* DUMB molcode name -D00 npart coeff(1:npart) number of atomic species, followed by pairs of atom. number and number of atoms. * Note that for e- I use 99, and positive ions are denoted by .01 in code. * produced from polyatomic_merge.srt of Irwin, after removal of all Sauval and * Tatum species. BPz 21/08-1996 * log(Q) = sum_0^npart-1 ai log(T)^i * The second part of the file (containing the diatomics numbered from 1 to 260) * was produced from Sauval data file (received in 1994, update of Sauval et Tatum). * Based on Huber and Herzberg. D00 added for 32 elts * (handbook of chem & phys 92-93); still missing for 6. 26/08-96 * D00 for diatomic oxides updated with Pedley, J.B., Marshall, E.M., 1983, * JPCRD, 12, 967. D00 for NaH, KH, RbH, CsH slightly updated with * Stwalley, W.C., Zemke, W.T., Yang, S.C., 1991, JPCRD, 20, 153. 4/09-96 * CO and H2 from Irwin. * Positive diatomic ions (number 701 to 736) are from Sauval (private comm. * 10/09-1996). BPz inserts a Doo for TaO+. H3+ from Neale&Tennyson, 95,ApJ454,L169. * FeH added without a partition function. Partition fct estimated and fitted BPz 27/01-1998, revised 19/02-1998. * D00(CrO) updated from 4.40 to 4.74eV (Hedgecock et al. 1996? Chemical physics). * 09/06-1997: BPz adds TiO+, LaO+ and ZrO+. Following a suggestion by A. Irwin, * parttion fucntion data for isoelectronic molecules is subsituted: * ScO for TiO+, YO for ZrO+, and BaO for LaO+. For "D00" I have inserted * IP(neutral molec.) - D00(neutral molec.). E.g. for TiO+: IP(TiO)-D00(TiO) * original data transformed to same format as Irwin (ie polynomial in lnT, and * not in log10(theta). * lnQ = a0 + a1 lnT + a2 (lnT)^2 + etc * NOTE: D00 is the energy difference between the molecular species and the * fully dissociated state (all numbers negative): * D00(H2) is the dissociation energy of H2, * D00(C3) is the energy difference between C3 and C+C+C, which is different * from the energy of dissociation of C3 --> C2 + C. * D00(H2+) is D00(H2) - IP(H2), i.e. the energy difference between H2+ and * H + H. * D00(H-) is the electron affinity of H. * D00(C2-) is D00(C2) + e-affinity(C2) * D00(TiO) changed from 6.923 to 6.87eV BPz 5/5-1997 * D00(NH) changed from 3.47 to 3.42 following Tarroni et al., 1997, JCP 106, 10265 BPz 19/09-2007 * D00(NH+) changed accordingly from 10.208 to 10.068 BPz 19/09-2007 * D00(CrH) changed from 2.863 to 1.93 following Chen et al. 1993, JCP, 98, 4929; IP(CrH)=7.33 implemented in atomdata-v09.1 * D00(FeH) changed from 1.94 to 1.59 following Schultz & Armentrout, 1991, JCP, 94, 2262; IP(FeH)=7.37 implemented in atomdata-v09.1 * D00(MgH) changed from 1.34 to 1.285 following Shayesteh et al. 2007, J. Phys. Chem. A, 111, 12495 (BPz 25/06-2009) * TiH added using data from Burrows et al. 2005, ApJ 624, 988 (BPz 02/01-2005) * FeF D00 added from Bauschlicher, 1996, chem. phys. 211, 163 (was zero before, and Tsuji's data was used) BPz 12/04-2012. * second column updated in order to be able to automatically select species in takemolec.f * 604 10100.00 'H H -' -2.254 4 -1.79387754D+01 7.40679350D+00 -1.00253230D+00 5.18870778D-02 2 1 2 99 1 626 60600.00 'C C -' -9.479 4 -1.70757281D+01 7.06443769D+00 -7.77119619D-01 3.86465367D-02 2 6 2 99 1 630 60700.00 'C N -' -11.721 4 -2.12812485D-01 2.19149150D+00 -4.05382815D-01 3.15170146D-02 3 6 1 7 1 99 1 634 61600.00 'C S -' -7.560 5 3.60317170D+02 -1.82503557D+02 3.50509086D+01 -2.97150557D+00 9.46996415D-02 3 6 1 16 1 99 1 637 70800.00 'N O -' -6.523 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 3 7 1 8 1 99 1 638 10800.00 'O H -' -6.220 4 -9.18485119D+00 4.39133521D+00 -6.11141995D-01 3.53458320D-02 3 1 1 8 1 99 1 645 90900.00 'F F -' -4.682 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 9 2 99 1 659 11400.00 'SiH -' -4.337 4 -1.06121994D+01 5.51595235D+00 -7.49335358D-01 4.23810483D-02 3 1 1 14 1 99 1 667 11600.00 'S H -' -5.864 3 9.45533152D+00 -2.49482470D+00 2.54149131D-01 3 1 1 16 1 99 1 285 100.00 'H -' -0.754209 1 0.00000000D+00 2 1 1 99 1 286 101.00 'H H' -4.478 8 1.67299143D+04 -1.49946118D+04 5.74841732D+03 -1.22211056D+03 1.55638203D+02 -1.18745362D+01 5.02619278D-01 -9.10565765D-03 1 1 2 287 202.00 'HeHe' -0.001 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 2 2 288 210.01 'HeNe+' 20.873 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 3 2 1 10 1 99 -1 289 319.00 'LiK' -0.810 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 3 1 19 1 290 335.00 'LiBr' -4.330 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 3 1 35 1 291 353.00 'LiI' -3.540 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 3 1 53 1 292 535.00 'B Br' -4.489 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 5 1 35 1 293 608.00 'C O' -11.092 9 5.05610302D+04 -5.19599905D+04 2.33277212D+04 -5.97599309D+03 9.55509309D+02 -9.76516789D+01 6.22988408D+00 -2.26856236D-01 3.61025310D-03 2 6 1 8 1 294 735.00 'N Br' -2.901 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 7 1 35 1 295 900.00 'F -' -3.399 1 0.00000000D+00 2 9 1 99 1 296 1010.00 'NeNe' -0.002 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 10 2 297 1135.00 'NaBr' -3.739 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 11 1 35 1 298 1153.00 'NaI' -2.976 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 11 1 53 1 299 1235.00 'MgBr' -3.350 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 12 1 35 1 300 1335.00 'AlBr' -4.430 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 13 1 35 1 301 1353.00 'AlI' -3.770 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 13 1 53 1 302 1453.00 'SiI' -2.976 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 14 1 53 1 303 1700.00 'Cl-' -3.617 1 0.00000000D+00 2 17 1 99 1 304 1818.00 'ArAr' -0.011 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 18 2 305 2020.00 'CaCa' -0.129 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 20 2 306 1727.00 'CoCl' -3.967 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 17 1 27 1 307 1728.00 'NiCl' -3.820 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 17 1 28 1 308 2835.00 'NiBr' -3.690 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 