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

chromium diacetate, dimer   3226 Chromium diacetate, dimer

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    #  Species Formula
  3216 Cr(II)Cl4 (BAHVIP)Cl4Cr
  3217 Cr(II)Cl4 (BAHVIP) (Geo)Cl4Cr
  3218 KCrO4(-)O4KCr
  3219 Chromium, dimerCr2
  3220 Chromium, dimer (Geo)Cr2
  3221 Cr2(Cp)2(NO)3(NH2) (Geo)C10H12N4O3Cr2
  3222 (Cp)2Cr2(NO)4C10H10N4O4Cr2
  3223 (Cp)2Cr2(NO)4 (Geo)C10H10N4O4Cr2
  3224 Tetrakis(mu-(6-methyl-2(1H)-pyridinato) dichromiumC24H24N4O4Cr2
  3225 Dichromate ion (Geo)O7Cr2
  3226 Chromium diacetate, dimer C8H12O8Cr2
  3227 Cr2(CO)10 dianion (Geo)C10O10Cr2
  3228 Cr2(CO)10 dianionC10O10Cr2
  3229 Cr(II)2O10(0) (ACETCR) (Geo)C12H20O12Cr2
  3230 Cr(III)2Cl9 (ZEBRON) (Geo)Cl9Cr2
  3231 Trichromate ion (Geo)O10Cr3
  3232 Manganese, cationMn
  3233 Manganese, atomMn
  3234 Bicyclopentadienyl manganeseC10H10Mn
  3235 Manganese(III) nitrideNMn
  3236 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