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

Rh(III)N4Cl2(plus) (DEYMUP)   5147 Rh(III)N4Cl2(+) (DEYMUP)

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    #  Species Formula
  5137 Rh(III)N3S3(3+) (SCRHCL) (Geo)C3H15N9S3Rh
  5138 Rh(III)N3S3(3+) (SCRHCL)C3H15N9S3Rh
  5139 Rhodium(i) chloride (Geo)ClRh
  5140 Rhodium(i) chlorideClRh
  5141 Rh(I)C8Cl (DBURHC10) (Geo)C8H12ClRh
  5142 Rh(I)C8Cl (DBURHC10)C8H12ClRh
  5143 Methyl rhodium(III) chloride hydroxide (Geo)CH4OClRh
  5144 RhC2NCl (CAWZUV) (Geo)C5H4N2O2ClRh
  5145 RhC2NCl (CAWZUV)C5H4N2O2ClRh
  5146 Rh(III)N4Cl2(+) (DEYMUP) (Geo)C4H16N4Cl2Rh
  5147 Rh(III)N4Cl2(+) (DEYMUP) C4H16N4Cl2Rh
  5148 Rh(I)C2Cl2(-) (GABKOJ) (Geo)C2O2Cl2Rh
  5149 Rh(III)N4Cl2(-) (CDMGRH10) (Geo)C8H14N4O4Cl2Rh
  5150 Rh(III)OS2Cl3 (DMSRHC10) (Geo)C6H18O3S3Cl3Rh
  5151 Rhodium(V) tetrachloride, cation (Geo)Cl4Rh
  5152 Rh(III)O2Cl4(-) (TMAARH) (Geo)O2Cl4Rh
  5153 Rhodium(I) bromide (Geo)BrRh
  5154 Rhodium(I) bromideBrRh
  5155 Rhodium(V) oxide dibromide, cation (Geo)OBr2Rh
  5156 Rhodium(V) oxide dibromide, cationOBr2Rh
  5157 Rhodium(V) tetrabromide, cation (Geo)Br4Rh


ΔHf: 63.2 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=1 PM7
Rh(III)N4Cl2(+) (DEYMUP)
 H=63.2 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.08616543 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.08656265 +1   88.9345361 +1    0.0000000 +0     1     2     0
 Cl     2.06597016 +1   89.9899229 +1  -89.9269208 +1     1     2     3
 Cl     2.06684704 +1   89.9864749 +1 -179.9920088 +1     1     2     4
  N     2.08652646 +1   90.0436091 +1 -179.9992620 +1     1     5     2
  N     2.08624081 +1   91.0351421 +1 -179.9125909 +1     1     2     3
  C     1.49344342 +1  101.1297267 +1   15.6428049 +1     2     1     3
  C     1.53728223 +1  108.7241619 +1  -44.6220947 +1     8     2     1
  C     1.49350112 +1  101.0818162 +1  164.2624699 +1     7     1     2
  C     1.53717982 +1  108.7240211 +1   44.6825645 +1    10     7     1
  H     1.02475648 +1  113.4161287 +1  118.7238355 +1     2     1     8
  H     1.02876690 +1  111.5026467 +1  122.7565264 +1     2     1    12
  H     1.02867397 +1  111.6862075 +1  102.4913787 +1     6     1     7
  H     1.02471107 +1  113.4256383 +1  122.9417367 +1     6     1    14
  H     1.02869563 +1  111.6552618 +1 -102.4186279 +1     3     1     2
  H     1.02466610 +1  113.4390846 +1 -122.9391391 +1     3     1    16
  H     1.02477764 +1  113.4488670 +1 -118.6675237 +1     7     1    10
  H     1.02871203 +1  111.5571427 +1 -122.8341671 +1     7     1    18
  H     1.12197136 +1  108.7603064 +1  121.0202592 +1     8     2     9
  H     1.11573183 +1  111.9134975 +1  117.1367380 +1     8     2    20
  H     1.11576093 +1  110.1736673 +1 -172.0098404 +1     9     8     2
  H     1.12199683 +1  111.1082725 +1  117.4455227 +1     9     8    22
  H     1.12194563 +1  108.7615799 +1 -121.0456645 +1    10     7    11
  H     1.11572101 +1  111.9007915 +1 -117.1008286 +1    10     7    24
  H     1.11574453 +1  110.1763229 +1  171.9713004 +1    11    10     7
  H     1.12201060 +1  111.1103389 +1 -117.4569452 +1    11    10    26