Accuracy

1,3,5-trimethylbenzene tungsten tricarbonyl   7354 1,3,5-Trimethylbenzene tungsten tricarbonyl

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    #  Species Formula
  7344 Bicyclopentadienyl tungsten dihydrideC10H12W
  7345 Dibenzene tungstenC12H12W
  7346 Dibenzene tungsten (Geo)C12H12W
  7347 Bicyclopentadienyl ethylene tungsten (Geo)C12H14W
  7348 W(Cp)2C (BATKIQ) (Geo)C17H16W
  7349 W(Cp)2C (BATKIQ)C17H16W
  7350 W(II)(NH3)6H18N6W
  7351 W(II)(NH3)6 (Geo)H18N6W
  7352 Dimethyl tungsten(VI) dioxide (Geo)C2H6O2W
  7353 Tungsten trioxideO3W
  7354 1,3,5-Trimethylbenzene tungsten tricarbonyl C12H12O3W
  7355 Tungstic acid (WO2(OH)2)H2O4W
  7356 Pyridine tungsten(VI) pentacarbonylC10H5NO5W
  7357 Piperidine tungsten(VI) pentacarbonylC10H11NO5W
  7358 W(II)(H2O)6H12O6W
  7359 W(II)(H2O)6 (Geo)H12O6W
  7360 Tungsten hexacarbonylC6O6W
  7361 Tungsten hexacarbonyl (Geo)C6O6W
  7362 Tungsten(I) fluorideFW
  7363 Tungsten(I) fluoride (Geo)FW
  7364 Tungsten(VI) difluoride dioxideO2F2W


ΔHf: -87.5 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.
  
 SHIFT=20 PULAY PM7
1,3,5-Trimethylbenzene tungsten tricarbonyl
 H=-87.5 HR=NIST
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  W     1.91815206 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.09280806 +1  135.5092342 +1    0.0000000 +0     2     1     0
  C     2.06283223 +1   83.1488649 +1 -127.0515942 +1     2     3     1
  C     2.05870909 +1   84.6354813 +1 -110.4591149 +1     2     3     4
  O     1.15031933 +1  177.0641959 +1 -131.1282687 +1     3     2     4
  O     1.15004411 +1  179.3124346 +1  131.6675728 +1     4     2     3
  O     1.15025567 +1  179.2465878 +1 -131.8886936 +1     5     2     3
  C     1.52394611 +1  100.5071414 +1  -57.5570042 +1     1     2     3
  C     1.51441118 +1   55.7483852 +1   68.3233510 +1     9     1     2
  C     1.51387465 +1  108.5202578 +1   38.4840180 +1    10     9     1
  C     1.35938488 +1  115.0470731 +1  -48.6824874 +1    11    10     9
  C     1.50884504 +1  114.3583527 +1   -1.6516838 +1    12    11    10
  C     1.35983717 +1  115.0745494 +1   48.7630211 +1     9    10    11
  C     1.49857880 +1  116.5740694 +1 -177.2547345 +1    10     9    14
  C     1.47866160 +1  125.4114284 +1  177.9602733 +1    12    11    10
  C     1.47869598 +1  125.4194329 +1 -177.9804435 +1    14     9    10
  H     1.07257068 +1  119.2796792 +1 -129.6147065 +1     9    10    11
  H     1.07213437 +1  119.2622759 +1  129.6609128 +1    11    10     9
  H     1.08322782 +1  116.6151347 +1 -174.0953928 +1    13    12    11
  H     1.09687884 +1  111.9945388 +1  178.6824295 +1    15    10     9
  H     1.09669869 +1  112.1490267 +1   57.1780882 +1    15    10     9
  H     1.09892487 +1  111.1777900 +1  -62.1506773 +1    15    10     9
  H     1.09841348 +1  112.3812681 +1  143.2925582 +1    16    12    11
  H     1.09871225 +1  112.7966166 +1   21.5744272 +1    16    12    11
  H     1.10349286 +1  110.3363597 +1  -97.7989231 +1    16    12    11
  H     1.10344961 +1  110.3479795 +1   94.8597811 +1    17    14     9
  H     1.09882522 +1  112.7220273 +1  -24.4790471 +1    17    14     9
  H     1.09831808 +1  112.4577504 +1 -146.1954269 +1    17    14     9