28 1 35 1 309 2935.00 'CuBr' -3.429 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 29 1 35 1 310 2952.00 'CuTe' -2.350 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 29 1 52 1 311 2953.00 'CuI' -3.269 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 29 1 53 1 312 3135.00 'GaBr' -4.310 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 31 1 35 1 313 3153.00 'GaI' -3.470 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 31 1 53 1 314 3535.00 'BrBr' -1.971 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 35 2 315 3535.01 'BrBr+' 8.549 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 35 2 99 -1 316 936.01 'KrF +' -1.580 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 9 1 36 1 99 -1 317 3537.00 'RbBr' -3.906 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 35 1 37 1 318 3753.00 'RbI' -3.298 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 37 1 53 1 319 644.00 'RuC' -6.680 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 6 1 44 1 320 1347.00 'AgAl' -1.950 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 13 1 47 1 321 3547.00 'AgBr' -3.100 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 35 1 47 1 322 4753.00 'AgI' -2.604 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 47 1 53 1 323 3549.00 'InBr' -3.990 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 35 1 49 1 324 4953.00 'InI' -3.429 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 49 1 53 1 325 3450.00 'SnSe' -4.203 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 34 1 50 1 326 5052.00 'SnTe' -3.690 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 50 1 52 1 327 3452.00 'TeSe' -2.976 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 34 1 52 1 328 3553.00 'BrI' -1.818 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 35 1 53 1 329 5454.00 'XeXe' -0.023 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 54 2 330 3555.00 'CsBr' -4.170 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 35 1 55 1 331 5355.00 'CsI' -3.560 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 53 1 55 1 332 5555.00 'CsCs' -0.394 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 55 2 333 859.00 'PrO' -7.740 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 8 1 59 1 334 1379.00 'AuAl' -3.340 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 13 1 79 1 335 7979.00 'AuAu' -2.306 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 79 2 336 1880.01 'HgAr+' 10.239 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 3 18 1 80 1 99 -1 337 3581.00 'TlBr' -3.419 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 35 1 81 1 338 5381.00 'TlI' -2.760 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 53 1 81 1 339 3482.00 'PbSe' -3.080 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 34 1 82 1 340 5282.00 'PbTe' -2.550 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 52 1 82 1 341 1783.00 'BiCl' -3.080 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 2 17 1 83 1 342 8383.00 'BiBi' -2.040 3 8.30865403D-01 8.18950425D-01 9.19835713D-02 1 83 2 343 10108.00 'H O H' -9.512 7 1.44518994D+03 -1.18568100D+03 4.02064308D+02 -7.20425879D+01 7.19907707D+00 -3.80370337D-01 8.31134943D-03 2 1 2 8 1 344 10116.00 'H H S' -7.508 6 -5.18205435D+02 3.32214242D+02 -8.40036626D+01 1.05339679D+01 -6.53195766D-01 1.61341873D-02 2 1 2 16 1 345 10508.00 'H B O' -12.597 7 4.70477272D+02 -4.14806051D+02 1.52300994D+02 -2.95321540D+01 3.18505184D+00 -1.80571707D-01 4.20653530D-03 3 1 1 5 1 8 1 346 10516.00 'H B S' -10.311 8 -1.13069217D+04 1.04476408D+04 -4.13597684D+03 9.09899962D+02 -1.20164498D+02 9.52789873D+00 -4.19956922D-01 7.93648498D-03 3 1 1 5 1 16 1 347 10607.00 'H C N' -13.085 6 -2.85770053D+02 1.84409248D+02 -4.63845020D+01 5.72979457D+00 -3.44570055D-01 8.15506909D-03 3 1 1 6 1 7 1 348 10608.00 'H C O' -11.721 7 -1.20108728D+03 8.92872134D+02 -2.73406562D+02 4.43722195D+01 -4.02795796D+00 1.94495953D-01 -3.90847866D-03 3 1 1 6 1 8 1 349 10608.01 'H C O +' -3.594 6 -3.26126103D+02 2.12424279D+02 -5.40857284D+01 6.77795557D+00 -4.15042851D-01 1.00225102D-02 4 1 1 6 1 8 1 99 -1 350 10308.00 'LiO H' -8.836 6 -4.71733676D+01 2.96322056D+01 -7.05414562D+00 8.27197657D-01 -4.25226323D-02 7.59157104D-04 3 1 1 3 1 8 1 351 10104.00 'BeH H' -6.474 7 -1.27699184D+03 9.44609906D+02 -2.87255878D+02 4.60693419D+01 -4.11625899D+00 1.95047775D-01 -3.83843720D-03 2 1 2 4 1 352 40408.00 'BeBeO' -9.854 6 -8.09339165D+01 6.86968088D+01 -2.08861527D+01 3.01757707D+00 -2.05117665D-01 5.38951740D-03 2 4 2 8 1 353 40606.00 'BeC C' -12.265 6 -2.10507576D+02 1.47128191D+02 -3.97440632D+01 5.26931705D+00 -3.39041045D-01 8.56915479D-03 2 4 1 6 2 354 10408.00 'BeO H' -9.289 7 7.34091136D+02 -5.87230091D+02 1.96876555D+02 -3.51894725D+01 3.53301849D+00 -1.88201052D-01 4.15106142D-03 3 1 1 4 1 8 1 355 40909.00 'BeF F' -13.168 6 -2.40175761D+01 2.87046925D+01 -1.01578630D+01 1.62668679D+00 -1.16747186D-01 3.17170431D-03 2 4 1 9 2 356 40917.00 'BeClF' -11.303 5 6.53702365D+01 -2.97944753D+01 5.12679903D+00 -3.39262878D-01 8.48618879D-03 3 4 1 9 1 17 1 357 41717.00 'BeClCl' -9.540 5 6.21377107D+01 -2.92634350D+01 5.21174017D+00 -3.57390875D-01 9.30335307D-03 2 4 1 17 2 358 10105.00 'B H H' -8.141 6 -4.07663626D+02 2.66192496D+02 -6.82832064D+01 8.62545764D+00 -5.33983133D-01 1.30609529D-02 2 1 2 5 1 359 50808.00 'B O O' -13.824 6 -1.98277121D+02 1.47065224D+02 -4.19982578D+01 5.88550109D+00 -4.00542908D-01 1.07182026D-02 2 5 1 8 2 360 10106.00 'C H H' -7.849 6 -4.68417464D+02 2.96321980D+02 -7.37339560D+01 9.07001904D+00 -5.48979569D-01 1.31635850D-02 2 1 2 6 1 361 10609.00 'C H F' -9.113 8 -9.03881124D+03 7.51668190D+03 -2.64144640D+03 5.07208371D+02 -5.72191444D+01 3.76699425D+00 -1.32505635D-01 1.88249213D-03 3 1 1 6 1 9 1 362 10615.00 'C H P' -11.313 8 -9.16072981D+03 8.58253626D+03 -3.44472145D+03 7.68250206D+02 -1.02830696D+02 8.26119222D+00 -3.68781613D-01 7.05522737D-03 3 1 1 6 1 15 1 363 10617.00 'C H Cl' -7.384 8 5.18366166D+03 -5.69443795D+03 2.58242664D+03 -6.32234492D+02 9.08097169D+01 -7.68446705D+00 3.55877464D-01 -6.97544853D-03 3 1 1 6 1 