675 -0.3398953594 1.676 -0.3397791309 1.678 -0.3395454553 1.679 -0.3394280434 1.680 -0.3393102149 1.682 -0.3390733686 1.685 -0.3387149980 1.686 -0.3385938349 1.687 -0.3384736206 1.688 -0.3383525128 1.689 -0.3382310137 1.690 -0.3381090877 1.691 -0.3379867518 1.692 -0.3378640051 1.693 -0.3377408373 1.694 -0.3376172494 1.695 -0.3374932358 1.696 -0.3373688159 1.697 -0.3372439701 1.698 -0.3371186910 1.700 -0.3368668753 1.701 -0.3367403319 1.702 -0.3366133570 1.703 -0.3364859512 1.704 -0.3363581177 1.705 -0.3362298618 1.706 -0.3361011729 1.707 -0.3359720463 1.708 -0.3358424923 1.709 -0.3357125026 1.710 -0.3355820858 1.711 -0.3354512367 1.712 -0.3353199416 1.713 -0.3351882192 1.714 -0.3350560587 1.715 -0.3349234630 1.716 -0.3347904299 1.717 -0.3346569534 1.718 -0.3345230424 1.720 -0.3342539032 1.721 -0.3341187397 1.723 -0.3338469685 1.724 -0.3337103323 1.725 -0.3335734438 1.726 -0.3334360238 1.727 -0.3332980831 1.728 -0.3331597653 1.730 -0.3328818417 1.731 -0.3327422296 1.732 -0.3326021350 1.733 -0.3324616484 1.735 -0.3321792877 1.736 -0.3320374502 1.737 -0.3318951998 1.738 -0.3317524547 1.739 -0.3316091940 1.740 -0.3314655739 1.741 -0.3313215085 1.742 -0.3311770080 1.744 -0.3308866722 1.745 -0.3307408358 1.746 -0.3305945603 1.747 -0.3304478552 1.748 -0.3303006901 1.749 -0.3301530779 1.750 -0.3300050198 1.751 -0.3298565231 1.752 -0.3297075788 1.753 -0.3295581882 1.754 -0.3294083616 1.755 -0.3292580884 1.756 -0.3291073751 1.757 -0.3289562191 1.760 -0.3285000954 1.761 -0.3283471706 1.763 -0.3280400001 1.764 -0.3278857553 1.765 -0.3277310692 1.766 -0.3275760631 1.770 -0.3269515407 1.771 -0.3267941967 1.772 -0.3266360675 1.773 -0.3264779235 1.774 -0.3263193466 1.775 -0.3261587961 1.777 -0.3258393846 1.778 -0.3256789672 1.779 -0.3255182252 1.780 -0.3253569851 1.781 -0.3251953333 1.782 -0.3250332328 1.783 -0.3248707102 1.784 -0.3247077761 1.786 -0.3243806079 1.787 -0.3242163840 1.789 -0.3238866623 1.790 -0.3237211733 1.791 -0.3235552493 1.792 -0.3233889175 1.793 -0.3232221518 1.794 -0.3230548895 1.795 -0.3228873729 1.796 -0.3227193532 1.797 -0.3225509169 1.798 -0.3223820640 1.800 -0.3220444721 1.801 -0.3218743799 1.802 -0.3217038750 1.803 -0.3215329548 1.804 -0.3213616420 1.805 -0.3211897738 1.806 -0.3210176289 1.808 -0.3206721305 1.809 -0.3204987738 1.810 -0.3203249905 1.811 -0.3201508273 1.812 -0.3199762556 1.813 -0.3198012670 1.814 -0.3196259339 1.815 -0.3194501997 1.816 -0.3192740847 1.817 -0.3190975463 1.818 -0.3189205915 1.819 -0.3187432670 1.820 -0.3185655627 1.821 -0.3183874523 1.822 -0.3182089758 1.823 -0.3180301147 1.824 -0.3178508678 1.827 -0.3173108433 1.828 -0.3171300859 1.829 -0.3169489574 1.830 -0.3167674544 1.831 -0.3165855853 1.832 -0.3164033010 1.833 -0.3162207302 1.834 -0.3160377649 1.835 -0.3158544206 1.836 -0.3156707255 1.837 -0.3154866714 1.839 -0.3151174930 1.843 -0.3143748834 1.844 -0.3141883558 1.845 -0.3140014861 1.846 -0.3138142575 1.848 -0.3134388193 1.850 -0.3130620391 1.851 -0.3128731528 1.854 -0.3123045316 1.855 -0.3121143483 1.856 -0.3119238419 1.857 -0.3117330184 1.858 -0.3115418792 1.859 -0.3113504301 1.860 -0.3111586522 1.861 -0.3109665972 1.862 -0.3107742287 1.863 -0.3105815534 1.864 -0.3103885846 1.865 -0.3101953253 1.867 -0.3098078964 1.868 -0.3096137529 1.869 -0.3094193200 1.870 -0.3092246096 1.871 -0.3090296216 1.872 -0.3088343464 1.873 -0.3086388005 1.874 -0.3084429863 1.875 -0.3082468945 1.876 -0.3080505410 1.877 -0.3078539256 1.878 -0.3076570561 1.879 -0.3074599233 1.880 -0.3072625389 1.881 -0.3070649059 1.882 -0.3068670224 1.883 -0.3066689069 1.884 -0.3064705328 1.885 -0.3062719374 1.886 -0.3060731086 1.890 -0.3052755126 1.891 -0.3050755624 1.894 -0.3044744266 1.896 -0.3040726717 1.897 -0.3038715014 1.898 -0.3036701435 1.899 -0.3034685983 1.900 -0.3032668737 1.901 -0.3030649750 1.902 -0.3028628994 1.903 -0.3026606519 1.904 -0.3024582379 1.905 -0.3022556625 1.906 -0.3020529277 1.907 -0.3018500464 1.908 -0.3016475141 1.909 -0.3014443434 1.910 -0.3012410404 1.911 -0.3010376039 1.912 -0.3008340181 1.913 -0.3006303084 1.914 -0.3004264851 1.915 -0.3002225647 1.916 -0.3000185221 1.917 -0.2998143743 1.918 -0.2996100823 1.919 -0.2994057403 1.920 -0.2992013372 1.921 -0.2989968274 1.922 -0.2987922179 1.923 -0.2985875023 1.924 -0.2983828124 1.925 -0.2981779591 1.927 -0.2977681724 1.929 -0.2973582310 1.930 -0.2971532353 1.931 -0.2969481602 1.932 -0.2967430641 1.933 -0.2965379593 1.934 -0.2963328584 1.935 -0.2961277407 1.936 -0.2959226351 1.937 -0.2957174688 1.938 -0.2955124382 1.939 -0.2953073693 1.940 -0.2951023246 1.941 -0.2948973157 1.942 -0.2946923469 1.943 -0.2944874339 1.944 -0.2942825781 1.945 -0.2940777817 1.946 -0.2938730659 1.947 -0.2936684179 1.948 -0.2934638617 1.950 -0.2930551314 1.951 -0.2928508607 1.953 -0.2924427238 1.955 -0.2920351337 1.956 -0.2918315615 1.967 -0.2896051894 1.971 -0.2888029375 1.972 -0.2886031610 1.974 -0.2882045056 1.975 -0.2880057221 1.979 -0.2872143401 1.981 -0.2868210873 1.982 -0.2866251059 1.983 -0.2864295885 1.985 -0.2860400025 1.986 -0.2858459479 2.000 -0.2831913712 2.010 -0.2813856728 2.030 -0.2781221201 2.050 -0.2756198947 2.070 -0.2724776000 2.080 -0.2705267541 2.090 -0.2682386575 2.110 -0.2630727449 2.120 -0.2602924197 2.130 -0.2574157051 2.140 -0.2544578119 2.150 -0.2514299300 2.160 -0.2483399602 2.180 -0.2419964417 2.190 -0.2387511473 2.210 -0.2321281203 2.220 -0.2287545648 2.230 -0.2253416993 2.240 -0.2218907018 2.290 -0.2040834217 2.300 -0.2004137930 2.310 -0.1967076402 2.330 -0.1891865763 2.340 -0.1853665741 2.360 -0.1776061382 2.370 -0.1736629471 2.380 -0.1696758191 2.410 -0.1574266253 2.480 -0.1269510375 2.500 -0.1176704942 2.510 -0.1129237795 2.610 -0.0610611646 2.620 -0.0554153600 2.710 -0.0011372964 2.760 0.0310273339 2.790 0.0505844664 2.800 0.0570974915 2.960 0.1530619586 2.990 0.1678349945 3.000 0.1724494783 3.060 0.2028913335 3.080 0.2081815193 3.100 0.2125576193 3.120 0.2160696937 3.240 0.2193536343 3.260 0.2169961045 3.380 0.1897968111 3.420 0.1783056698 3.460 0.1670113174 3.480 0.1616134256 3.500 0.1564590486 3.600 0.1343158919 3.700 0.1177896969 3.720 0.1149949024 3.760 0.1098189044 3.980 0.0772992827 4.800 0.0000000000 4.850 0.0000000000 5.000 0.0000000000 5.100 0.0000000000 5.350 0.0000000000 5.450 0.0000000000 5.500 0.0000000000 5.750 0.0000000000 5.800 0.0000000000 5.950 0.0000000000 6.000 0.0000000000 6.150 0.0000000000 6.200 0.0000000000 6.250 0.0000000000 6.300 0.0000000000 6.400 0.0000000000 6.450 0.0000000000 6.500 0.0000000000 6.600 0.0000000000 6.800 0.0000000000 6.900 0.0000000000 7.000 0.0000000000 7.100 0.0000000000 7.200 0.0000000000 7.250 0.0000000000 