Accuracy

mn(co)5coch3   3264 Mn(CO)5COCH3

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    #  Species Formula
  3254 Mn(CO)5C5O5Mn
  3255 Mn(CO)5HHC5O5Mn
  3256 Mn(CO)5H (Geo)HC5O5Mn
  3257 Mn(CO)5CH3C6H3O5Mn
  3258 Mn(CO)5(C6H5)C11H5O5Mn
  3259 Mn(CO)5(C6H5CH2)C12H7O5Mn
  3260 Mn(II)(H2O)6H12O6Mn
  3261 Mn(H2O)6, 2+ion (Geo)H12O6Mn
  3262 Manganese hexacarbonyl, cationC6O6Mn
  3263 Manganese hexacarbonyl, cation (Geo)C6O6Mn
  3264 Mn(CO)5COCH3 C7H3O6Mn
  3265 Mn(CO)5(C6H5CO)C12H5O6Mn
  3266 Mn(acac)3C15H21O6Mn
  3267 Mn(II)O4N2 (XOYHAU) (Geo)C12H12N2O6Mn
  3268 Mn(III)EDTA(-) (EDTMNK01) (Geo)C10H12N2O8Mn
  3269 Mn(III)EDTA(-) (EDTMNK01)C10H12N2O8Mn
  3270 Mn(III)O6(-) (KAMMND) (Geo)C6H8O10Mn
  3271 Mn(III)O6(-) (KAMMND)C6H8O10Mn
  3272 Manganese(I) fluorideFMn
  3273 Manganese(I) fluoride (Geo)FMn
  3274 Manganese(IV) oxide difluoride (Geo)OF2Mn


ΔHf: -215.3 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
Mn(CO)5COCH3
 H=-215.3 HR=NIST
 Mn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.85266256 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.86155517 +1   90.2785934 +1    0.0000000 +0     1     2     0
  C     1.86091888 +1   90.4795476 +1  173.8514759 +1     1     2     3
  C     1.90000000 +0   93.0662364 +1   86.8798397 +1     1     2     3
  C     1.91230507 +1  177.8049369 +1   85.9429859 +1     1     2     3
  C     1.51950996 +1  132.7803689 +1    0.4470626 +1     5     1     2
  C     1.85143472 +1   90.8735674 +1  -93.0494587 +1     1     2     3
  H     1.10410770 +1  109.3429983 +1  179.8673694 +1     7     5     1
  H     1.09510641 +1  112.6973108 +1   61.3676011 +1     7     5     1
  H     1.09514783 +1  112.6872144 +1  -61.6397222 +1     7     5     1
  O     1.14725240 +1  179.2316575 +1   46.3827895 +1     3     1     2
  O     1.14732292 +1  179.1897569 +1  -44.2069758 +1     4     1     2
  O     1.14273979 +1  178.0436479 +1   47.5684760 +1     6     1     4
  O     1.14902970 +1  178.2668462 +1   89.1431361 +1     2     1     3
  O     1.22581861 +1  109.8479171 +1 -179.5666402 +1     5     1     2
  O     1.15018597 +1  179.5040700 +1   39.3744642 +1     8     1     2