17 1 364 10606.00 'C C H' -12.069 8 -1.51497478D+04 1.34640092D+04 -5.11112969D+03 1.07446051D+03 -1.35064827D+02 1.01507026D+01 -4.22168342D-01 7.49290389D-03 2 1 1 6 2 365 60606.00 'C C C' -13.703 6 -2.20143669D+02 1.38406255D+02 -3.37781803D+01 4.10749144D+00 -2.45818240D-01 5.85945485D-03 1 6 3 366 60608.00 'C C O' -14.371 7 1.22917291D+03 -9.86332239D+02 3.30559195D+02 -5.89326335D+01 5.89088258D+00 -3.12178087D-01 6.84468887D-03 2 6 2 8 1 367 60607.00 'C N C' -13.902 6 -2.11895066D+01 2.86607603D+01 -1.05232649D+01 1.72396105D+00 -1.26193390D-01 3.49351008D-03 2 6 2 7 1 368 60808.00 'C O O' -16.561 6 -2.40560030D+02 1.67607692D+02 -4.51933052D+01 5.97099488D+00 -3.83714796D-01 9.71180362D-03 2 6 1 8 2 369 60816.00 'C O S' -14.212 6 -1.39454545D+02 1.04566435D+02 -2.96186748D+01 4.08671001D+00 -2.71414302D-01 7.07005074D-03 3 6 1 8 1 16 1 370 61616.00 'C S S' -11.862 6 -2.99995224D+01 3.45740725D+01 -1.20502894D+01 1.91750865D+00 -1.38782255D-01 3.84558964D-03 2 6 1 16 2 371 10107.00 'N H H' -7.355 7 -3.59808755D+03 2.80932328D+03 -9.13438792D+02 1.58477333D+02 -1.54725955D+01 8.06185761D-01 -1.75051888D-02 2 1 2 7 1 372 50809.00 'O B F' -15.354 6 -1.19538530D+02 9.18022217D+01 -2.63524433D+01 3.65865126D+00 -2.42513590D-01 6.25931080D-03 3 5 1 8 1 9 1 373 10813.00 'O AlH' -7.800 6 -1.36507393D+02 1.07854238D+02 -3.15149345D+01 4.40806257D+00 -2.94125011D-01 7.63781772D-03 3 1 1 8 1 13 1 374 80913.00 'O AlF' -12.753 5 8.60181447D+01 -3.96516959D+01 6.81942991D+00 -4.69629064D-01 1.22795807D-02 3 8 1 9 1 13 1 375 81317.00 'O AlCl' -10.777 5 8.02381092D+01 -3.76782369D+01 6.66533607D+00 -4.69976191D-01 1.25966660D-02 3 8 1 13 1 17 1 376 80922.00 'O TiF' -12.706 5 8.15284601D+01 -3.77219164D+01 6.59124570D+00 -4.58852355D-01 1.21362329D-02 3 8 1 9 1 22 1 377 81722.00 'O TiCl' -11.193 5 7.07420619D+01 -3.31830699D+01 5.96545353D+00 -4.20786685D-01 1.12826993D-02 3 8 1 17 1 22 1 378 60711.00 'NaC N' -12.391 6 -1.16008802D+02 8.05274903D+01 -2.15886739D+01 2.88534320D+00 -1.85930360D-01 4.68991179D-03 3 6 1 7 1 11 1 379 10811.00 'NaO H' -7.923 7 7.81064091D+02 -6.13125481D+02 2.00421069D+02 -3.47994938D+01 3.39196441D+00 -1.75540576D-01 3.76549119D-03 3 1 1 8 1 11 1 380 10812.00 'MgO H' -7.981 7 1.17173619D+03 -9.21419630D+02 3.02782848D+02 -5.30262224D+01 5.22138423D+00 -2.73491012D-01 5.94891216D-03 3 1 1 8 1 12 1 381 90912.00 'MgF F' -10.628 5 5.73118214D+01 -2.65386943D+01 4.79600678D+00 -3.34414004D-01 8.85995790D-03 2 9 2 12 1 382 91217.00 'MgClF' -9.433 5 5.55782085D+01 -2.60075368D+01 4.80608672D+00 -3.41894808D-01 9.24634161D-03 3 9 1 12 1 17 1 383 121717.00 'MgClCl' -8.060 5 4.26764228D+01 -2.15102674D+01 4.25262196D+00 -3.08039234D-01 8.48127401D-03 2 12 1 17 2 384 123535.00 'MgBrBr' -6.946 5 3.38685984D+01 -1.71436535D+01 3.58071847D+00 -2.61399719D-01 7.25155481D-03 2 12 1 35 2 385 10813.00 'AlO H' -10.010 6 -2.64188064D+02 1.76773530D+02 -4.56255584D+01 5.76054134D+00 -3.53353898D-01 8.51888820D-03 3 1 1 8 1 13 1 386 10813.01 'AlO H +' -2.573 6 -1.87613688D+02 1.28942087D+02 -3.36411893D+01 4.27814725D+00 -2.62374673D-01 6.29595240D-03 4 1 1 8 1 13 1 99 -1 387 90913.00 'AlF F' -12.174 6 -1.28755569D+02 9.95832407D+01 -2.89634692D+01 4.15760564D+00 -2.88861297D-01 7.87260858D-03 2 9 2 13 1 388 81313.00 'AlAlO' -10.840 7 5.31248324D+02 -4.08271708D+02 1.32441652D+02 -2.30864541D+01 2.28981870D+00 -1.21889669D-01 2.71174075D-03 2 8 1 13 2 389 91317.00 'AlClF' -10.492 6 -1.09417311D+02 8.58921819D+01 -2.50656853D+01 3.63295013D+00 -2.54641380D-01 6.99676753D-03 3 9 1 13 1 17 1 390 131717.00 'AlClCl' -8.767 7 6.50260176D+02 -5.03850575D+02 1.65007486D+02 -2.89398280D+01 2.87840793D+00 -1.53457504D-01 3.41918496D-03 2 13 1 17 2 391 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2 16 1 83 1 41 507.00 'B N ' -3.993 6 -4.60212507D+02 3.04536860D+02 -7.94805938D+01 1.03436788D+01 -6.69311191D-01 1.72678003D-02 2 5 1 7 1 42 508.00 'B O ' -8.342 6 -7.08347604D+02 4.65324277D+02 -1.21261421D+02 1.57646334D+01 -1.02077229D+00 2.63783970D-02 2 5 1 8 1 43 1735.00 'BrCl ' -2.233 6 3.79328264D+03 -2.40806058D+03 6.09957366D+02 -7.69270734D+01 4.83227394D+00 -1.20885274D-01 2 17 1 35 1 44 935.00 'BrF ' -2.548 6 3.24505950D+03 -2.04319356D+03 5.13092621D+02 -6.41244911D+01 3.98953218D+00 -9.87793594D-02 2 9 1 35 1 45 835.00 'BrO ' -2.397 6 6.34712267D+02 -3.96216182D+02 9.90469715D+01 -1.22982757D+01 7.61620821D-01 -1.87974983D-02 2 8 1 35 1 46 1635.00 'B S ' -6.010 6 2.73935261D+02 -1.48555285D+02 3.14489544D+01 -3.11901104D+00 1.39794564D-01 -1.96726279D-03 2 5 1 16 1 47 606.00 'C C ' -6.210 6 -1.37611619D+02 7.52473987D+01 -1.60701760D+01 1.72410801D+00 -9.08948951D-02 1.90678635D-03 1 6 2 48 1720.00 'CaCl ' -4.090 6 7.88672755D+02 -4.82733528D+02 1.17966379D+02 -1.42531594D+01 8.53090757D-01 -2.01777839D-02 2 17 1 20 1 49 920.00 'CaF ' -5.480 6 2.76485391D+02 -1.50108861D+02 3.17460328D+01 -3.12183606D+00 1.37079062D-01 -1.81785042D-03 2 9 1 20 1 50 120.00 'CaH ' -1.700 6 1.57677958D+03 -9.82846806D+02 2.44267425D+02 -3.01777064D+01 1.85392515D+00 -4.52292569D-02 2 1 1 20 1 51 820.00 'CaO ' -4.125 6 -1.30390632D+03 7.23951505D+02 -1.55440238D+02 1.60223680D+01 -7.76697112D-01 1.36819036D-02 2 8 1 20 1 52 1620.00 'CaS ' -3.460 6 3.71422134D+02 -2.24008823D+02 5.41194721D+01 -6.43959587D+00 3.79360507D-01 -8.81177201D-03 2 16 1 20 1 53 635.00 'C Br ' -4.110 6 3.12332572D+01 -1.48093572D+01 3.17534594D+00 -3.02992923D-01 1.45597120D-02 -2.81037541D-04 2 6 1 35 1 54 617.00 'C Cl ' -4.076 6 1.68536440D+02 -9.72918943D+01 2.27169520D+01 -2.58767780D+00 1.45501384D-01 -3.19457863D-03 2 6 1 17 1 55 1748.00 'CdCl ' -2.120 6 2.33227608D+02 -1.43426680D+02 3.58011711D+01 -4.41016354D+00 2.71203368D-01 -6.64529274D-03 2 17 1 48 1 56 948.00 'CdF ' -3.200 6 3.11218174D+01 -1.45069486D+01 3.05309328D+00 -2.83962280D-01 1.32235343D-02 -2.45463169D-04 2 9 1 48 1 57 148.00 'CdH ' -0.678 6 -7.69855100D+02 4.99859510D+02 -1.29092701D+02 1.66403778D+01 -1.06870370D+00 2.74029389D-02 2 1 1 48 1 58 609.00 'C F ' -5.670 6 -2.77220301D+02 1.90664079D+02 -5.13519901D+01 6.89099220D+00 -4.58668166D-01 