7.300 0.0000000000 7.400 0.0000000000 7.450 0.0000000000 7.650 0.0000000000 7.700 0.0000000000 7.800 0.0000000000 7.850 0.0000000000 7.950 0.0000000000 8.000 0.0000000000 end dipole 5 5 name "" type grid lambda 0 0 mult 3 3 units ea0 values 1.200 -0.2013 1.300 -0.2704 1.400 -0.3796 1.500 -0.5246 1.550 -0.6068 1.600 -0.6943 1.650 -0.7865 1.700 -0.8828 1.750 -0.9825 1.800 -1.0853 1.850 -1.1905 1.900 -1.2978 1.950 -1.4065 2.000 -1.5162 2.100 -1.7363 2.200 -1.9595 2.300 -2.1920 2.400 -2.4206 2.500 -2.6456 2.600 -2.8657 2.700 -3.0805 2.800 -3.2897 2.900 -3.4924 3.000 -3.6875 3.250 -4.1246 3.500 -4.4293 3.750 -4.3669 4.000 -3.3589 5.000 -0.0728 6.000 -0.0073 10.000 -0.0003 end (20: add B2 to PEC1) (21: fit De) (22: add B2 to PEC1) (24: fit B0,B1 for PEC1 and SO12 B0) (26: add Lx 13) (27: B2 for PEC 1) (50: re 1) (52: SO 22) (56: undo all PEC fit, fit Lx 13) (57-c: so 23, 12 crash) (57-c1 so 12 crash) (58: so 23 only) (59: fit PEC 3) (60-c: unfit PEC 3, fit PEC 2, all SO with 2) (61: fit PEC 2 only) (62: higher J) (63: higher J fit PEC 2,3) (64-c: SO 2) (65: SO 2 b0 only) (67-c: PEC2,SO2 ) (68: PEC2) (69-c: SO2,b1) (72: -b1) (73: Jmax=61) FITTING JLIST 0 - 68 itmax 87 fit_factor 1e7 output MgO_119 thresh_obs-calc 1 fit_type DGELSS lock 50.0 robust 0.00001 frequencies (J parity NN energy ) (e-state v ilambda isigma weight) 7 -1 2 6 1 2 7.932261 1 1 0 0 0 1 1 0 1 0 100.000 06KaK 8 1 2 7 -1 2 9.064847 1 1 0 0 0 1 1 0 1 0 100.000 06KaK 10 1 2 9 -1 2 11.329280 1 1 0 0 0 1 1 0 1 0 100.000 06KaK 11 -1 2 10 1 2 12.461064 1 1 0 0 0 1 1 0 1 0 100.000 06KaK 7 -1 3 6 1 3 7.857538 1 2 0 0 0 1 2 0 2 0 100.000 06KaK 8 1 3 7 -1 3 8.979447 1 2 0 0 0 1 2 0 2 0 100.000 06KaK 10 1 3 9 -1 3 11.222523 1 2 0 0 0 1 2 0 2 0 100.000 06KaK 11 -1 3 10 1 3 12.343629 1 2 0 0 0 1 2 0 2 0 100.000 06KaK 12 1 3 11 -1 3 13.464408 1 2 0 0 0 1 2 0 2 0 100.000 06KaK 7 -1 4 6 1 4 7.779487 1 3 0 0 0 1 3 0 3 0 100.000 06KaK 10 1 4 9 -1 4 11.110900 1 3 0 0 0 1 3 0 3 0 100.000 06KaK 11 -1 4 10 1 4 12.220787 1 3 0 0 0 1 3 0 3 0 100.000 06KaK 12 1 4 11 -1 4 13.330330 1 3 0 0 0 1 3 0 3 0 100.000 06KaK 17 -1 15 16 1 1 39872.940000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 18 1 16 17 -1 1 39872.050000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 19 -1 17 18 1 1 39871.410000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 20 1 18 19 -1 1 39870.460000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 21 -1 19 20 1 1 39869.500000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 22 1 20 21 -1 1 39868.420000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 23 -1 21 22 1 1 39867.230000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 24 1 22 23 -1 1 39866.010000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 25 -1 23 24 1 1 39864.650000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 26 1 24 25 -1 1 39862.970000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 28 1 25 27 -1 1 39859.510000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 29 -1 26 28 1 1 39858.000000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 30 1 27 29 -1 1 39855.570000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 31 -1 28 30 1 1 39854.010000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 32 1 29 31 -1 1 39851.580000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 33 -1 30 32 1 1 39849.370000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 34 1 31 33 -1 1 39846.930000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 35 -1 32 34 1 1 39844.430000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 36 1 33 35 -1 1 39841.670000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 37 -1 34 36 1 1 39839.070000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 16 -1 35 16 1 1 39854.740000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 17 1 36 17 -1 1 39853.350000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 18 -1 37 18 1 1 39851.580000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 19 1 38 19 -1 1 39849.800000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 20 -1 39 20 1 1 39847.700000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 21 1 40 21 -1 1 39845.620000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 22 -1 41 22 1 1 39843.320000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 23 1 42 23 -1 1 39840.910000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 24 -1 43 24 1 1 39838.450000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 25 1 44 25 -1 1 39836.060000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 26 -1 45 26 1 1 39833.340000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 28 -1 46 28 1 1 39827.780000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 29 1 47 29 -1 1 39824.700000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 30 -1 48 30 1 1 39821.340000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 31 1 49 31 -1 1 39818.660000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 32 -1 50 32 1 1 39815.280000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 33 1 51 33 -1 1 39811.810000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 34 -1 52 34 1 1 39808.300000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 35 1 53 35 -1 1 39804.600000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 36 -1 54 36 1 1 39800.720000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 19 -1 55 20 1 1 39826.990000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 20 1 56 21 -1 1 39823.620000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 21 -1 57 22 1 1 39820.380000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 22 1 58 23 -1 1 39817.140000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 23 -1 59 24 1 1 39813.590000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 24 1 60 25 -1 1 39809.970000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 25 -1 61 26 1 1 39806.400000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 26 1 62 27 -1 1 39802.490000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 28 1 63 29 -1 1 39794.670000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 29 -1 64 30 1 1 39790.700000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 30 1 65 31 -1 1 39786.050000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 31 -1 66 32 1 1 39782.310000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 32 1 67 33 -1 1 39777.700000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 33 -1 68 34 1 1 39773.260000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 34 1 69 35 -1 1 