Accuracy

bicyclopentadienyl manganese   3233 Bicyclopentadienyl manganese

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    #  Species Formula
  3223 Tetrakis(mu-(6-methyl-2(1H)-pyridinato) dichromiumC24H24N4O4Cr2
  3224 Dichromate ion (Geo)O7Cr2
  3225 Chromium diacetate, dimerC8H12O8Cr2
  3226 Cr2(CO)10 dianion (Geo)C10O10Cr2
  3227 Cr2(CO)10 dianionC10O10Cr2
  3228 Cr(II)2O10(0) (ACETCR) (Geo)C12H20O12Cr2
  3229 Cr(III)2Cl9 (ZEBRON) (Geo)Cl9Cr2
  3230 Trichromate ion (Geo)O10Cr3
  3231 Manganese, cationMn
  3232 Manganese, atomMn
  3233 Bicyclopentadienyl manganese C10H10Mn
  3234 Manganese(III) nitrideNMn
  3235 Manganese(III) nitride (Geo)NMn
  3236 Mn(II)(NH3)6H18N6Mn
  3237 Mn(II)(NH3)6 (Geo)H18N6Mn
  3238 Manganese(II) oxideOMn
  3239 Manganese(II) oxide (Geo)OMn
  3240 Mn(CO)C8 (BUTMNC) (Geo)C9H12OMn
  3241 Mn(CO)C8 (BUTMNC)C9H12OMn
  3242 Manganese (IV) dioxide, anionO2Mn
  3243 Manganese (V) trioxideO3Mn


ΔHf: 66.2 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.
  
 UHF PM7
Bicyclopentadienyl manganese
 H=66.18 HR=NIST
 Mn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.20765686 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.45112869 +1   69.6672845 +1    0.0000000 +0     2     1     0
  C     1.44702543 +1   70.7651991 +1  118.9131930 +1     2     1     3
  C     1.45863959 +1  107.9286257 +1   60.6298299 +1     3     2     1
  C     1.45916735 +1  107.6790123 +1   -0.1508804 +1     5     3     2
  C     2.18132128 +1  125.6155703 +1   79.2356715 +1     1     2     3
  C     1.45096965 +1   71.7105581 +1   78.8180581 +1     7     1     2
  C     1.45837859 +1   69.7171288 +1  117.9120575 +1     7     1     8
  C     1.44694137 +1  108.2639442 +1   60.4341287 +1     8     7     1
  C     1.45932196 +1  107.6977942 +1  -61.6701032 +1     9     7     1
  H     1.08318586 +1  128.4343763 +1  121.0219876 +1     2     1     4
  H     1.08253110 +1  126.0183305 +1  174.7768412 +1     3     2     5
  H     1.08313201 +1  125.8854135 +1  124.1984244 +1     4     2     1
  H     1.08216461 +1  126.0109838 +1  174.2286136 +1     5     3     6
  H     1.08247390 +1  125.8605515 +1  174.8188008 +1     6     5     3
  H     1.08262829 +1  128.2878620 +1  120.2877067 +1     7     1     9
  H     1.08316647 +1  125.7457432 +1  176.2038575 +1     8     7    10
  H     1.08224397 +1  126.0225102 +1 -174.3297328 +1     9     7    11
  H     1.08311151 +1  125.9060624 +1  175.9879440 +1    10     8     7
  H     1.08245659 +1  125.8769056 +1 -174.8314330 +1    11     9     7