PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

bicyclopentadienyl tungsten dihydride   7345 Bicyclopentadienyl tungsten dihydride

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    #  Species Formula
  7335 Tantalum(III) triiodide (Geo)I3Ta
  7336 Tantalum(III) triiodideI3Ta
  7337 Tantalum(V) oxide triiodideOI3Ta
  7338 Tantalum(V) oxide triiodide (Geo)OI3Ta
  7339 Tantalum(V) tetraiodide, cation (Geo)I4Ta
  7340 Tantalum(V) tetraiodide, cationI4Ta
  7341 Ta6Cl12, dicationCl12Ta6
  7342 Ta6Br12, dicationBr12Ta6
  7343 Tungsten, cationW
  7344 Tungsten, atomW
  7345 Bicyclopentadienyl tungsten dihydride C10H12W
  7346 Dibenzene tungstenC12H12W
  7347 Dibenzene tungsten (Geo)C12H12W
  7348 Bicyclopentadienyl ethylene tungsten (Geo)C12H14W
  7349 W(Cp)2C (BATKIQ) (Geo)C17H16W
  7350 W(Cp)2C (BATKIQ)C17H16W
  7351 W(II)(NH3)6H18N6W
  7352 W(II)(NH3)6 (Geo)H18N6W
  7353 Dimethyl tungsten(VI) dioxide (Geo)C2H6O2W
  7354 Tungsten trioxideO3W
  7355 1,3,5-Trimethylbenzene tungsten tricarbonylC12H12O3W


ΔHf: 79.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Bicyclopentadienyl tungsten dihydride
 H=79.95 HR=NIST
  W     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.62823928 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.45977106 +1   61.8415956 +1    0.0000000 +0     2     1     0
  C     1.46035617 +1  107.4680034 +1   67.7071717 +1     3     2     1
  C     1.45613198 +1  106.1357829 +1  -10.9492002 +1     4     3     2
  C     1.39492247 +1   75.1447098 +1  121.2233692 +1     2     1     3
  H     1.07301621 +1  129.4769803 +1  126.2576410 +1     2     1     6
  H     1.07164402 +1  124.2364361 +1  161.3455276 +1     3     2     4
  H     1.07007313 +1  126.3706245 +1  169.4328251 +1     4     3     5
  H     1.07148386 +1  125.4062129 +1  173.1235934 +1     5     4     3
  H     1.07322929 +1  127.0797468 +1  128.2670396 +1     6     2     1
  C     2.62818449 +1  146.4347277 +1   91.9290767 +1     1     2     3
  C     1.39453483 +1   75.3555023 +1  147.1640487 +1    12     1     2
  C     1.45725269 +1  108.7724328 +1   52.5263671 +1    13    12     1
  C     1.45607730 +1  107.6683342 +1    7.2269591 +1    14    13    12
  C     1.46062950 +1   61.6862550 +1  121.1136298 +1    12     1    13
  H     1.07289245 +1  129.4117646 +1  112.4375880 +1    12     1    16
  H     1.07325737 +1  127.0852670 +1  179.1840147 +1    13    12    14
  H     1.07143419 +1  124.2848495 +1  162.3420188 +1    14    13    15
  H     1.06991589 +1  126.5287393 +1  158.1362503 +1    15    14    13
  H     1.07164505 +1  124.1718636 +1  130.9654223 +1    16    12     1
  H     1.68800012 +1   73.6935308 +1   15.3406324 +1     1     2    12
  H     1.68705156 +1   93.1229309 +1   84.2840119 +1     1     2    22