39768.440000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 35 -1 70 36 1 1 39763.640000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 36 1 71 37 -1 1 39758.660000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 37 -1 72 38 1 1 39753.800000 10 0 1 0 1 1 0 0 0 0 100.000 73Si1 21 -1 73 20 1 2 39097.080000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 22 1 74 21 -1 2 39096.220000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 23 -1 75 22 1 2 39095.240000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 24 1 76 23 -1 2 39094.160000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 25 -1 77 24 1 2 39093.040000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 26 1 78 25 -1 2 39091.700000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 28 1 79 27 -1 2 39089.030000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 29 -1 80 28 1 2 39087.380000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 30 1 81 29 -1 2 39085.720000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 31 -1 82 30 1 2 39084.300000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 32 1 83 31 -1 2 39082.230000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 33 -1 84 32 1 2 39080.390000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 34 1 85 33 -1 2 39078.200000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 35 -1 86 34 1 2 39075.980000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 36 1 87 35 -1 2 39073.410000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 37 -1 88 36 1 2 39071.220000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 15 1 89 15 -1 2 39083.110000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 16 -1 90 16 1 2 39081.400000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 17 1 91 17 -1 2 39080.390000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 18 -1 92 18 1 2 39078.700000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 19 1 93 19 -1 2 39077.250000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 20 -1 94 20 1 2 39075.250000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 21 1 95 21 -1 2 39073.410000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 22 -1 96 22 1 2 39071.220000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 23 1 97 23 -1 2 39069.220000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 24 -1 98 24 1 2 39067.080000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 25 1 99 25 -1 2 39064.780000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 26 -1 100 26 1 2 39062.260000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 28 -1 101 28 1 2 39057.340000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 29 1 102 29 -1 2 39054.580000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 30 -1 103 30 1 2 39051.550000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 31 1 104 31 -1 2 39049.270000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 32 -1 105 32 1 2 39046.200000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 33 1 106 33 -1 2 39043.070000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 34 -1 107 34 1 2 39039.900000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 35 1 108 35 -1 2 39036.530000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 36 -1 109 36 1 2 39033.100000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 37 1 110 37 -1 2 39029.680000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 40 -1 111 40 1 2 39018.810000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 18 1 112 19 -1 2 39057.340000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 19 -1 113 20 1 2 39054.580000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 20 1 114 21 -1 2 39051.550000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 21 -1 115 22 1 2 39048.420000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 22 1 116 23 -1 2 39045.310000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 23 -1 117 24 1 2 39042.090000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 24 1 118 25 -1 2 39038.800000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 25 -1 119 26 1 2 39035.350000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 26 1 120 27 -1 2 39031.750000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 28 1 121 29 -1 2 39024.600000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 29 -1 122 30 1 2 39020.700000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 30 1 123 31 -1 2 39016.500000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 31 -1 124 32 1 2 39013.100000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 32 1 125 33 -1 2 39008.850000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 33 -1 126 34 1 2 39004.650000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 34 1 127 35 -1 2 39000.350000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 35 -1 128 36 1 2 38995.910000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 36 1 129 37 -1 2 38991.300000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 37 -1 130 38 1 2 38986.790000 10 0 1 0 1 1 1 0 1 0 100.000 73Si1 19 -1 131 18 1 1 37895.810000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 20 1 132 19 -1 1 37896.490000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 21 -1 133 20 1 1 37897.110000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 22 1 134 21 -1 1 37897.700000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 23 -1 135 22 1 1 37898.230000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 24 1 136 23 -1 1 37898.760000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 25 -1 137 24 1 1 37899.250000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 26 1 138 25 -1 1 37899.710000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 55 -1 139 54 1 1 37899.710000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 56 1 140 55 -1 1 37899.250000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 57 -1 141 56 1 1 37898.760000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 58 1 142 57 -1 1 37898.230000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 59 -1 143 58 1 1 37897.700000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 60 1 144 59 -1 1 37897.110000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 61 -1 145 60 1 1 37896.490000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 62 1 146 61 -1 1 37895.810000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 63 -1 147 62 1 1 37895.090000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 64 1 148 63 -1 1 37894.190000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 65 -1 149 64 1 1 