Accuracy

chromium diacetate, dimer   3225 Chromium diacetate, dimer

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    #  Species Formula
  3215 Cr(II)Cl4 (BAHVIP)Cl4Cr
  3216 Cr(II)Cl4 (BAHVIP) (Geo)Cl4Cr
  3217 KCrO4(-)O4KCr
  3218 Chromium, dimerCr2
  3219 Chromium, dimer (Geo)Cr2
  3220 Cr2(Cp)2(NO)3(NH2) (Geo)C10H12N4O3Cr2
  3221 (Cp)2Cr2(NO)4C10H10N4O4Cr2
  3222 (Cp)2Cr2(NO)4 (Geo)C10H10N4O4Cr2
  3223 Tetrakis(mu-(6-methyl-2(1H)-pyridinato) dichromiumC24H24N4O4Cr2
  3224 Dichromate ion (Geo)O7Cr2
  3225 Chromium diacetate, dimer C8H12O8Cr2
  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 manganeseC10H10Mn
  3234 Manganese(III) nitrideNMn
  3235 Manganese(III) nitride (Geo)NMn


ΔHf: -476.5 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.
  
 UHF MS=3 RELSCF=50 PM7
Chromium diacetate, dimer
 H=-476.46 HR=NIST
 Cr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cr     2.93408752 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.27805574 +1   36.5555267 +1    0.0000000 +0     1     2     0
  C     1.26920407 +1   65.0072890 +1 -170.5370319 +1     3     1     2
  O     3.19018908 +1   37.9738281 +1    7.3917279 +1     2     1     3
  C     1.49629700 +1  117.9365050 +1 -178.2207582 +1     4     3     1
  O     1.99947458 +1   79.7181908 +1  179.8558443 +1     1     2     5
  C     1.26214509 +1  127.9787566 +1    6.0255978 +1     7     1     2
  O     1.98891403 +1   79.5959487 +1 -178.3961307 +1     2     1     3
  C     1.49656517 +1  118.3768964 +1  177.9916212 +1     8     7     1
  O     2.00817035 +1   77.8442605 +1  -92.0139071 +1     1     2     5
  C     1.25998561 +1  129.5743281 +1   -9.7559296 +1    11     1     2
  O     1.97429108 +1   81.2877196 +1  107.1135772 +1     2     1     3
  C     1.49631078 +1  118.5509608 +1 -173.9806535 +1    12    11     1
  O     2.00027742 +1   79.6250693 +1   88.1039855 +1     1     2     5
  C     1.26206491 +1  127.9659705 +1   -7.6234540 +1    15     1     2
  O     1.98745027 +1   79.6497057 +1  -74.4713581 +1     2     1     3
  C     1.49651802 +1  118.3835368 +1 -175.4760621 +1    16    15     1
  H     1.10192408 +1  110.2974996 +1 -106.5099643 +1     6     4     3
  H     1.10092875 +1  110.9778697 +1  134.8139103 +1     6     4     3
  H     1.10143070 +1  111.3844464 +1   13.3934982 +1     6     4     3
  H     1.10145692 +1  111.2078900 +1  156.5720290 +1    10     8     7
  H     1.10098465 +1  111.1253324 +1   35.0608992 +1    10     8     7
  H     1.10138963 +1  110.3092334 +1  -84.0378547 +1    10     8     7
  H     1.10150498 +1  111.4053546 +1 -172.7900111 +1    14    12    11
  H     1.10135767 +1  110.4823377 +1   66.8794522 +1    14    12    11
  H     1.10137197 +1  110.7854457 +1  -51.7089069 +1    14    12    11
  H     1.10139595 +1  111.2850626 +1 -160.8389312 +1    18    16    15
  H     1.10145389 +1  110.3008080 +1   79.5382767 +1    18    16    15
  H     1.10101580 +1  111.0519707 +1  -39.3693109 +1    18    16    15