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

mn(co)5(c6h5co)   3266 Mn(CO)5(C6H5CO)

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    #  Species Formula
  3256 Mn(CO)5HHC5O5Mn
  3257 Mn(CO)5H (Geo)HC5O5Mn
  3258 Mn(CO)5CH3C6H3O5Mn
  3259 Mn(CO)5(C6H5)C11H5O5Mn
  3260 Mn(CO)5(C6H5CH2)C12H7O5Mn
  3261 Mn(II)(H2O)6H12O6Mn
  3262 Mn(H2O)6, 2+ion (Geo)H12O6Mn
  3263 Manganese hexacarbonyl, cationC6O6Mn
  3264 Manganese hexacarbonyl, cation (Geo)C6O6Mn
  3265 Mn(CO)5COCH3C7H3O6Mn
  3266 Mn(CO)5(C6H5CO) C12H5O6Mn
  3267 Mn(acac)3C15H21O6Mn
  3268 Mn(II)O4N2 (XOYHAU) (Geo)C12H12N2O6Mn
  3269 Mn(III)EDTA(-) (EDTMNK01) (Geo)C10H12N2O8Mn
  3270 Mn(III)EDTA(-) (EDTMNK01)C10H12N2O8Mn
  3271 Mn(III)O6(-) (KAMMND) (Geo)C6H8O10Mn
  3272 Mn(III)O6(-) (KAMMND)C6H8O10Mn
  3273 Manganese(I) fluorideFMn
  3274 Manganese(I) fluoride (Geo)FMn
  3275 Manganese(IV) oxide difluoride (Geo)OF2Mn
  3276 Mn(CO)5C (CDFVMN) (Geo)HC7O5F2Mn


ΔHf: -173.2 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.
  
 PM7
Mn(CO)5(C6H5CO)
 H=-173.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39480058 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39374306 +1  119.7240863 +1    0.0000000 +0     2     1     0
  C     1.39385152 +1  120.1134462 +1   -0.5030881 +1     3     2     1
  C     1.39394597 +1  120.0010427 +1   -0.6003147 +1     4     3     2
  C     1.39347165 +1  120.1045392 +1    0.7106005 +1     5     4     3
 Mn     3.07266193 +1  115.8146016 +1 -147.9154116 +1     1     2     3
  C     1.79459400 +0   68.9874649 +1   73.3246321 +1     7     1     2
  C     1.80541300 +0  109.7556708 +1 -106.7996249 +1     7     1     2
  C     1.79721900 +0   86.4994889 +1  164.8286799 +1     7     1     2
  C     1.79226600 +0   87.1661429 +1  -18.0697165 +1     7     1     2
  O     1.14980884 +1  179.9969527 +1   24.8724827 +1    10     7     1
  O     1.15020195 +1  179.9377596 +1  159.5517957 +1    11     7     1
  O     1.14670607 +1  176.2888752 +1 -174.3760391 +1     9     7     1
  O     1.14985824 +1  177.6247631 +1  174.6200024 +1     8     7     1
  C     1.78490500 +0  159.5866420 +1   74.3539351 +1     7     1     2
  O     1.15361119 +1  179.6437582 +1   25.2321118 +1    16     7     1
  C     1.90355300 +0   87.2595394 +1   86.5299905 +1     7     9    11
  H     1.08829079 +1  120.4561051 +1 -178.8948125 +1     2     1     3
  H     1.08904541 +1  119.8836090 +1  179.8556166 +1     3     2     1
  H     1.08877089 +1  120.0054331 +1  179.9349098 +1     4     3     2
  H     1.08908267 +1  120.0004534 +1 -178.9386505 +1     5     4     3
  H     1.08836097 +1  119.8383527 +1 -178.6026175 +1     6     5     4
  O     1.21806639 +1  118.2897499 +1  -90.4104801 +1    18     1     2