37893.380000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 66 1 150 65 -1 1 37892.560000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 67 -1 151 66 1 151 37891.720000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 68 1 152 67 -1 152 37890.820000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 71 -1 153 70 1 153 37887.810000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 72 1 154 71 -1 154 37886.700000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 73 -1 155 72 1 155 37885.560000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 74 1 156 73 -1 156 37884.560000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 75 -1 157 74 1 157 37883.320000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 76 1 158 75 -1 158 37882.040000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 77 -1 159 76 1 159 37880.770000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 78 1 160 77 -1 160 37879.400000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 79 -1 161 78 1 161 37878.070000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 80 1 162 79 -1 162 37876.690000 10 0 1 0 1 1 0 0 0 0 20.000 73Six 81 -1 163 80 1 163 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50 -1 11 26403.070000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 50 -1 2308 51 1 11 26401.500000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 51 1 2309 52 -1 11 26399.910000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 52 -1 2310 53 1 11 26398.350000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 53 1 2311 54 -1 11 26396.720000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 54 -1 2312 55 1 11 26395.150000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 55 1 2313 56 -1 11 26393.520000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 56 -1 2314 57 1 11 26391.980000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 57 1 2315 58 -1 11 26390.260000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 58 -1 2316 59 1 11 26388.790000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 59 1 2317 60 -1 11 26387.040000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 20 1 2318 20 -1 11 26463.960000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 21 -1 2319 21 1 11 26463.720000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 22 1 2320 22 -1 11 26463.440000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 23 -1 2321 23 1 11 26463.230000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 24 1 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39 -1 2337 39 1 11 26457.490000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 40 1 2338 40 -1 11 26456.960000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 41 -1 2339 41 1 11 26456.480000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 42 1 2340 42 -1 11 26455.980000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 43 -1 2341 43 1 11 26455.430000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 44 1 2342 44 -1 11 26454.980000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 45 -1 2343 45 1 11 26454.430000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 46 1 2344 46 -1 11 26453.850000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 47 -1 2345 47 1 11 26453.280000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 48 1 2346 48 -1 11 26452.720000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 49 -1 2347 49 1 11 26452.150000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 50 1 2348 50 -1 11 26451.440000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 51 -1 2349 51 1 11 26450.870000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 52 1 2350 52 -1 11 26450.220000 10 1 1 1 0 3 1 1 0 1 100.000 65TrE 53 -1 2351 53 1 11 26449.520000 10 1 1 1 0 3 1 1 0 1 100.000 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3222.590725 2 0 1 1 0 1 0 0 0 0 0.000 1 34 1 10 0 1 1 3781.721464 2 1 1 0 1 1 0 0 0 0 0.000 2 34 1 11 0 1 1 3861.471725 2 1 1 1 0 1 0 0 0 0 0.000 1 34 1 17 0 1 1 4751.619579 3 1 1 0 1 1 0 0 0 0 0.000 2 34 1 22 0 1 1 5395.081929 3 2 1 0 1 1 0 0 0 0 0.000 2 34 1 27 0 1 1 6030.987479 3 3 1 0 1 1 0 0 0 0 0.000 2 34 1 178 0 1 1 20692.2362 4 0 0 0 0 1 0 0 0 0 10.000 10 34 -1 2 0 1 1 3144.337198 2 0 1 0 1 1 0 0 0 0 1.000 1 34 -1 3 0 1 1 3219.544198 2 0 1 1 0 1 0 0 0 0 1.000 1 34 -1 5 0 1 1 3780.376198 2 1 1 0 1 1 0 0 0 0 0.000 1 34 -1 11 0 1 1 4750.992997 3 1 1 0 1 1 0 0 0 0 0.000 1 34 -1 15 0 1 1 5394.384797 3 2 1 0 1 1 0 0 0 0 0.000 1 34 -1 19 0 1 1 6030.163997 3 3 1 0 1 1 0 0 0 0 0.000 1 35 1 3 0 1 1 3254.333725 2 0 1 1 0 1 0 0 0 0 0.000 1 35 1 5 0 1 1 3814.364725 2 1 1 0 1 1 0 0 0 0 0.000 1 35 1 11 0 1 1 4786.184225 3 1 1 0 1 1 0 0 0 0 0.000 1 35 1 15 0 1 1 5429.252825 3 2 1 0 1 1 0 0 0 0 0.000 1 35 1 19 0 1 1 6064.715225 3 3 1 0 1 1 0 0 0 0 0.000 1 35 -1 1 0 1 1 718.790925 1 0 0 0 0 1 0 0 0 0 11.000 11 35 -1 6 0 1 1 3180.365198 2 0 1 0 1 1 0 0 0 0 1.000 1 35 -1 7 0 1 1 3258.351581 2 0 1 1 0 1 0 0 0 0 1.000 1 35 -1 10 0 1 1 3816.827198 2 1 1 0 1 1 0 0 0 0 0.000 1 35 -1 11 0 1 1 3896.980389 2 1 1 1 0 1 0 0 0 0 0.000 2 35 -1 17 0 1 1 4785.829968 3 1 1 0 1 1 0 0 0 0 0.000 2 35 -1 22 0 1 1 5428.977618 3 2 1 0 1 1 0 0 0 0 0.000 2 35 -1 27 0 1 1 6064.581119 3 3 1 0 1 1 0 0 0 0 0.000 2 35 -1 178 0 1 1 20732.15173 4 0 0 0 0 1 0 0 0 0 0.000 8 36 1 1 0 1 1 759.251439 1 0 0 0 0 1 0 0 0 0 0.000 11 36 1 7 0 1 1 3294.138174 2 0 1 1 0 1 0 0 0 0 0.000 1 36 1 10 0 1 1 3851.93895 2 1 1 0 1 1 0 0 0 0 0.000 2 36 1 11 0 1 1 3932.492174 2 1 1 1 0 1 0 0 0 0 0.000 1 36 1 17 0 1 1 4822.010562 3 1 1 0 1 1 0 0 0 0 0.000 2 36 1 22 0 1 1 5464.834262 3 2 1 0 1 1 0 0 0 0 0.000 2 36 1 27 0 1 1 6100.118512 3 3 1 0 1 1 0 0 0 0 0.000 2 36 1 178 0 1 1 20774.18858 4 0 0 0 0 1 0 0 0 0 7.000 7 36 -1 5 0 1 1 3850.320581 2 1 1 0 1 1 0 0 0 0 0.000 1 36 -1 11 0 1 1 4821.365139 3 1 1 0 1 1 0 0 0 0 0.000 1 36 -1 15 0 1 1 5464.104339 3 2 1 0 1 1 0 0 0 0 0.000 1 36 -1 19 0 1 1 6099.239339 3 3 1 0 1 1 0 0 0 0 0.000 1 37 1 3 0 1 1 3327.912174 2 0 1 1 0 1 0 0 0 0 0.000 1 37 1 5 0 1 1 3886.271174 2 1 1 0 1 1 0 0 0 0 0.000 1 37 1 11 0 1 1 4858.516198 3 1 1 0 1 1 0 0 0 0 0.000 1 37 1 15 0 1 1 5500.916898 3 2 1 0 1 1 0 0 0 0 0.000 1 37 1 19 0 1 1 6135.714298 3 3 1 0 1 1 0 0 0 0 0.000 1 37 -1 1 0 1 1 801.827998 1 0 0 0 0 1 0 0 0 0 0.000 11 37 -1 6 0 1 1 3253.093581 2 0 1 0 1 1 0 0 0 0 0.000 1 37 -1 7 0 1 1 3331.892648 2 0 1 1 0 1 0 0 0 0 0.000 1 37 -1 10 0 1 1 3889.020614 2 1 1 0 1 1 0 0 0 0 0.000 2 37 -1 11 0 1 1 3969.969648 2 1 1 1 0 1 0 0 0 0 0.000 1 37 -1 17 0 1 1 4858.177592 3 1 1 0 1 1 0 0 0 0 0.000 2 37 -1 22 0 1 1 5500.667942 3 2 1 0 1 1 0 0 0 0 0.000 2 37 -1 27 0 1 1 6135.629842 3 3 1 0 1 1 0 0 0 0 0.000 2 37 -1 178 0 1 1 20816.39217 4 0 0 0 0 1 0 0 0 0 0.000 9 38 1 1 0 1 1 844.532145 1 0 0 0 0 1 0 0 0 0 0.000 11 38 1 7 0 1 1 3369.614956 2 0 1 1 0 1 0 0 0 0 0.000 1 38 1 10 0 1 1 3926.094565 2 1 1 0 1 1 0 0 0 0 0.000 2 38 1 11 0 1 1 4007.402065 2 1 1 1 0 1 0 0 0 0 0.000 2 38 1 17 0 1 1 4896.318131 3 1 1 0 1 1 0 0 0 0 0.000 2 38 1 22 0 1 1 5538.468581 3 2 1 0 1 1 0 0 0 0 0.000 2 38 1 27 0 1 1 6173.098481 3 3 1 0 1 1 0 0 0 0 0.000 2 38 1 178 0 1 1 20860.71465 4 0 0 0 0 1 0 0 0 0 7.000 7 38 -1 5 0 1 1 3924.194648 2 1 1 0 1 1 0 0 0 0 0.000 1 38 -1 11 0 1 1 4895.649845 3 1 1 0 1 1 0 0 0 0 0.000 1 38 -1 15 0 1 1 5537.702145 3 2 1 0 1 1 0 0 0 0 0.000 1 38 -1 19 0 1 1 6172.153945 3 3 1 0 1 1 0 0 0 0 0.000 1 39 1 5 0 1 1 3962.042956 2 1 1 0 1 1 0 0 0 0 0.000 1 39 1 11 0 1 1 4934.758464 3 1 1 0 1 1 0 0 0 0 0.000 1 39 1 15 0 1 1 5576.453864 3 2 1 0 1 1 0 0 0 0 0.000 1 39 1 19 0 1 1 6210.553164 3 3 1 0 1 1 0 0 0 0 0.000 1 39 -1 1 0 1 1 889.357764 1 0 0 0 0 1 0 0 0 0 10.000 10 39 -1 6 0 1 1 3329.755648 2 0 1 0 1 1 0 0 0 0 1.000 1 39 -1 7 0 1 1 3409.392764 2 0 1 1 0 1 0 0 0 0 1.000 1 39 -1 10 0 1 1 3965.156648 2 1 1 0 1 1 0 0 0 0 0.000 1 39 -1 11 0 1 1 4046.919764 2 1 1 1 0 1 0 0 0 0 0.000 1 39 -1 17 0 1 1 4934.438212 3 1 1 0 1 1 0 0 0 0 0.000 2 39 -1 22 0 1 1 5576.238762 3 2 1 0 1 1 0 0 0 0 0.000 2 39 -1 27 0 1 1 6210.528162 3 3 1 0 1 1 0 0 0 0 0.000 2 39 -1 178 0 1 1 20905.16296 4 0 0 0 0 1 0 0 0 0 0.000 7 40 1 1 0 1 1 934.305279 1 0 0 0 0 1 0 0 0 0 0.000 9 40 1 6 0 1 1 3369.035956 2 0 1 0 1 1 0 0 0 0 0.000 1 40 1 10 0 1 1 4004.212956 2 1 1 0 1 1 0 0 0 0 0.000 1 40 1 17 0 1 1 4974.533881 3 1 1 0 1 1 0 0 0 0 0.000 2 40 1 22 0 1 1 5615.976031 3 2 1 0 1 1 0 0 0 0 0.000 2 40 1 27 0 1 1 6249.921581 3 3 1 0 1 1 0 0 0 0 0.000 2 40 1 179 0 1 1 20951.80976 4 0 0 0 0 1 0 0 0 0 8.000 8 40 -1 3 0 1 1 3446.128764 2 0 1 1 0 1 0 0 0 0 1.000 1 40 -1 5 0 1 1 4001.929764 2 1 1 0 1 1 0 0 0 0 0.000 1 40 -1 11 0 1 1 4973.843379 3 1 1 0 1 1 0 0 0 0 0.000 1 40 -1 15 0 1 1 5615.172379 3 2 1 0 1 1 0 0 0 0 0.000 1 40 -1 19 0 1 1 6248.906179 3 3 1 0 1 1 0 0 0 0 0.000 1 41 1 11 0 1 1 5014.902298 3 1 1 0 1 1 0 0 0 0 0.000 1 41 1 15 0 1 1 5655.855298 3 2 1 0 1 1 0 0 0 0 0.000 1 41 1 19 0 1 1 6289.221598 3 3 1 0 1 1 0 0 0 0 0.000 1 41 -1 1 0 1 1 981.372398 1 0 0 0 0 1 0 0 0 0 9.000 9 41 -1 6 0 1 1 3410.352764 2 0 1 0 1 1 0 0 0 0 1.000 1 41 -1 10 0 1 1 4045.319764 2 1 1 0 1 1 0 0 0 0 0.000 1 41 -1 11 0 1 1 4127.809764 2 1 1 1 0 1 0 0 0 0 0.000 2 41 -1 17 0 1 1 5014.603395 3 1 1 0 1 1 0 0 0 0 0.000 2 41 -1 22 0 1 1 5655.678995 3 2 1 0 1 1 0 0 0 0 0.000 2 41 -1 27 0 1 1 6289.268645 3 3 1 0 1 1 0 0 0 0 0.000 2 42 1 1 0 1 1 1028.556912 1 0 0 0 0 1 0 0 0 0 0.000 9 42 1 17 0 1 1 5056.648381 3 1 1 0 1 1 0 0 0 0 0.000 2 42 1 22 0 1 1 5697.347131 3 2 1 0 1 1 0 0 0 0 0.000 2 42 1 27 0 1 1 6330.578681 3 3 1 0 1 1 0 0 0 0 0.000 2 42 1 179 0 1 1 21047.40976 4 0 0 0 0 1 0 0 0 0 5.000 5 42 -1 3 0 1 1 3529.524764 2 0 1 1 0 1 0 0 0 0 1.000 1 42 -1 5 0 1 1 4083.489764 2 1 1 0 1 1 0 0 0 0 0.000 1 42 -1 11 0 1 1 5055.933012 3 1 1 0 1 1 0 0 0 0 0.000 1 42 -1 15 0 1 1 5696.502712 3 2 1 0 1 1 0 0 0 0 0.000 1 42 -1 19 0 1 1 6329.484412 3 3 1 0 1 1 0 0 0 0 0.000 1 43 1 11 0 1 1 5098.938864 3 1 1 0 1 1 0 0 0 0 0.000 1 43 1 15 0 1 1 5739.114264 3 2 1 0 1 1 0 0 0 0 0.000 1 43 1 19 0 1 1 6371.706864 3 3 1 0 1 1 0 0 0 0 0.000 1 43 -1 1 0 1 1 1077.861864 1 0 0 0 0 1 0 0 0 0 9.000 9 43 -1 6 0 1 1 3494.809764 2 0 1 0 1 1 0 0 0 0 1.000 1 43 -1 10 0 1 1 4129.289764 2 1 1 0 1 1 0 0 0 0 0.000 1 43 -1 17 0 1 1 5098.663862 3 1 1 0 1 1 0 0 0 0 0.000 2 43 -1 22 0 1 1 5738.979562 3 2 1 0 1 1 0 0 0 0 0.000 2 43 -1 27 0 1 1 6371.839112 3 3 1 0 1 1 0 0 0 0 0.000 1 44 1 1 0 1 1 1127.279412 1 0 0 0 0 1 0 0 0 0 0.000 8 44 1 17 0 1 1 5142.653464 3 1 1 0 1 1 0 0 0 0 0.000 1 44 1 22 0 1 1 5782.576964 3 2 1 0 1 1 0 0 0 0 0.000 2 44 1 27 0 1 1 6415.059964 3 3 1 0 1 1 0 0 0 0 0.000 1 44 -1 11 0 1 1 5141.911912 3 1 1 0 1 1 0 0 0 0 0.000 1 44 -1 15 0 1 1 5781.684412 3 2 1 0 1 1 0 0 0 0 0.000 1 44 -1 19 0 1 1 6413.871112 3 3 1 0 1 1 0 0 0 0 0.000 1 45 1 11 0 1 1 5186.858764 3 1 1 0 1 1 0 0 0 0 0.000 1 45 1 15 0 1 1 5826.219364 3 2 1 0 1 1 0 0 0 0 0.000 1 45 1 19 0 1 1 6458.003564 3 3 1 0 1 1 0 0 0 0 0.000 1 45 -1 1 0 1 1 1178.816164 1 0 0 0 0 1 0 0 0 0 7.000 7 45 -1 17 0 1 1 5186.609512 3 1 1 0 1 1 0 0 0 0 0.000 1 45 -1 22 0 1 1 5826.130012 3 2 1 0 1 1 0 0 0 0 0.000 2 45 -1 27 0 1 1 6458.231112 3 3 1 0 1 1 0 0 0 0 0.000 1 46 1 1 0 1 1 1230.459212 1 0 0 0 0 1 0 0 0 0 0.000 7 46 1 17 0 1 1 5232.537964 3 1 1 0 1 1 0 0 0 0 0.000 1 46 1 22 0 1 1 5871.651064 3 2 1 0 1 1 0 0 0 0 0.000 2 46 1 27 0 1 1 6503.367364 3 3 1 0 1 1 0 0 0 0 0.000 1 46 -1 11 0 1 1 5231.766512 3 1 1 0 1 1 0 0 0 0 0.000 1 46 -1 15 0 1 1 5870.704812 3 2 1 0 1 1 0 0 0 0 0.000 1 46 -1 19 0 1 1 6502.070712 3 3 1 0 1 1 0 0 0 0 0.000 1 47 1 11 0 1 1 5278.649864 3 1 1 0 1 1 0 0 0 0 0.000 1 47 1 15 0 1 1 5917.160364 3 2 1 0 1 1 0 0 0 0 0.000 1 47 -1 1 0 1 1 1284.222864 1 0 0 0 0 1 0 0 0 0 6.000 6 47 -1 17 0 1 1 5278.428712 3 1 1 0 1 1 0 0 0 0 0.000 1 47 -1 22 0 1 1 5917.124412 3 2 1 0 1 1 0 0 0 0 0.000 2 47 -1 27 0 1 1 6548.441212 3 3 1 0 1 1 0 0 0 0 0.000 1 48 1 1 0 1 1 1338.086412 1 0 0 0 0 1 0 0 0 0 7.000 7 48 1 17 0 1 1 5326.291864 3 1 1 0 1 1 0 0 0 0 0.000 1 48 1 22 0 1 1 5964.564764 3 2 1 0 1 1 0 0 0 0 0.000 2 48 1 27 0 1 1 6595.481864 3 3 1 0 1 1 0 0 0 0 0.000 1 48 -1 11 0 1 1 5325.488312 3 1 1 0 1 1 0 0 0 0 0.000 1 48 -1 15 0 1 1 5963.559412 3 2 1 0 1 1 0 0 0 0 0.000 1 48 -1 19 0 1 1 6594.060612 3 3 1 0 1 1 0 0 0 0 0.000 1 49 1 11 0 1 1 5374.305564 3 1 1 0 1 1 0 0 0 0 0.000 1 49 1 15 0 1 1 6011.928464 3 2 1 0 1 1 0 0 0 0 0.000 1 49 1 19 0 1 1 6641.989564 3 3 1 0 1 1 0 0 0 0 0.000 1 49 -1 1 0 1 1 1394.073864 1 0 0 0 0 1 0 0 0 0 7.000 7 49 -1 17 0 1 1 5374.109512 3 1 1 0 1 1 0 0 0 0 0.000 1 49 -1 22 0 1 1 6011.948712 3 2 1 0 1 1 0 0 0 0 0.000 2 49 -1 27 0 1 1 6642.462112 3 3 1 0 1 1 0 0 0 0 0.000 1 50 1 1 0 1 1 1450.151312 1 0 0 0 0 1 0 0 0 0 6.000 6 50 1 17 0 1 1 5423.907664 3 1 1 0 1 1 0 0 0 0 0.000 1 50 1 22 0 1 1 6061.303964 3 2 1 0 1 1 0 0 0 0 0.000 2 50 1 27 0 1 1 6691.418364 3 3 1 0 1 1 0 0 0 0 0.000 1 50 -1 11 0 1 1 5423.067612 3 1 1 0 1 1 0 0 0 0 0.000 1 50 -1 15 0 1 1 6060.234512 3 2 1 0 1 1 0 0 0 0 0.000 1 50 -1 19 0 1 1 6689.835612 3 3 1 0 1 1 0 0 0 0 0.000 1 51 1 11 0 1 1 5473.752364 3 1 1 0 1 1 0 0 0 0 0.000 1 51 1 15 0 1 1 6110.507364 3 2 1 0 1 1 0 0 0 0 0.000 1 51 -1 1 0 1 1 1508.351364 1 0 0 0 0 1 0 0 0 0 5.000 5 51 -1 17 0 1 1 5473.648812 3 1 1 0 1 1 0 0 0 0 0.000 1 51 -1 22 0 1 1 6110.600312 3 2 1 0 1 1 0 0 0 