1.21593204D-02 2 6 1 9 1 59 106.00 'C H ' -3.465 6 -4.91887806D+02 3.09155097D+02 -7.70038741D+01 9.57241011D+00 -5.93380866D-01 1.47420199D-02 2 1 1 6 1 60 1717.00 'ClCl ' -2.479 6 2.44587016D+02 -1.46579305D+02 3.52869947D+01 -4.18202638D+00 2.46251752D-01 -5.73458881D-03 1 17 2 61 917.00 'ClF ' -2.617 6 3.52825949D+03 -2.22577023D+03 5.60080739D+02 -7.01656946D+01 4.37736958D+00 -1.08722396D-01 2 9 1 17 1 62 817.00 'ClO ' -2.750 6 -1.30242191D+02 9.46868339D+01 -2.66515108D+01 3.75835753D+00 -2.61951932D-01 7.25361450D-03 2 8 1 17 1 63 607.00 'C N ' -7.760 6 6.81165938D+02 -4.46981105D+02 1.17584738D+02 -1.53931948D+01 1.00366669D+00 -2.60084236D-02 2 6 1 7 1 65 127.00 'CoH ' -2.304 6 2.56056297D+02 -1.89434834D+02 5.58018319D+01 -8.08201480D+00 5.78455560D-01 -1.63250794D-02 2 1 1 27 1 66 615.00 'C P ' -5.280 6 -2.36341487D+02 1.28447316D+02 -2.60423915D+01 2.44771648D+00 -9.86209711D-02 1.08857579D-03 2 6 1 15 1 67 124.00 'CrH ' -1.930 6 1.24735385D+03 -7.96682715D+02 2.03572365D+02 -2.59209601D+01 1.64580610D+00 -4.16220155D-02 2 1 1 24 1 68 824.00 'CrO ' -4.740 6 4.16989076D+02 -2.47018318D+02 5.87920352D+01 -6.90094799D+00 4.00782326D-01 -9.16040085D-03 2 8 1 24 1 69 1624.00 'CrS ' -3.370 6 2.45730558D+02 -1.47309265D+02 3.60578039D+01 -4.36312934D+00 2.63527549D-01 -6.33223826D-03 2 16 1 24 1 70 616.00 'C S ' -7.355 6 -1.79810303D+03 1.17203419D+03 -3.04374910D+02 3.94548125D+01 -2.55058178D+00 6.58197035D-02 2 6 1 16 1 71 1755.00 'CsCl ' -4.580 6 6.97878689D+02 -4.64208753D+02 1.23814539D+02 -1.64024814D+01 1.08285537D+00 -2.84701701D-02 2 17 1 55 1 72 634.00 'C Se ' -5.980 6 -7.70089553D+02 5.14045346D+02 -1.36287980D+02 1.80381771D+01 -1.18932284D+00 3.12876604D-02 2 6 1 34 1 73 955.00 'CsF ' -5.150 6 1.01870542D+03 -6.54097552D+02 1.68105019D+02 -2.14996197D+01 1.37132722D+00 -3.48664422D-02 2 9 1 55 1 74 155.00 'CsH ' -1.779 6 6.73858069D+02 -4.49997342D+02 1.20218866D+02 -1.59941206D+01 1.06189146D+00 -2.80930818D-02 2 1 1 55 1 75 2929.00 'CuCu ' -2.030 6 3.72985149D+02 -2.31944518D+02 5.76799281D+01 -7.05293395D+00 4.26021832D-01 -1.01137940D-02 1 29 2 76 1729.00 'CuCl ' -3.930 6 7.57442675D+02 -4.47645100D+02 1.04796222D+02 -1.20097496D+01 6.72454917D-01 -1.45712629D-02 2 17 1 29 1 77 929.00 'CuF ' -4.420 6 7.96170365D+02 -4.86911048D+02 1.18758326D+02 -1.43392357D+01 8.58550544D-01 -2.03343112D-02 2 9 1 29 1 78 129.00 'CuH ' -2.730 6 7.89625905D+01 -2.38848304D+01 -7.09165590D-01 1.00974482D+00 -1.24798210D-01 4.81677000D-03 2 1 1 29 1 79 829.00 'CuO ' -2.790 6 7.74946313D+02 -4.80278363D+02 1.18880633D+02 -1.45774088D+01 8.87713669D-01 -2.14335593D-02 2 8 1 29 1 80 1629.00 'CuS ' -2.800 6 3.93095958D+02 -2.45801592D+02 6.17126328D+01 -7.65601883D+00 4.72758258D-01 -1.16114751D-02 2 16 1 29 1 81 2934.00 'CuSe ' -2.550 6 6.32697804D+02 -3.89286400D+02 9.61082999D+01 -1.17833688D+01 7.21217039D-01 -1.76199866D-02 2 29 1 34 1 82 909.00 'F F ' -1.602 6 9.42288700D+02 -6.04882920D+02 1.55379033D+02 -1.98952788D+01 1.27202590D+00 -3.24438275D-02 1 9 2 83 1726.00 'FeCl ' -3.610 6 5.07474373D+02 -3.24338453D+02 8.35477388D+01 -1.07024601D+01 6.85004104D-01 -1.75025911D-02 2 17 1 26 1 84 926.00 'FeF ' -4.910 6 4.08896025D+02 -2.65410932D+02 6.96433907D+01 -9.10257383D+00 5.95463974D-01 -1.55637879D-02 2 9 1 26 1 85 826.00 'FeO ' -4.000 6 -2.09049459D+00 1.14217348D+01 -4.41012534D+00 7.55706607D-01 -5.84076087D-02 1.73958680D-03 2 8 1 26 1 86 809.00 'F O ' -2.230 6 -1.73235305D+02 1.19285713D+02 -3.18493633D+01 4.23971939D+00 -2.78900731D-01 7.28918887D-03 2 8 1 9 1 87 1731.00 'GaCl ' -4.920 6 -1.36053188D+02 1.06906087D+02 -3.20670288D+01 4.77176471D+00 -3.48871159D-01 1.00817771D-02 2 17 1 31 1 88 931.00 'GaF ' -5.980 6 -1.12166730D+02 8.60660415D+01 -2.52269714D+01 3.67328886D+00 -2.62751665D-01 7.43860124D-03 2 9 1 31 1 89 131.00 'GaH ' -2.840 6 2.18868854D+03 -1.37117119D+03 3.42466279D+02 -4.25635407D+01 2.63280098D+00 -6.47595872D-02 2 1 1 31 1 90 831.00 'GaO ' -3.620 6 2.74421086D+02 -1.67943013D+02 4.16123322D+01 -5.11806262D+00 3.15020533D-01 -7.73742596D-03 2 8 1 31 1 91 1732.00 'GeCl ' -4.400 6 1.71120524D+02 -9.84523869D+01 2.27792146D+01 -2.54283004D+00 1.39278014D-01 -2.97401752D-03 2 17 1 32 1 92 932.00 'GeF ' -5.000 6 -1.45202854D+02 1.09248993D+02 -3.17359569D+01 4.58854944D+00 -3.26204717D-01 9.16395829D-03 2 9 1 32 1 93 132.00 'GeH ' -3.300 6 6.85211366D+02 -4.31578130D+02 1.08999431D+02 -1.37205518D+01 8.62115836D-01 -2.15794142D-02 2 1 1 32 1 94 832.00 'GeO ' -6.780 6 -1.32670715D+03 8.78171800D+02 -2.31464594D+02 3.04665562D+01 -2.00005448D+00 5.24223949D-02 2 8 1 32 1 95 1632.00 'GeS ' -5.670 6 -8.65405635D+01 6.26204885D+01 -1.72101186D+01 2.37513396D+00 -1.61223778D-01 4.33651598D-03 2 16 1 32 1 96 3234.00 'GeSe ' -4.980 6 1.58111187D+02 -9.29911682D+01 2.22786708D+01 -2.60681586D+00 1.51386309D-01 -3.46850129D-03 2 32 1 34 1 97 3252.00 'GeTe ' -4.240 6 1.31710801D+01 -5.19977130D-01 -1.23869340D+00 3.82535204D-01 -3.83769176D-02 1.34115383D-03 2 32 1 52 1 100 135.00 'H Br ' -3.758 6 -3.66520007D+02 2.35828543D+02 -6.01774749D+01 7.66237609D+00 -4.85621531D-01 1.23016179D-02 2 1 1 35 1 101 117.00 'H Cl ' -4.434 6 -4.01003717D+02 2.54437829D+02 -6.40921062D+01 8.05744240D+00 -5.04425532D-01 1.26253447D-02 2 1 1 17 1 102 109.00 'H F ' -5.869 6 -3.60544650D+02 2.22384130D+02 -5.45664753D+01 6.69351087D+00 -4.09637436D-01 1.00497602D-02 2 1 1 9 1 103 872.00 'HfO ' -8.268 6 -1.14968290D+02 1.03459666D+02 -3.37625877D+01 5.29990701D+00 -4.02117437D-01 1.19387593D-02 2 8 1 72 1 104 1780.00 'HgCl ' -1.040 6 4.96052499D+01 -4.34037416D+01 1.50357595D+01 -2.40480713D+00 1.86468644D-01 -5.62786569D-03 2 17 1 80 1 105 980.00 'HgF ' -1.800 6 2.76109511D+02 -1.84903931D+02 5.01534931D+01 -6.75215721D+00 4.54549335D-01 -1.22091246D-02 2 9 1 80 1 106 180.00 'HgH ' -0.374 6 -9.09500720D+02 5.78561340D+02 -1.45924123D+02 1.82869670D+01 -1.13576163D+00 2.79828012D-02 2 1 1 80 1 107 153.00 'H I ' -3.054 6 -1.72489008D+02 1.15725171D+02 -3.05171064D+01 4.01293337D+00 -2.61821312D-01 6.83027947D-03 2 1 1 53 1 108 967.00 'HoF ' -5.570 6 -3.19679830D+01 