Accuracy

hexamethylbenzene chromium tricarbonyl   3155 Hexamethylbenzene chromium tricarbonyl

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    #  Species Formula
  3145 Chromium(VI) trioxideO3Cr
  3146 Chromium(VI) trioxide (Geo)O3Cr
  3147 Chromium(V) trioxide, anionO3Cr
  3148 Cyclobutadiene chromium tricarbonyl (Geo)C8H5O3Cr
  3149 (C6H6)Cr(CO)3 (Geo)C9H6O3Cr
  3150 Cr(CO)3(C6H6)C9H6O3Cr
  3151 Cr(CO)3(C6H5CH3)C10H8O3Cr
  3152 Cr(CO)3(C7H8)C10H8O3Cr
  3153 1,3,5-Trimethylbenzene chromium tricarbonylC12H12O3Cr
  3154 Cr(CO)3(C10H8)C13H8O3Cr
  3155 Hexamethylbenzene chromium tricarbonyl C15H18O3Cr
  3156 Cr(CO)3(C6H5-NMe2)C11H11NO3Cr
  3157 CrO4, anionO4Cr
  3158 Chromate ion (Geo)O4Cr
  3159 Cr(CO)4, anionC4O4Cr
  3160 Cr(CO)3(C6H5-CHO)C10H6O4Cr
  3161 Cr(CO)3(Ph-O-Me)C10H8O4Cr
  3162 Cr(CO)4(C7)C11H8O4Cr
  3163 Cr(O-t-butyl)4C16H36O4Cr
  3164 Cr(CO)4(Py)2C14H10N2O4Cr
  3165 Cr(CO)4(Piperidine)2C14H20N2O4Cr


ΔHf: -134.2 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.
  
 PULAY PM7
Hexamethylbenzene chromium tricarbonyl
 H=-134.2 HR=NIST
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cr     1.80913379 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.87284378 +1  134.1750285 +1    0.0000000 +0     2     1     0
  C     1.87301496 +1   87.5186879 +1 -149.0234787 +1     2     3     1
  C     1.87243376 +1   87.5176519 +1  -87.6115056 +1     2     3     4
  O     1.17346517 +1  177.2123827 +1 -136.0195463 +1     3     2     4
  O     1.17337103 +1  177.2634668 +1  136.9766624 +1     4     2     3
  O     1.17346304 +1  177.1942798 +1 -136.0395040 +1     5     2     3
  C     1.55042870 +1   92.2040307 +1    6.6191260 +1     1     2     3
  C     1.39887983 +1   47.0203033 +1  108.0036183 +1     9     1     2
  C     1.44732444 +1  119.9642454 +1   10.1153318 +1    10     9     1
  C     1.39881745 +1  120.0370452 +1   -0.0891116 +1    11    10     9
  C     1.44765997 +1  119.9618766 +1    0.5077141 +1    12    11    10
  C     1.44728246 +1  120.0243564 +1   -0.3990633 +1     9    10    11
  C     1.49494131 +1  121.3605235 +1 -174.7739509 +1     9    10    11
  C     1.49464501 +1  121.4764124 +1  174.3679400 +1    10     9    14
  C     1.49496481 +1  118.0883584 +1  174.7384605 +1    11    10     9
  C     1.49484637 +1  121.3498986 +1  175.1999755 +1    12    11    10
  C     1.49489792 +1  118.1766681 +1  174.4965280 +1    13    12    11
  C     1.49484415 +1  118.1704546 +1 -174.6632568 +1    14     9    10
  H     1.10178435 +1  110.3248135 +1   97.9683697 +1    15     9    10
  H     1.09984844 +1  113.2352412 +1  -21.9618715 +1    15     9    10
  H     1.10077971 +1  112.6901135 +1 -142.1148751 +1    15     9    10
  H     1.10062775 +1  112.7103977 +1  142.3993577 +1    16    10     9
  H     1.09987289 +1  113.2408178 +1   22.2316567 +1    16    10     9
  H     1.10185205 +1  110.3050284 +1  -97.6917297 +1    16    10     9
  H     1.09920993 +1  113.4735389 +1  170.3023593 +1    17    11    10
  H     1.10120231 +1  112.4156781 +1   49.9553222 +1    17    11    10
  H     1.10192063 +1  110.3345491 +1  -69.8932668 +1    17    11    10
  H     1.10066535 +1  112.7753820 +1  144.1643433 +1    18    12    11
  H     1.10012686 +1  113.1161771 +1   24.1829379 +1    18    12    11
  H     1.10171299 +1  110.3692361 +1  -95.8677157 +1    18    12    11
  H     1.09966477 +1  113.3817528 +1  167.7068005 +1    19    13    12
  H     1.10116992 +1  112.5091313 +1   47.5283695 +1    19    13    12
  H     1.10182833 +1  110.3344889 +1  -72.3627092 +1    19    13    12
  H     1.09963229 +1  113.3637828 +1 -167.4603847 +1    20    14     9
  H     1.10184589 +1  110.3416406 +1   72.6084912 +1    20    14     9
  H     1.10109350 +1  112.4993106 +1  -47.2797205 +1    20    14     9