0 0.000 2 52 1 1 0 1 1 1566.645512 1 0 0 0 0 1 0 0 0 0 0.000 5 52 1 17 0 1 1 5525.452364 3 1 1 0 1 1 0 0 0 0 0.000 1 52 1 22 0 1 1 6161.860664 3 2 1 0 1 1 0 0 0 0 0.000 2 52 -1 11 0 1 1 5524.446412 3 1 1 0 1 1 0 0 0 0 0.000 1 52 -1 15 0 1 1 6160.721812 3 2 1 0 1 1 0 0 0 0 0.000 1 52 -1 19 0 1 1 6789.392812 3 3 1 0 1 1 0 0 0 0 0.000 1 53 1 11 0 1 1 5577.251164 3 1 1 0 1 1 0 0 0 0 0.000 1 53 1 15 0 1 1 6212.892364 3 2 1 0 1 1 0 0 0 0 0.000 1 53 1 19 0 1 1 6841.151564 3 3 1 0 1 1 0 0 0 0 0.000 1 53 -1 1 0 1 1 1627.050264 1 0 0 0 0 1 0 0 0 0 6.000 6 53 -1 17 0 1 1 5577.046512 3 1 1 0 1 1 0 0 0 0 0.000 1 54 1 17 0 1 1 5630.751264 3 1 1 0 1 1 0 0 0 0 0.000 1 54 1 22 0 1 1 6266.223964 3 2 1 0 1 1 0 0 0 0 0.000 2 55 1 11 0 1 1 5684.355464 3 1 1 0 1 1 0 0 0 0 0.000 1 55 1 15 0 1 1 6319.069564 3 2 1 0 1 1 0 0 0 0 0.000 1 55 1 19 0 1 1 6946.272264 3 3 1 0 1 1 0 0 0 0 0.000 1 55 -1 1 0 1 1 1750.154564 1 0 0 0 0 1 0 0 0 0 6.000 6 56 1 17 0 1 1 5739.792864 3 1 1 0 1 1 0 0 0 0 0.000 1 56 1 22 0 1 1 6374.385464 3 2 1 0 1 1 0 0 0 0 0.000 2 57 1 15 0 1 1 6429.023864 3 2 1 0 1 1 0 0 0 0 0.000 1 57 1 19 0 1 1 7055.202564 3 3 1 0 1 1 0 0 0 0 0.000 1 57 -1 1 0 1 1 1877.650864 1 0 0 0 0 1 0 0 0 0 4.000 4 58 1 22 0 1 1 6486.339364 3 2 1 0 1 1 0 0 0 0 0.000 2 59 1 15 0 1 1 6542.750064 3 2 1 0 1 1 0 0 0 0 0.000 1 59 -1 1 0 1 1 2009.531264 1 0 0 0 0 1 0 0 0 0 3.000 3 60 1 22 0 1 1 6602.070364 3 2 1 0 1 1 0 0 0 0 0.000 2 61 1 15 0 1 1 6660.226764 3 2 1 0 1 1 0 0 0 0 0.000 1 61 -1 1 0 1 1 2145.775164 1 0 0 0 0 1 0 0 0 0 3.000 3 62 1 757 0 1 1 6721.578564 3 2 1 0 1 1 0 0 0 0 0.000 1 end abinitio poten 1 name "X 2Sigma+" symmetry + type grid lambda 0 mult 1 fit_factor 1e-5 units cm-1 values 1.30 45660.681 1.40 22980.227 1.50 9960.281 1.55 5968.389 1.60 3211.445 1.65 1430.090 1.70 415.540 1.75 0.000 1.80 49.195 1.85 455.899 1.90 1132.658 1.95 2008.959 2.00 3012.568 2.10 5343.389 2.20 7870.301 2.30 10440.950 2.40 12962.325 2.50 15389.322 2.60 17752.934 2.70 19967.725 2.80 22009.555 2.90 23912.316 3.00 25678.345 3.25 29512.321 3.50 32520.912 3.75 34633.145 4.00 35816.561 5.00 36726.975 6.00 36788.109 10.00 36803.460 end abinitio poten 2 name "a3Pi" type grid lambda 1 mult 3 fit_factor 1e-5 units cm-1 values 1.20 109851.177 1.30 64357.148 1.40 36306.543 1.50 19461.246 1.55 13913.807 1.60 9776.228 1.65 6761.838 1.70 4640.899 1.75 3229.350 1.80 2379.851 1.85 1974.363 1.90 1918.101 1.95 2134.814 2.00 2562.915 2.10 3862.525 2.20 5526.990 2.30 7389.487 2.40 9312.934 2.50 11203.855 2.60 12998.901 2.70 14646.187 2.80 16100.725 2.90 17327.998 3.00 18311.756 3.25 19813.542 3.50 20442.969 3.75 20697.520 4.00 20812.338 5.00 20898.100 6.00 20919.194 10.00 20933.673 end abinitio poten 3 name "A1PI" type grid lambda 1 mult 1 fit_factor 1e0 units cm-1 values 1.30 65401.158 1.40 37222.840 1.50 20312.748 1.55 14745.838 1.60 10597.958 1.65 7580.046 1.70 5461.609 1.75 4058.404 1.80 3223.150 1.85 2837.844 1.90 2807.372 1.95 3054.709 2.00 3506.502 2.10 4912.509 2.20 6709.265 2.30 8715.658 2.40 10827.371 2.50 12960.326 2.60 15126.716 2.70 17169.022 2.80 19115.167 2.90 20967.340 3.00 22721.656 3.25 26677.611 3.50 30037.915 3.75 32815.676 4.00 34938.270 5.00 36754.914 6.00 36807.215 10.00 36822.571 end abinitio poten 4 name "B1Sigma" type grid lambda 1 mult 1 fit_factor 1e0 units cm-1 values 1.30 66237.007 1.40 42407.678 1.50 29134.674 1.55 25132.360 1.60 22404.047 1.65 20677.914 1.70 19738.462 1.75 19414.188 1.80 19568.529 1.85 20091.483 1.90 20893.032 1.95 21900.403 2.00 23084.640 2.10 25663.860 2.20 28373.678 2.30 31021.029 2.40 33468.736 2.50 35585.024 2.60 37351.643 2.70 38496.996 2.80 39099.638 2.90 39352.047 3.00 39412.324 3.25 39317.899 3.50 39322.870 3.75 39664.950 4.00 40370.510 5.00 41871.879 6.00 41968.532 10.00 41990.040 end abinitio poten 5 name "b3Sigma+" type grid symmetry + lambda 0 mult 3 values 1.200 89965.61 1.300 53714.67 1.400 31815.75 1.500 19128.05 1.550 15137.34 1.600 12291.21 1.650 10349.34 1.700 9119.55 1.750 8448.39 1.800 8213.54 1.850 8317.53 1.900 8682.70 1.950 9247.15 2.000 9961.45 2.100 11689.15 2.200 13646.32 2.300 15715.81 2.400 17817.98 2.500 19894.25 2.600 21919.03 2.700 23869.69 2.800 25725.79 2.900 27475.70 3.000 29119.97 3.250 32804.44 3.500 35928.86 3.750 38524.03 4.000 40495.71 5.000 42300.71 6.000 42372.83 10.000 42394.49 end abinitio poten 6 name "C1Sigma" type grid lambda 1 mult 1 fit_factor 1e0 units cm-1 values 1.30 90642.121 1.40 62911.374 1.50 46227.586 1.55 40740.000 1.60 36651.192 1.65 33674.642 1.70 31581.818 1.75 30189.938 1.80 29352.388 1.85 28950.069 1.90 28884.771 1.95 29077.307 2.00 29480.601 2.10 30682.821 2.20 32194.821 2.30 33782.031 2.40 35310.167 2.50 36700.809 2.60 38014.854 2.70 39018.391 2.80 39767.344 2.90 40346.046 3.00 40786.209 3.25 41462.945 3.50 41781.460 3.75 41925.051 4.00 41985.106 5.00 42007.760 6.00 42004.005 10.00 42010.783 end abinitio spin-orbit-x 2 2 name "<+1|LSZ|-1>" spin 1 1 sigma 1 1 type grid factor i fit_factor 1e-5 -i -i weighting ps1997 0.001 20000.0 values 1.25 70.6108075 1.30 69.0818086 1.35 67.7128833 1.40 66.6577602 1.41 66.4597169 1.42 66.2701021 1.43 66.0886406 1.45 65.7489075 1.46 65.5900762 1.47 65.4386143 1.48 65.2935208 1.49 65.1548900 1.50 65.0224672 1.51 64.6750633 1.54 64.3162307 1.56 64.1019155 1.57 64.0018266 1.58 63.9062083 1.59 63.8149030 1.61 63.6445480 1.62 63.5652192 1.63 63.4895928 1.64 63.4175216 1.65 63.3489286 1.66 63.2836185 1.67 63.2214303 1.68 63.1622911 1.70 63.0526438 1.72 62.9539566 1.73 62.9083522 1.74 62.8651415 1.75 62.8242270 1.76 62.7855174 1.77 62.7489225 1.78 62.7143565 1.79 62.6817364 1.80 62.6509815 1.82 62.5947705 1.85 62.5226292 1.87 62.4818852 1.90 62.4305170 1.95 62.3667908 1.97 62.3473573 1.98 62.3386044 2.00 62.3224277 2.05 62.2803730 2.10 62.1890671 2.15 62.1938240 2.18 62.2692470 2.19 62.2979302 2.20 62.3280066 2.21 62.3594659 2.22 62.3923386 2.23 62.4265641 2.24 62.4623633 2.25 62.4997325 2.27 62.5794607 2.28 62.6219890 2.29 62.6664095 2.30 62.7128195 2.31 62.7613210 2.32 62.8120334 2.33 62.8650757 2.34 62.9205787 2.35 62.9786936 2.36 63.0395724 2.37 63.1033869 2.38 63.1703243 2.41 63.3920327 2.42 63.4737410 2.43 63.5598303 2.44 63.6506480 2.45 63.7465913 2.46 63.8480458 2.47 63.9555045 2.48 64.0695055 2.49 64.1906336 2.50 64.3195419 2.51 64.4569961 2.52 64.6037343 2.53 64.7607760 2.55 65.1094889 2.56 65.3031951 2.57 65.5112228 2.58 65.7344361 2.60 66.2297530 2.62 66.7919549 2.65 67.7518262 2.68 68.8025564 2.70 69.5179276 2.72 70.2188620 2.75 71.2082078 2.78 72.0899102 2.80 72.6067272 2.85 73.6094115 2.90 74.1934690 2.95 74.5343427 3.00 74.7684896 3.10 75.0929286 3.20 