3.06343023D+01 -9.68671093D+00 1.50218276D+00 -1.11512672D-01 3.23371044D-03 2 9 1 67 1 109 5353.00 'I I ' -1.542 6 7.98103765D+02 -5.14559207D+02 1.33037486D+02 -1.71019720D+01 1.09647734D+00 -2.80254905D-02 1 53 2 110 1753.00 'I Cl ' -2.153 6 5.53836884D+03 -3.56990843D+03 9.18322203D+02 -1.17694478D+02 7.51645281D+00 -1.91279842D-01 2 17 1 53 1 111 953.00 'I F ' -2.879 6 5.21089943D+03 -3.29173925D+03 8.29177519D+02 -1.03980182D+02 6.49185792D+00 -1.61340450D-01 2 9 1 53 1 112 1749.00 'InCl ' -4.440 6 4.88679193D+01 -1.14101870D+01 -1.85656452D+00 9.32365308D-01 -1.06012241D-01 3.96654251D-03 2 17 1 49 1 113 949.00 'InF ' -5.250 6 -3.29393397D+02 2.28268889D+02 -6.24352440D+01 8.54456980D+00 -5.81729535D-01 1.57950213D-02 2 9 1 49 1 114 149.00 'InH ' -2.480 6 2.72748144D+03 -1.72307844D+03 4.34194462D+02 -5.44867395D+01 3.40564836D+00 -8.47417121D-02 2 1 1 49 1 115 849.00 'InO ' -2.940 6 7.11704860D+01 -3.73011943D+01 8.15175356D+00 -8.43593181D-01 4.28556116D-02 -8.32440311D-04 2 8 1 49 1 116 853.00 'I O ' -1.800 6 3.05442925D+02 -1.68705732D+02 3.70356631D+01 -3.94347141D+00 2.04150025D-01 -4.03413381D-03 2 8 1 53 1 117 677.00 'IrC ' -6.450 6 1.27496193D+02 -6.31164982D+01 1.23102863D+01 -1.09245760D+00 4.17859926D-02 -3.69973471D-04 2 6 1 77 1 118 877.00 'IrO ' -4.250 6 -1.43049161D+02 1.08002734D+02 -3.10382451D+01 4.42510994D+00 -3.10614323D-01 8.64101502D-03 2 8 1 77 1 119 1919.00 'K K ' -0.514 6 -3.01381219D+02 2.06544418D+02 -5.53288558D+01 7.39331972D+00 -4.88834868D-01 1.28245612D-02 1 19 2 120 1935.00 'K Br ' -3.910 6 3.46486091D+02 -2.44917557D+02 6.93348009D+01 -9.67192715D+00 6.69506076D-01 -1.83777207D-02 2 19 1 35 1 121 1719.00 'K Cl ' -4.340 6 5.90389124D+02 -3.96835432D+02 1.06931548D+02 -1.43031607D+01 9.53274275D-01 -2.52933787D-02 2 17 1 19 1 122 919.00 'K F ' -5.070 6 1.12796189D+03 -7.24220164D+02 1.86020132D+02 -2.37860090D+01 1.51691227D+00 -3.85626195D-02 2 9 1 19 1 123 119.00 'K H ' -1.771 6 1.20857088D+03 -7.86554143D+02 2.04602596D+02 -2.65299279D+01 1.71666180D+00 -4.42900935D-02 2 1 1 19 1 124 1953.00 'K I ' -3.310 6 6.13108313D+02 -4.13102121D+02 1.11624848D+02 -1.49616162D+01 9.98569657D-01 -2.65206945D-02 2 19 1 53 1 125 819.00 'K O ' -2.841 6 2.90445463D+01 -1.44626798D+01 3.26653698D+00 -3.29406270D-01 1.68428810D-02 -3.48628848D-04 2 8 1 19 1 126 957.00 'LaF ' -6.159 6 3.00284423D+01 -1.40126184D+01 2.88627485D+00 -2.59741801D-01 1.15840794D-02 -2.02773922D-04 2 9 1 57 1 127 157.00 'LaH ' 0.000 6 -8.33387200D+00 1.07567870D+01 -3.59988369D+00 5.62155743D-01 -3.94663893D-02 1.04944398D-03 2 1 1 57 1 128 857.00 'LaO ' -8.230 6 9.71248500D+02 -6.30968346D+02 1.64063270D+02 -2.12122620D+01 1.36533718D+00 -3.49340335D-02 2 8 1 57 1 129 1657.00 'LaS ' -5.910 6 1.64431687D+02 -9.39688678D+01 2.17483873D+01 -2.42868862D+00 1.32145410D-01 -2.75345641D-03 2 16 1 57 1 130 303.00 'LiLi ' -1.046 6 2.19814330D+02 -1.54379493D+02 4.32123173D+01 -5.94554753D+00 4.05644390D-01 -1.09355620D-02 1 3 2 131 317.00 'LiCl ' -4.840 6 9.34861947D+02 -5.89620966D+02 1.48686004D+02 -1.86547942D+01 1.16689047D+00 -2.90749344D-02 2 3 1 17 1 132 309.00 'LiF ' -5.910 6 6.31965811D+02 -3.90111314D+02 9.62650844D+01 -1.17988977D+01 7.20225906D-01 -1.74741316D-02 2 3 1 9 1 133 103.00 'LiH ' -2.429 6 1.16847570D+03 -7.42824450D+02 1.88651790D+02 -2.38793365D+01 1.50799540D+00 -3.79542978D-02 2 1 1 3 1 134 311.00 'LiNa ' -0.876 6 -1.11728024D+03 6.85732726D+02 -1.66532733D+02 2.00727998D+01 -1.19654327D+00 2.82069198D-02 2 3 1 11 1 135 308.00 'LiO ' -3.414 6 7.36612650D+01 -4.86071431D+01 1.37346702D+01 -1.94038973D+00 1.39400983D-01 -4.00211688D-03 2 3 1 8 1 136 971.00 'LuF ' -3.938 6 2.55125457D+02 -1.29586516D+02 2.45672300D+01 -1.94467485D+00 4.44544944D-02 1.01386961D-03 2 9 1 71 1 137 171.00 'LuH ' 0.000 6 4.31888263D+02 -2.65954437D+02 6.55907693D+01 -8.04754196D+00 4.92780558D-01 -1.20027932D-02 2 1 1 71 1 138 871.00 'LuO ' -6.950 6 -2.76531733D+02 2.00114349D+02 -5.65068496D+01 7.93479597D+00 -5.51569816D-01 1.52329462D-02 2 8 1 71 1 139 1212.00 'MgMg ' -0.050 6 -3.03421501D+02 1.92241382D+02 -4.79568974D+01 6.05128655D+00 -3.83363366D-01 9.74026312D-03 1 12 2 140 1217.00 'MgCl ' -3.290 6 3.84734047D+02 -2.33918027D+02 5.70954545D+01 -6.87937637D+00 4.11401993D-01 -9.73314825D-03 2 12 1 17 1 141 912.00 'MgF ' -4.750 6 3.23778267D+02 -1.95052428D+02 4.72313567D+01 -5.64960652D+00 3.35847402D-01 -7.90106808D-03 2 9 1 12 1 142 112.00 'MgH ' -1.285 6 6.53454485D+02 -4.13828321D+02 1.04888640D+02 -1.32317730D+01 8.31982710D-01 -2.07967780D-02 2 1 1 12 1 143 812.00 'MgO ' -3.722 6 1.48821203D+03 -8.78159016D+02 2.05828331D+02 -2.39126315D+01 1.38158603D+00 -3.17643570D-02 2 8 1 12 1 144 1216.00 'MgS ' -2.400 6 3.78253968D+02 -2.30336455D+02 5.62500232D+01 -6.78793020D+00 4.07034238D-01 -9.66911438D-03 2 12 1 16 1 145 1725.00 'MnCl ' -3.700 6 3.06406543D+01 -1.44358448D+01 3.26235232D+00 -3.29108080D-01 1.68346897D-02 -3.48628848D-04 2 17 1 25 1 146 925.00 'MnF ' -4.350 6 -7.23273714D+01 5.66318187D+01 -1.62929455D+01 2.33833238D+00 -1.64191005D-01 4.55351965D-03 2 9 1 25 1 147 125.00 'MnH ' -2.500 6 9.67054906D+02 -6.08680009D+02 1.53367261D+02 -1.92448529D+01 1.20389949D+00 -2.99785235D-02 2 1 1 25 1 148 125.00 'MnH ' -2.600 6 9.59967605D+02 -6.02418743D+02 1.51345035D+02 -1.89281458D+01 1.18022409D+00 -2.93026104D-02 2 1 1 25 1 149 825.00 'MnO ' -4.134 6 6.64564920D+01 -2.76223352D+01 4.05379363D+00 -1.06411532D-01 -1.84411091D-02 1.11347785D-03 2 8 1 25 1 150 1625.00 'MnS ' -2.850 6 1.78671727D+01 1.70043472D+00 -3.01216580D+00 7.58319016D-01 -7.18198984D-02 2.43684450D-03 2 16 1 25 1 151 707.00 'N N ' -9.759 6 -1.83944288D+02 1.17170526D+02 -2.91971210D+01 3.61363588D+00 -2.20561071D-01 5.34327071D-03 1 7 2 152 1111.00 'NaNa ' -0.720 6 7.74292098D+02 -4.89349024D+02 1.23940286D+02 -1.56127074D+01 9.81009696D-01 -2.45498743D-02 1 11 2 153 1117.00 'NaCl ' -4.230 6 8.14850876D+02 -5.35278462D+02 1.40832822D+02 -1.84332354D+01 1.20338390D+00 -3.13125625D-02 2 11 1 17 1 154 911.00 'NaF ' -5.330 6 1.18609990D+03 -7.54236867D+02 1.91738455D+02 -2.42614972D+01 1.53056058D+00 -3.84736836D-02 2 9 1 11 1 155 111.00 'NaH ' -1.899 6 1.24916579D+03 -8.00071157D+02 2.04673899D+02 -2.60857793D+01 1.65781192D+00 -4.19670869D-02 2 1 1 11 1 156 811.00 'NaO ' -2.616 6 3.14078460D+01 -1.46394684D+01 3.09645243D+00 -2.90152349D-01 1.36374937D-02 -2.56135480D-04 2 8 1 11 1 157 741.00 'NbN ' 0.000 6 5.00310626D+00 4.18442632D+00 -1.94864625D+00 3.58736417D-01 -2.70891615D-02 7.50619254D-04 2 7 1 41 1 158 841.00 'NbO ' -7.934 6 -4.23359437D+01 3.49552535D+01 -1.00004104D+01 1.41348895D+00 -9.62911000D-02 2.57202711D-03 2 8 1 41 1 159 717.00 'N Cl ' -3.422 6 9.23273003D+01 -4.94539505D+01 1.08675086D+01 -1.14191452D+00 5.86941622D-02 -1.14905222D-03 2 7 1 17 1 160 709.00 'N F ' -3.500 6 1.14612002D+02 -6.00661854D+01 1.25402932D+01 -1.21606715D+00 5.35464694D-02 -7.29274631D-04 2 7 1 9 1 161 107.00 'N H ' -3.420 6 -2.70001339D+02 1.77303226D+02 -4.62157841D+01 6.04541228D+00 -3.95886800D-01 1.04339634D-02 2 1 1 7 1 162 928.00 'NiF ' -4.470 6 2.44247466D+01 -9.42300427D+00 1.57333005D+00 -8.42082206D-02 2.80310352D-04 8.18210562D-05 2 9 1 28 1 163 128.00 'NiH ' -3.070 6 1.41051387D+03 -8.78947004D+02 2.18299375D+02 -2.69515102D+01 1.65532291D+00 -4.03982571D-02 2 1 1 28 1 164 828.00 'NiO ' -3.913 6 2.91680460D+01 -1.32027122D+01 2.63253968D+00 -2.24179138D-01 9.22738782D-03 -1.42297489D-04 2 8 1 28 1 165 708.00 'N O ' -6.497 6 -1.76124434D+02 1.15361496D+02 -2.93341581D+01 3.71733745D+00 -2.32828000D-01 5.79862268D-03 2 7 1 8 1 166 716.00 'N S ' -4.800 6 -3.44726976D+02 2.27863662D+02 -5.93820161D+01 7.73584077D+00 -5.01067667D-01 1.29383992D-02 2 7 1 16 1 167 734.00 'N Se ' -4.000 6 2.28119820D+02 -1.11822624D+02 1.99546839D+01 -1.36297334D+00 9.45973111D-03 1.80006324D-03 2 7 1 34 1 168 808.00 'O O ' -5.116 6 -3.64082520D+02 2.38093723D+02 -6.15516689D+01 7.95529975D+00 -5.12522875D-01 1.32194367D-02 1 8 2 169 108.00 'O H ' -4.392 6 -4.56875469D+02 2.87960316D+02 -7.20525364D+01 9.01193168D+00 -5.62538083D-01 1.40661068D-02 2 1 1 8 1 170 1515.00 'P P ' -5.033 6 -5.55985750D+02 3.93086152D+02 -1.09885684D+02 1.52960793D+01 -1.05766046D+00 2.91105088D-02 1 15 2 171 1782.00 'PbCl ' -3.100 6 4.72025672D+02 -3.01553486D+02 7.75041914D+01 -9.87172195D+00 6.26093427D-01 -1.57879064D-02 2 17 1 82 1 172 982.00 'PbF ' -3.640 6 4.00180296D+02 -2.50000150D+02 6.27671675D+01 -7.79325331D+00 4.80707404D-01 -1.17395428D-02 2 9 1 82 1 173 182.00 'PbH ' -1.590 6 3.05154365D+03 -1.93461782D+03 4.89548022D+02 -6.17112242D+01 3.87580193D+00 -9.69437218D-02 2 1 1 82 1 174 882.00 'PbO ' -3.917 6 9.33376895D+02 -5.60027901D+02 1.33468892D+02 -1.56729449D+01 9.06327791D-01 -2.05335277D-02 2 8 1 82 1 175 1682.00 'PbS ' -3.490 6 1.67836966D+03 -1.03480797D+03 2.54089223D+02 -3.09189566D+01 1.86514411D+00 -4.45319992D-02 2 16 1 82 1 176 1517.00 'P Cl ' -2.957 6 4.57666082D+02 -2.85936583D+02 7.19753335D+01 -9.00141590D+00 5.62085571D-01 -1.39949580D-02 2 15 1 17 1 177 146.00 'PdH ' -2.387 6 -1.36042226D+02 8.83095536D+01 -2.22657504D+01 2.78278896D+00 -1.70617622D-01 4.13374206D-03 2 1 1 46 1 178 915.00 'P F ' -4.511 6 -2.13280175D+02 1.43823318D+02 -3.79864688D+01 5.03613270D+00 -3.32694461D-01 8.80465713D-03 2 9 1 15 1 179 115.00 'P H ' -3.020 6 3.24413822D+02 -2.06388488D+02 5.28263267D+01 -6.72164804D+00 4.25910894D-01 -1.06865414D-02 2 1 1 15 1 180 715.00 'P N ' -6.360 6 -1.80092444D+02 1.21819219D+02 -3.20743558D+01 4.20255276D+00 -2.71872225D-01 6.98324927D-03 2 7 1 15 1 181 815.00 'P O ' -6.177 6 -4.30479960D+02 2.85012921D+02 -7.43408889D+01 9.67041111D+00 -6.25090462D-01 1.60974034D-02 2 8 1 15 1 182 1516.00 'P S ' -4.540 6 -2.66663948D+02 1.79625207D+02 -4.76265055D+01 6.33761155D+00 -4.19577581D-01 1.10743021D-02 2 15 1 16 1 183 678.00 'PtC ' -6.280 6 1.19477535D+03 -7.40854571D+02 1.83257343D+02 -2.25016730D+01 1.37235330D+00 -3.31873319D-02 2 6 1 78 1 184 178.00 'PtH ' -3.440 6 3.23501584D+02 -1.81177881D+02 4.00401883D+01 -4.26779799D+00 2.16673928D-01 -4.01278919D-03 2 1 1 78 1 185 878.00 'PtO ' -4.013 6 7.14478371D+00 1.18212415D+01 -6.72785548D+00 1.36598679D+00 -1.18959703D-01 3.85981939D-03 2 8 1 78 1 186 1737.00 'RbCl ' -4.340 6 3.25827811D+02 -2.31155165D+02 6.56761051D+01 -9.18937944D+00 6.37909707D-01 -1.75559527D-02 2 17 1 37 1 187 937.00 'RbF ' -5.000 6 1.09035811D+03 -7.01809916D+02 1.80766656D+02 -2.31763334D+01 1.48203638D+00 -3.77799833D-02 2 9 1 37 1 188 137.00 'RbH ' -1.750 6 8.76306712D+02 -5.81407761D+02 1.54217675D+02 -2.03769490D+01 1.34323042D+00 -3.52826624D-02 2 1 1 37 1 189 837.00 'RbO ' -2.604 6 3.07871281D+01 -1.49016961D+01 3.29584007D+00 -3.26137663D-01 1.63386182D-02 -3.30841662D-04 2 8 1 37 1 190 645.00 'RhC ' -6.010 6 8.04602857D+02 -5.11308110D+02 1.30152220D+02 -1.64758760D+01 1.03875903D+00 -2.60368830D-02 2 6 1 45 1 191 844.00 'RuO ' -5.435 6 1.78373429D+01 -4.13090272D+00 1.74705371D-01 9.41222974D-02 -1.08470471D-02 3.55743722D-04 2 8 1 44 1 192 1616.00 'S S ' -4.369 6 -3.44273045D+02 2.20657776D+02 -5.55640542D+01 6.97680131D+00 -4.34308969D-01 1.07576902D-02 1 16 2 193 5151.00 'SbSb ' -3.090 6 1.19414699D+02 -7.10205600D+01 1.73485044D+01 -2.06015444D+00 1.21778009D-01 -2.85306465D-03 1 51 2 194 1751.00 'SbCl ' -3.693 6 1.22881502D+02 -7.48475713D+01 1.83438365D+01 -2.15944431D+00 1.25694646D-01 -2.89575390D-03 2 17 1 51 1 195 951.00 'SbF ' -4.400 6 6.24179176D+01 -3.79990873D+01 9.27669188D+00 -1.04260804D+00 5.58050360D-02 -1.08857579D-03 2 9 1 51 1 196 151.00 'SbH ' 0.000 6 -6.05690458D+01 4.33044625D+01 -1.15765490D+01 1.52628668D+00 -9.72331140D-02 2.42617219D-03 2 1 1 51 1 197 851.00 'SbO ' -4.460 6 -3.06717142D+02 2.25791934D+02 -6.43816863D+01 9.05566264D+00 -6.26589968D-01 1.71397325D-02 2 8 1 51 1 198 1551.00 'SbP ' -3.680 6 -4.03410726D+01 3.38845480D+01 -1.00922417D+01 1.50399076D+00 -1.08526658D-01 3.07718320D-03 2 15 1 51 1 199 1721.00 'ScCl ' -3.400 6 1.25116107D+03 -7.75669147D+02 1.91800699D+02 -2.35244091D+01 1.43272185D+00 -3.46031919D-02 2 17 1 21 1 200 921.00 'ScF ' -6.170 6 1.24231866D+02 -6.98132613D+01 1.52170262D+01 -1.47945883D+00 6.05864099D-02 -5.65632519D-04 2 9 1 21 1 201 821.00 'ScO ' -7.014 6 6.56657111D+02 -3.92726831D+02 9.35720455D+01 -1.09899729D+01 6.36545259D-01 -1.44609823D-02 2 8 1 21 1 202 1621.00 'ScS ' -4.920 6 3.23996829D+02 -1.96748729D+02 4.81267181D+01 -5.81141332D+00 3.48685731D-01 -8.28527130D-03 2 16 1 21 1 203 3434.00 'SeSe ' -3.409 6 -5.53363490D+00 4.75026371D+00 -1.31484614D+00 2.60483745D-01 -2.31661251D-02 7.71963878D-04 1 34 2 204 1734.00 'SeCl ' -3.299 6 3.12249466D+01 -1.36050530D+01 2.75514578D+00 -2.41133872D-01 1.03422012D-02 -1.70756987D-04 2 17 1 34 1 205 934.00 'SeF ' -3.210 6 2.43091758D+01 -8.77234065D+00 1.39739333D+00 -6.14484100D-02 -1.15416295D-03 1.17395428D-04 2 9 1 34 1 206 134.00 'SeH ' -3.200 6 -1.75206890D+02 1.11353278D+02 -2.75288626D+01 3.37674691D+00 -2.03862249D-01 4.87368900D-03 2 1 1 34 1 207 834.00 'SeO ' -4.820 6 2.15185510D+02 -1.20013936D+02 2.63847476D+01 -2.73948422D+00 1.32109104D-01 -2.18782389D-03 2 8 1 34 1 208 1634.00 'SeS ' -3.700 6 -6.12711243D+02 4.03985397D+02 -1.05818361D+02 1.38897257D+01 -9.09773613D-01 2.38028125D-02 2 16 1 34 1 209 916.00 'S F ' -3.300 6 3.27285296D+02 -2.07507339D+02 5.28281027D+01 -6.64985791D+00 4.17364394D-01 -1.04339634D-02 2 9 1 16 1 210 116.00 'H S ' -3.550 6 -1.20583114D+02 8.07292555D+01 -2.09792177D+01 2.72710304D+00 -1.76175477D-01 4.57486427D-03 2 1 1 16 1 211 1414.00 'SiSi ' -3.210 6 -1.27951167D+02 1.00390308D+02 -2.99287969D+01 4.41778940D+00 -3.19950360D-01 9.15328598D-03 1 14 2 212 614.00 'SiC ' -4.640 6 6.87643303D+00 2.85672038D+00 -1.61488909D+00 3.17598864D-01 -2.45850264D-02 6.90142822D-04 2 6 1 14 1 213 1417.00 'SiCl ' -4.169 6 -1.20310978D+02 8.97587329D+01 -2.57236241D+01 3.69910405D+00 -2.62746673D-01 7.40658430D-03 2 14 1 17 1 214 914.00 'SiF ' -5.570 6 -3.39609703D+02 2.30610082D+02 -6.15794230D+01 8.21317218D+00 -5.44415496D-01 1.43827187D-02 2 9 1 14 1 215 114.00 'SiH ' -3.060 6 9.01120422D+01 -4.42299680D+01 8.35706604D+00 -6.74290104D-01 1.83429417D-02 1.99216485D-04 2 1 1 14 1 216 714.00 'SiN ' -4.511 6 8.21574438D+01 -6.42881432D+01 2.00756119D+01 -2.99671084D+00 2.17929586D-01 -6.14725152D-03 2 7 1 14 1 217 814.00 'SiO ' -8.233 6 -2.15875181D+03 1.39829157D+03 -3.60944495D+02 4.65013492D+01 -2.98775490D+00 7.66236404D-02 2 8 1 14 1 218 1416.00 'SiS ' -6.420 6 -6.99042251D+01 5.18468270D+01 -1.44069723D+01 1.99939336D+00 -1.35614440D-01 3.63214341D-03 2 14 1 16 1 219 1434.00 'SiSe ' -5.640 6 -8.72627061D+01 6.29797649D+01 -1.72764024D+01 2.37979698D+00 -1.61248152D-01 4.32940110D-03 2 14 1 34 1 220 1452.00 'SiTe ' -4.640 6 -1.70695326D+01 1.69189339D+01 -5.18583694D+00 8.00999650D-01 -5.84831365D-02 1.65776575D-03 2 14 1 52 1 221 1750.00 'SnCl ' -4.252 6 1.57510949D+02 -7.83559222D+01 1.51389699D+01 -1.28971090D+00 4.37792948D-02 -1.77871861D-04 2 17 1 50 1 222 950.00 'SnF ' -4.900 6 -1.77843412D+02 1.39763209D+02 -4.15355483D+01 6.04272421D+00 -4.28920372D-01 1.19743337D-02 2 9 1 50 1 223 150.00 'SnH ' -2.730 6 -8.87394505D+01 6.06629991D+01 -1.57452796D+01 2.02149736D+00 -1.26450222D-01 3.11275757D-03 2 1 1 50 1 224 850.00 'SnO ' -5.490 6 -8.81019601D+02 5.83444074D+02 -1.53605669D+02 2.02003169D+01 -1.32413496D+00 3.46423237D-02 2 8 1 50 1 225 1650.00 'SnS ' -4.770 6 -9.61409372D+01 6.87354139D+01 -1.87666919D+01 2.57978134D+00 -1.74958756D-01 4.71004689D-03 2 16 1 50 1 226 816.00 'S O ' -5.359 6 2.97083271D+01 -2.07503029D+01 6.60523149D+00 -1.00460457D+00 7.58686201D-02 -2.22339827D-03 2 8 1 16 1 227 1738.00 'SrCl ' -4.160 6 7.70869113D+02 -4.75265096D+02 1.17076755D+02 -1.42705448D+01 8.62749255D-01 -2.06509231D-02 2 17 1 38 1 228 938.00 'SrF ' -5.580 6 7.10648654D+02 -4.31779482D+02 1.04671517D+02 -1.25326760D+01 7.42445325D-01 -1.73460639D-02 2 9 1 38 1 229 138.00 'SrH ' -1.660 6 1.75504979D+03 -1.10608040D+03 2.78170189D+02 -3.48162878D+01 2.16970999D+00 -5.37884508D-02 2 1 1 38 1 230 838.00 'SrO ' -4.373 6 -1.22578844D+02 -2.03496764D+01 3.10716081D+01 -7.19845755D+00 6.59155952D-01 -2.15829716D-02 2 8 1 38 1 231 1638.00 'SrS ' -3.480 6 2.03747075D+02 -1.21717122D+02 2.94203989D+01 -3.48646533D+00 2.05005845D-01 -4.75985101D-03 2 16 1 38 1 232 873.00 'TaO ' -8.242 6 2.14836502D+03 -1.38688596D+03 3.58061723D+02 -4.60815246D+01 2.95709496D+00 -7.56026559D-02 2 8 1 73 1 233 865.00 'TbO ' -7.300 6 2.01030790D+01 -5.83162112D+00 6.18756537D-01 3.79625360D-02 -7.36335465D-03 2.70365229D-04 2 8 1 65 1 234 5252.00 'TeTe ' -2.677 6 4.12893861D+02 -2.35795654D+02 5.36545357D+01 -5.97798928D+00 3.28690678D-01 -7.11131701D-03 1 52 2 235 1752.00 'TeCl ' 0.000 6 3.09649731D+01 -1.45181408D+01 3.27525838D+00 -3.30021511D-01 1.68592636D-02 -3.48628848D-04 2 17 1 52 1 236 152.00 'TeH ' -2.739 6 -1.29964115D+02 8.52837871D+01 -2.15599795D+01 2.70131732D+00 -1.65945594D-01 4.02701894D-03 2 1 1 52 1 237 852.00 'TeO ' -3.900 6 -4.85762790D+01 3.99969450D+01 -1.20254342D+01 1.80694979D+00 -1.31604286D-01 3.76021115D-03 2 8 1 52 1 238 1652.00 'TeS ' -3.500 6 1.35425487D+02 -7.30278783D+01 1.56919453D+01 -1.57105744D+00 7.34564810D-02 -1.20597122D-03 2 16 1 52 1 239 890.00 'ThO ' -9.066 6 9.21467028D+02 -6.06585414D+02 1.59961005D+02 -2.09953984D+01 1.37251668D+00 -3.56597507D-02 2 8 1 90 1 240 722.00 'TiN ' -4.900 6 -3.11609951D+01 2.62619778D+01 -7.43086865D+00 1.02822683D+00 -6.75445083D-02 1.72179962D-03 2 7 1 22 1 241 822.00 'TiO ' -6.87 6 5.92027276D+02 -3.65351492D+02 9.03939514D+01 -1.10869716D+01 6.75722876D-01 -1.63144071D-02 2 8 1 22 1 242 1622.00 'TiS ' -4.750 6 4.34317302D+02 -2.67507099D+02 6.61494632D+01 -8.07308229D+00 4.88582047D-01 -1.16932962D-02 2 16 1 22 1 243 1781.00 'TlCl ' -3.820 6 6.21667387D+02 -3.88409168D+02 9.72664747D+01 -1.20768537D+01 7.46306528D-01 -1.83350315D-02 2 17 1 81 1 244 981.00 'TlF ' -4.570 6 2.83209841D+02 -1.69310453D+02 4.05881211D+01 -4.77510680D+00 2.77534676D-01 -6.33223826D-03 2 9 1 81 1 245 181.00 'TlH ' -1.970 6 2.78081841D+03 -1.76474473D+03 4.46849560D+02 -5.63677911D+01 3.54315616D+00 -8.87082546D-02 2 1 1 81 1 246 823.00 'V O ' -6.437 6 6.62090157D+02 -4.03350494D+02 9.82836218D+01 -1.18526504D+01 7.08429905D-01 -1.67235124D-02 2 8 1 23 1 247 874.00 'W O ' -6.923 6 -8.81931862D+00 1.31360428D+01 -4.27733521D+00 