75.3189396 3.30 75.4902385 3.40 75.6271248 3.50 75.7422141 3.60 75.8490855 3.70 75.9761867 3.80 76.1108377 3.90 76.1992507 4.00 76.2548522 4.10 76.1232145 4.20 76.1753496 4.30 76.3336223 4.40 76.3456297 end abinitio spin-orbit-x 1 2 name "" spin 0 1 sigma 0 1 lambda 0 1 type grid factor i fit_factor 1e0 0 -i values 1.20 -27.10480000 1.30 -29.73250000 1.35 -30.67015000 1.40 -31.45080000 1.41 -31.59428080 1.42 -31.73485840 1.43 -31.87309560 1.44 -32.00955520 1.45 -32.14480000 1.46 -32.27939280 1.47 -32.41389640 1.48 -32.54887360 1.49 -32.68488720 1.50 -32.82250000 1.51 -33.02206608 1.52 -33.13892455 1.53 -33.25571656 1.54 -33.37277307 1.55 -33.48998876 1.56 -33.60739639 1.57 -33.72499606 1.58 -33.84281058 1.59 -33.96077023 1.60 -34.07912656 1.61 -34.19728746 1.62 -34.31567733 1.63 -34.43405424 1.65 -34.67072501 1.66 -34.78891776 1.67 -34.90694157 1.68 -35.02468416 1.69 -35.14210517 1.70 -35.25913943 1.71 -35.37566122 1.72 -35.49170292 1.73 -35.60714501 1.74 -35.72192447 1.75 -35.83597822 1.76 -35.94924363 1.77 -36.06166437 1.78 -36.17318673 1.79 -36.28376581 1.80 -36.39336002 1.82 -36.60942465 1.85 -36.92530930 1.87 -37.13020491 1.90 -37.42892059 1.92 -37.62239220 1.95 -37.90452796 1.97 -38.08774588 1.98 -38.17809729 2.00 -38.35674959 2.05 -38.80129088 2.08 -39.09030951 2.10 -39.32045087 2.15 -39.91522623 2.18 -40.20338681 2.19 -40.29286835 2.20 -40.38044563 2.21 -40.46666157 2.22 -40.55165443 2.23 -40.63605979 2.24 -40.71974798 2.25 -40.80287481 2.26 -40.88566275 2.27 -40.96810504 2.28 -41.05031485 2.29 -41.13242827 2.30 -41.21446944 2.31 -41.29651771 2.33 -41.46078562 2.34 -41.54315073 2.35 -41.62563009 2.36 -41.70829671 2.37 -41.79115688 2.38 -41.87421269 2.39 -41.95752112 2.40 -42.04091998 2.41 -42.12445350 2.42 -42.20805810 2.43 -42.29161414 2.44 -42.37504575 2.45 -42.45825599 2.46 -42.54089124 2.47 -42.62278481 2.48 -42.70364426 2.49 -42.78308780 2.50 -42.86063092 2.51 -42.93578622 2.52 -43.00769126 2.53 -43.07578615 2.55 -43.19608311 2.56 -43.24577828 2.57 -43.28657153 2.58 -43.31671468 2.60 -43.33784386 2.62 -43.29418279 2.65 -43.08084498 2.68 -42.68198747 2.70 -42.32951322 2.72 -41.92881808 2.75 -41.29415525 2.78 -40.70406888 2.80 -40.38571718 2.85 -40.03809561 2.90 -40.19659735 2.95 -40.44455615 3.00 -40.70233857 3.10 -41.34179827 3.20 -42.21177993 3.30 -43.28050309 3.40 -44.42527071 3.50 -45.46789318 3.60 -46.27311008 3.70 -46.81971812 3.80 -47.10248406 3.90 -47.19352708 4.00 -47.20250262 4.30 -47.11452209 4.40 -47.08623087 end abinitio spin-orbit-X 2 5 name "" spin 1 1 sigma 0 1 lambda 1 0 factor i -i 0 type grid fit_factor 1e0 values 1.20 -33.45279203 1.25 -36.54714578 1.30 -38.05793171 1.40 -39.74588339 1.41 -39.85362588 1.42 -39.95336124 1.43 -40.04560295 1.44 -40.13079604 1.45 -40.20936562 1.46 -40.28172011 1.47 -40.34794512 1.48 -40.40898871 1.49 -40.46486564 1.50 -40.51588190 1.51 -40.83767277 1.54 -40.95062499 1.55 -40.98020002 1.57 -41.02853738 1.58 -41.04766837 1.60 -41.07667517 1.61 -41.08684340 1.62 -41.09429543 1.63 -41.09915784 1.64 -41.10150822 1.65 -41.10142032 1.67 -41.09445276 1.68 -41.08766309 1.69 -41.07874305 1.70 -41.06778203 1.71 -41.05478163 1.72 -41.03985574 1.73 -41.02301266 1.74 -41.00429335 1.76 -40.96137962 1.77 -40.93725760 1.78 -40.91140869 1.79 -40.88386653 1.80 -40.85466500 1.82 -40.79141306 1.85 -40.68486422 1.87 -40.60634286 1.90 -40.47770288 1.92 -40.38476523 1.95 -40.23438677 1.97 -40.12638393 1.98 -40.06990949 2.05 -39.61285111 2.08 -39.35749202 2.10 -39.14057424 2.18 -38.17613504 2.19 -38.06828794 2.20 -37.96067974 2.21 -37.85245892 2.22 -37.74321684 2.23 -37.63234016 2.24 -37.51961598 2.25 -37.40471168 2.26 -37.28732284 2.28 -37.04421893 2.29 -36.91798676 2.30 -36.78833246 2.31 -36.65500269 2.32 -36.51775994 2.33 -36.37633027 2.35 -36.07977634 2.36 -35.92407979 2.38 -35.59615782 2.39 -35.42314987 2.40 -35.24360939 2.41 -35.05706398 2.42 -34.86299188 2.43 -34.66086746 2.44 -34.45005470 2.45 -34.22980404 2.46 -33.99953719 2.47 -33.75836072 2.48 -33.50532620 2.49 -33.23944772 2.50 -32.95962415 2.51 -32.66452213 2.52 -32.35296687 2.53 -32.02313447 2.55 -31.30258306 2.56 -30.90844581 2.57 -30.48927054 2.58 -30.04355235 2.60 -29.06601120 2.62 -27.96843238 2.65 -26.09891339 2.68 -24.01896924 2.70 -22.56164299 2.72 -21.07762272 2.75 -18.85512422 2.78 -16.68961301 2.80 -15.30050381 2.85 -12.18927521 2.90 -9.94369710 2.95 -8.39585385 3.90 -0.46173631 4.00 -0.34193247 4.10 -0.38458426 4.20 -0.26967308 4.40 -0.10341799 4.50 -0.06972424 4.60 -0.05173803 4.70 -0.03815226 4.80 -0.03987792 4.90 -0.02875746 5.00 -0.02049670 5.20 -0.00663469 5.40 -0.00395265 5.60 0.00259534 5.80 0.00112077 6.20 0.00195447 6.50 0.00377159 6.70 0.00176651 7.00 0.00171683 7.20 0.00157043 7.40 0.00129541 7.50 0.00123338 7.70 0.00111690 8.00 0.00096530 9.00 0.00060813 10.00 0.00039868 end abinitio spin-orbit-x 3 2 name "" spin 1 0 sigma 0 0 type grid factor i fit_factor 1e0 -i -i values 1.25 -69.9334632 1.30 -68.2801413 1.35 -66.8681272 1.40 -65.7883235 1.41 -65.5859992 1.42 -65.3923044 1.43 -65.2069607 1.44 -65.0296093 1.45 -64.8599497 1.46 -64.6977197 1.47 -64.5430316 1.48 -64.3948662 1.49 -64.2533220 1.50 -64.1181439 1.51 -63.9288092 1.52 -63.7994181 1.53 -63.6755153 1.54 -63.5576314 1.55 -63.4440068 1.56 -63.3352399 1.57 -63.2311434 1.58 -63.1315258 1.59 -63.0362242 1.60 -62.9450153 1.61 -62.8578439 1.62 -62.7744768 1.63 -62.6947872 1.64 -62.6186138 1.65 -62.5458791 1.66 -62.4763593 1.67 -62.4099204 1.68 -62.3464665 1.69 -62.2858391 1.70 -62.2279710 1.71 -62.1728074 1.72 -62.1200799 1.73 -62.0697042 1.74 -62.0216006 1.75 -61.9756602 1.76 -61.9317794 1.77 -61.8898550 1.78 -61.8497874 1.80 -61.7748333 1.82 -61.7061679 1.85 -61.6133820 1.87 -61.5573170 1.90 -61.4801098 1.92 -61.4321438 1.95 -61.3633075 1.97 -61.3179292 1.98 -61.2948845 2.00 -61.2468792 2.05 -61.0954938 2.08 -60.9405186 2.10 -60.7703844 2.12 -60.5751034 2.15 -60.3527807 2.18 -60.2178681 2.19 -60.1819422 2.20 -60.1479692 2.21 -60.1149588 2.22 -60.0824838 2.23 -60.0497171 2.24 -60.0166128 2.25 -59.9828000 2.26 -59.9479662 2.27 -59.9119177 2.28 -59.8744005 2.29 -59.8352190 2.30 -59.7941693 2.31 -59.7510225 2.32 -59.7055921 2.33 -59.6576441 2.34 -59.6069061 2.35 -59.5532382 2.36 -59.4963411 2.37 -59.4359588 2.38 -59.3718104 2.39 -59.3035275 2.40 -59.2309098 2.41 -59.1535684 2.42 -59.0711259 2.43 -58.9832112 2.44 -58.8893652 2.45 -58.7890609 2.46 -58.6819973 2.47 -58.5675766 2.48 -58.4452194 2.49 -58.3143664 2.50 -58.1744374 2.51 -58.0247091 2.52 -57.8647511 2.53 -57.6936074 2.55 -57.3159595 2.56 -57.1085837 2.57 -56.8884159 2.58 -56.6556388 2.60 -56.1537602 2.62 -55.6119366 