6.59954927D-01 -4.65576391D-02 1.25577534D-03 2 8 1 74 1 248 1770.00 'YbCl ' -3.299 6 3.99884194D+02 -2.52951499D+02 6.45033782D+01 -8.14956843D+00 5.13299485D-01 -1.28708079D-02 2 17 1 70 1 249 970.00 'YbF ' -4.800 6 3.08858089D+02 -1.86397312D+02 4.53010354D+01 -5.43135556D+00 3.23589844D-01 -7.63426028D-03 2 9 1 70 1 250 170.00 'YbH ' -1.930 6 1.53361886D+03 -9.73332762D+02 2.46705591D+02 -3.11402174D+01 1.95866356D+00 -4.90463870D-02 2 1 1 70 1 251 1739.00 'Y Cl ' -5.423 6 3.24937757D+02 -1.91794267D+02 4.52348187D+01 -5.21021381D+00 2.94244320D-01 -6.45674856D-03 2 17 1 39 1 252 939.00 'Y F ' -6.200 6 1.54548674D+02 -8.59265991D+01 1.79832990D+01 -1.62362561D+00 5.55883649D-02 -7.82636189D-05 2 9 1 39 1 253 839.00 'Y O ' -7.413 6 3.36558446D+01 -4.42385014D-01 -4.77049741D+00 1.27806170D+00 -1.24443836D-01 4.30094160D-03 2 8 1 39 1 254 1639.00 'Y S ' -5.450 6 3.16554092D+01 -1.48873285D+01 3.21802426D+00 -3.10202086D-01 1.50843535D-02 -2.95267290D-04 2 16 1 39 1 255 1730.00 'ZnCl ' -2.100 6 3.40767323D+02 -2.12942509D+02 5.37174066D+01 -6.71819677D+00 4.19687325D-01 -1.04588654D-02 2 17 1 30 1 256 930.00 'ZnF ' -3.776 6 2.07849878D+02 -1.25470965D+02 3.07592262D+01 -3.72971865D+00 2.26368490D-01 -5.48201076D-03 2 9 1 30 1 257 130.00 'ZnH ' -0.851 6 -9.68783267D+02 6.01662923D+02 -1.48093093D+02 1.81048448D+01 -1.09721013D+00 2.64032991D-02 2 1 1 30 1 258 740.00 'ZrN ' -5.810 6 4.34468538D+00 3.93361017D+00 -1.88718819D+00 3.51297005D-01 -2.66424369D-02 7.39946943D-04 2 7 1 40 1 259 840.00 'ZrO ' -7.890 6 4.27195765D+02 -2.51905561D+02 5.85682500D+01 -6.63032743D+00 3.67462428D-01 -7.92597014D-03 2 8 1 40 1 260 858.00 'CeO ' -8.307 6 1.77447319D+01 -3.97320060D+00 1.35245582D-01 9.89762216D-02 -1.11421330D-02 3.62858597D-04 2 8 1 58 1 261 122.00 'TiH ' -2.08 6 4.197503d+00 -1.152690D+00 0.2287068D+00 0.0D+00 0.0D+00 0.0D+00 2 1 1 22 1 701 1301.01 'Al+ H ' 0.000 4 5.84394853D+01 -2.26330216D+01 3.02789107D+00 -1.24596887D-01 3 1 1 13 1 99 -1 702 3308.01 'As+ O' 0.000 3 3.86467649D+00 -4.40050682D-01 1.38539940D-01 3 8 1 33 1 99 -1 703 104.01 'Be+ H ' 6.180 3 8.76965212D+00 -2.40439352D+00 2.53150254D-01 3 1 1 4 1 99 -1 704 105.01 'B + H ' 6.346 3 8.16888251D+00 -2.06773304D+00 2.28091462D-01 3 1 1 5 1 99 -1 705 508.01 'B + O ' 0.000 3 4.47038140D+00 -8.19175056D-01 1.51438486D-01 3 5 1 8 1 99 -1 706 606.01 'C C +' 5.936 3 3.39190153D+00 -3.90810544D-01 1.29593473D-01 2 6 2 99 -1 707 4801.01 'Cd+ H ' 6.893 3 9.86414436D+00 -2.63243213D+00 2.76254720D-01 3 1 1 48 1 99 -1 708 601.01 'C + H ' 7.175 5 -4.74034108D+02 2.39033237D+02 -4.46707469D+01 3.67911617D+00 -1.11712976D-01 3 1 1 6 1 99 -1 709 607.01 'C + N ' 6.410 4 6.28845967D+00 -1.60985216D-01 -1.28988037D-01 2.11056489D-02 3 6 1 7 1 99 -1 710 608.01 'C + O ' 2.922 4 -1.09351866D+01 5.87925152D+00 -7.74184648D-01 4.20604084D-02 3 6 1 8 1 99 -1 711 101.01 'H H +' 10.948 5 -2.89144623D+02 1.42465822D+02 -2.59860025D+01 2.08659519D+00 -6.12955123D-02 2 1 2 99 -1 712 3501.01 'H Br+' 7.920 4 -6.45068966D+00 4.05840931D+00 -5.65309587D-01 3.42330230D-02 3 1 1 35 1 99 -1 713 1701.01 'H Cl+' 8.314 4 -8.26797817D+00 4.72718358D+00 -6.54259022D-01 3.79486734D-02 3 1 1 17 1 99 -1 714 202.01 'HeHe+' 22.222 3 9.40102072D+00 -2.57356734D+00 2.74039818D-01 2 2 2 99 -1 715 201.01 'HeH +' 11.753 4 1.92336002D+01 -6.29837024D+00 6.76639034D-01 -1.49757687D-02 3 1 1 2 1 99 -1 716 901.01 'H + F ' 10.175 4 -1.89782752D+01 8.96449417D+00 -1.23784354D+00 6.44108945D-02 3 1 1 9 1 99 -1 717 8001.01 'Hg+ H ' 7.447 3 9.99665833D+00 -2.64190984D+00 2.72476358D-01 3 1 1 80 1 99 -1 718 1201.01 'Mg+ H ' 5.566 3 9.49548356D+00 -2.55450255D+00 2.71824916D-01 3 1 1 12 1 99 -1 719 707.01 'N N +' 5.821 4 -4.06750621D+00 3.77515253D+00 -6.20867522D-01 4.11362111D-02 2 7 2 99 -1 720 1010.01 'NeNe+' 20.264 3 -1.25915599D+00 8.85674103D-01 6.12789514D-02 2 10 2 99 -1 721 1001.01 'NeH +' 11.518 3 4.83080400D+00 -1.39472623D+00 1.77452725D-01 3 1 1 10 1 99 -1 722 701.01 'N H +' 10.068 4 -3.46880551D+01 1.46677297D+01 -1.89860350D+00 9.01752523D-02 3 1 1 7 1 99 -1 723 708.01 'N O +' 2.767 3 6.82230110D+00 -1.40760158D+00 1.84184290D-01 3 7 1 8 1 99 -1 724 1607.01 'N S +' 4.060 3 5.46297649D+00 -9.40042763D-01 1.66421645D-01 3 7 1 16 1 99 -1 725 808.01 'O O +' 6.955 3 8.21240778D+00 -1.60340575D+00 2.02424658D-01 2 8 2 99 -1 726 801.01 'O + H ' 8.528 4 -2.89088235D+01 1.26145101D+01 -1.69238564D+00 8.30834525D-02 3 1 1 8 1 99 -1 727 1515.01 'P P +' 5.496 4 -1.53960443D+01 6.76565468D+00 -7.12403816D-01 3.49308863D-02 2 15 2 99 -1 728 1501.01 'P + H ' 7.126 3 5.83577016D+00 -1.15861686D+00 1.67681099D-01 3 1 1 15 1 99 -1 729 1508.01 'P + O ' 2.076 3 4.17550593D+00 -5.51765265D-01 1.39842823D-01 3 8 1 15 1 99 -1 730 1616.01 'S S +' 4.990 3 1.93427516D+00 3.86651258D-01 8.83354976D-02 2 16 2 99 -1 731 1601.01 'S + H ' 6.880 3 6.27272028D+00 -1.32817804D+00 1.74933817D-01 3 1 1 16 1 99 -1 732 1401.01 'Si+ H ' 4.981 4 -1.43090530D+01 6.50803931D+00 -8.73736071D-01 4.73792583D-02 3 1 1 14 1 99 -1 733 1408.01 'Si+ O ' 3.171 3 3.73433028D+00 -2.72661517D-01 1.23426492D-01 3 8 1 14 1 99 -1 734 1608.01 'S + O ' 2.721 3 4.86349367D+00 -4.02477350D-01 1.30201486D-01 3 8 1 16 1 99 -1 735 7308.01 'Ta+ O ' -0.280 3 5.65056643D+00 -6.65658875D-01 1.53566529D-01 3 8 1 73 1 99 -1 736 3001.01 'Zn+ H ' 6.894 4 -3.59005658D+00 2.48846485D+00 -3.78220999D-01 2.75750301D-02 3 1 1 30 1 99 -1 800 10101.01 'H H H + ' 4.77 7 181.0370601625168376 -134.8220028865232507 38.4125953763934831 -4.8902134406892195 0.2131650158739452 0.0079746152735982 -0.0006991796693108 2 1 3 99 -1 801 126.00 'FeH ' -1.590 6 0.1552109D0 .3983233D0 .6073527D0 -.198406D0 2.47056D-02 -9.90570D-04 2 1 1 26 1 802 822.01 'TiO + ' -0.47 6 6.56657111D+02 -3.92726831D+02 9.35720455D+01 -1.09899729D+01 6.36545259D-01 -1.44609823D-02 3 8 1 22 1 99 -1 803 840.01 'ZrO + ' -1.79 6 3.36558446D+01 -4.42385014D-01 -4.77049741D+00 1.27806170D+00 -1.24443836D-01 4.30094160D-03 3 8 1 40 1 99 -1 804 857.01 'LaO + ' -3.28 6 3.91943271D+03 -2.44965300D+03 6.10100663D+02 -7.55606585D+01 4.65378755D+00 -1.13934042D-01 3 8 1 57 1 99 -1