2.65 -54.7645024 2.70 -53.5382800 2.72 -53.2272480 2.75 -53.0854474 2.78 -53.4631639 2.80 -54.0710559 2.85 -56.8021090 2.90 -59.8606924 2.95 -62.1404488 3.00 -63.8488514 3.10 -66.2924554 3.20 -67.8837576 3.30 -68.9022928 3.40 -69.5456152 3.50 -69.9511273 3.60 -70.2092580 3.70 -70.3801475 3.80 -70.4983536 3.90 -70.5757945 4.00 -70.6265334 end abinitio spin-orbit-X 4 2 name "" spin 0 1 type grid factor i fit_factor 1e0 0 -i values 1.30 -27.23728657 1.35 -27.19418193 1.40 -27.15377781 1.41 -27.13219532 1.42 -27.10588738 1.43 -27.07489257 1.44 -27.03901945 1.45 -26.99816541 1.46 -26.95259566 1.47 -26.90226197 1.48 -26.84753292 1.49 -26.78841787 1.50 -26.72502180 1.51 -26.69371549 1.52 -26.63104109 1.53 -26.56359545 1.54 -26.49127357 1.55 -26.41426859 1.56 -26.33279533 1.57 -26.24701234 1.58 -26.15707423 1.59 -26.06320960 1.60 -25.96528276 1.61 -25.86410034 1.62 -25.75929651 1.63 -25.65128803 1.65 -25.42605788 1.66 -25.30924548 1.67 -25.18978894 1.68 -25.06792004 1.69 -24.94376315 1.70 -24.81748557 1.71 -24.68921700 1.72 -24.55917170 1.73 -24.42747648 1.74 -24.29427905 1.75 -24.15973358 1.76 -24.02399382 1.77 -23.88720954 1.78 -23.74952981 1.79 -23.61109942 1.80 -23.47206081 1.82 -23.19275317 1.85 -22.77275855 1.87 -22.49361230 1.90 -22.07865460 1.92 -21.80586566 1.95 -21.40461377 1.97 -21.14355908 1.98 -21.01524711 2.00 -20.76359208 2.05 -20.16867186 2.08 -19.84340809 2.10 -19.65161381 2.15 -19.29469649 2.18 -19.08462884 2.19 -19.01336434 2.20 -18.94282193 2.21 -18.87359016 2.22 -18.80599781 2.23 -18.74029096 2.24 -18.67675832 2.25 -18.61555186 2.26 -18.55678895 2.27 -18.50056915 2.28 -18.44697829 2.29 -18.39608610 2.30 -18.34794426 2.31 -18.30260514 2.33 -18.22050609 2.34 -18.18381868 2.35 -18.15006139 2.36 -18.11927527 2.37 -18.09148968 2.38 -18.06673911 2.39 -18.04508565 2.40 -18.02655490 2.41 -18.01125787 2.42 -17.99918247 2.43 -17.99046087 2.44 -17.98513449 2.45 -17.98359456 2.46 -17.98587382 2.47 -17.99236973 2.48 -18.00302077 2.49 -18.01874686 2.50 -18.03956682 2.51 -18.06616799 2.52 -18.09928477 2.53 -18.13944958 2.55 -18.24470945 2.56 -18.31156060 2.57 -18.38953578 2.58 -18.47934187 2.60 -18.70021236 2.62 -18.98001424 2.65 -19.52077019 2.68 -20.19440067 2.70 -20.70370596 2.72 -21.25074950 2.75 -22.12261345 2.78 -23.03228638 2.80 -23.64242877 2.85 -24.99305691 2.90 -25.69387458 2.95 -25.84223488 3.00 -25.69781243 3.10 -24.84300629 3.20 -23.30786221 3.30 -21.09423113 3.40 -18.27561638 3.50 -15.09476176 3.60 -11.90463133 3.70 -8.98354614 3.80 -6.61714032 3.90 -4.89667416 4.00 -3.64362457 4.30 -1.53731477 4.40 -1.15998538 5.60 -0.03968175 6.50 -0.00069379 8.50 -0.00118406 end abinitio Lx 3 1 name "" lambda 1 0 spin 0.0 0.0 type grid fit_factor 1e0 factor i -i 0 values 1.51 -0.51843564 1.52 -0.51922298 1.53 -0.52016672 1.54 -0.52126791 1.55 -0.52252044 1.56 -0.52391720 1.57 -0.52545291 1.58 -0.52712205 1.59 -0.52891782 1.60 -0.53084083 1.61 -0.53287244 1.62 -0.53501785 1.63 -0.53726687 1.64 -0.53961530 1.65 -0.54205791 1.66 -0.54458831 1.67 -0.54720250 1.68 -0.54989423 1.69 -0.55265930 1.70 -0.55549250 1.71 -0.55838913 1.72 -0.56134478 1.73 -0.56435501 1.74 -0.56741559 1.75 -0.57052245 1.76 -0.57367159 1.77 -0.57685922 1.78 -0.58008173 1.79 -0.58333567 1.80 -0.58661777 1.82 -0.59325349 1.85 -0.60334335 1.87 -0.61013087 1.90 -0.62035998 1.92 -0.62719070 1.95 -0.63742774 1.97 -0.64423848 1.98 -0.64763959 2.00 -0.65443707 2.05 -0.67154381 2.08 -0.68222154 2.10 -0.68966263 2.15 -0.70562110 2.18 -0.71461866 2.19 -0.71766803 2.20 -0.72072806 2.21 -0.72379270 2.22 -0.72685648 2.23 -0.72992053 2.24 -0.73297898 2.25 -0.73603091 2.26 -0.73907672 2.27 -0.74211559 2.28 -0.74514740 2.29 -0.74817332 2.30 -0.75119358 2.31 -0.75420925 2.32 -0.75722126 2.33 -0.76023097 2.34 -0.76324037 2.35 -0.76624973 2.36 -0.76926136 2.37 -0.77227697 2.38 -0.77529847 2.39 -0.77832881 2.40 -0.78136803 2.41 -0.78441987 2.42 -0.78748669 2.43 -0.79056985 2.44 -0.79367250 2.45 -0.79679780 2.46 -0.79994589 2.47 -0.80312001 2.48 -0.80632239 2.49 -0.80955490 2.50 -0.81281871 2.51 -0.81611618 2.52 -0.81944531 2.53 -0.82280983 2.55 -0.82963524 2.56 -0.83309094 2.57 -0.83657076 2.58 -0.84006810 2.60 -0.84709151 2.62 -0.85409796 2.65 -0.86444917 2.68 -0.87450330 2.70 -0.88107591 2.72 -0.88763321 2.75 -0.89768876 2.78 -0.90844525 2.80 -0.91628345 2.85 -0.93889688 2.90 -0.96437377 2.95 -0.99188620 3.00 -1.02211386 3.10 -1.09120537 3.20 -1.17106097 3.30 -1.25927475 3.40 -1.34998783 3.50 -1.43441332 3.60 -1.50511328 3.70 -1.55995016 3.80 -1.59818243 3.90 -1.62244726 4.00 -1.63833690 4.10 -1.65497617 4.20 -1.67151567 7.00 -1.70094164 7.20 -1.70095486 7.40 -1.72247889 7.50 -1.72247817 7.70 -1.72247630 8.00 -1.72247335 9.00 -1.72246177 10.00 -1.72245185 end abinitio Lx 2 5 name "" lambda 1 0 spin 1 1 type grid fit_factor 1e0 factor i -i 0 values 1.51 0.93323818 1.54 0.93485487 1.55 0.93534293 1.57 0.93624285 1.58 0.93665511 1.60 0.93740567 1.61 0.93774475 1.62 0.93806018 1.63 0.93835285 1.64 0.93862256 1.65 0.93887020 1.67 0.93930132 1.68 0.93948580 1.69 0.93965033 1.70 0.93979547 1.71 0.93992171 1.72 0.94002967 1.73 0.94011987 1.74 0.94019281 1.76 0.94028902 1.77 0.94031337 1.78 0.94032238 1.79 0.94031660 1.80 0.94029651 1.82 0.94021509 1.85 0.93999624 1.87 0.93979055 1.90 0.93940032 1.92 0.93909087 1.95 0.93856243 1.97 0.93817721 1.98 0.93797696 2.05 0.93668505 2.08 0.93663877 2.10 0.93716125 2.18 0.93503835 2.19 0.93434925 2.20 0.93362041 2.21 0.93285223 2.22 0.93204394 2.23 0.93119698 2.24 0.93030610 2.25 0.92937008 2.26 0.92838706 2.28 0.92626823 2.29 0.92512652 2.30 0.92392538 2.31 0.92266100 2.32 0.92132983 2.33 0.91992635 2.35 0.91688390 2.36 0.91523369 2.38 0.91164426 2.39 0.90968917 2.40 0.90761599 2.41 0.90541572 2.42 0.90307762 2.43 0.90058959 2.44 0.89793745 2.45 0.89510737 2.46 0.89208312 2.47 0.88884529 2.48 0.88537224 2.49 0.88164024 2.50 0.87762256 2.51 0.87328764 2.52 0.86860386 2.53 0.86352701 2.55 0.85203644 2.56 0.84552723 2.57 0.83843957 2.58 0.83072504 2.60 0.81320797 2.62 0.79265779 2.65 0.75582283 2.68 0.71258531 2.70 0.68105642 2.72 0.64799875 2.75 0.59667936 2.78 0.54442377 2.80 0.50954818 2.85 0.42643976 2.90 0.36079644 2.95 0.31232816 3.90 0.01895071 4.00 0.01423413 4.10 0.00508076 4.20 0.00301348 4.40 0.00474153 4.50 -0.00012720 4.60 -0.00012778 4.70 -0.00011852 4.80 0.00022194 4.90 0.00014982 5.00 0.00010237 5.20 -0.00004974 5.40 0.00002794 5.60 0.00020454 5.80 -0.00001142 6.20 0.00000413 6.50 0.00002055 6.70 -0.00000098 7.00 0.00000071 7.20 0.00000042 7.40 -0.00000009 7.50 -0.00000009 7.70 -0.00000007 8.00 0.00000015 9.00 -0.00000064 10.00 -0.00000059 end