Accuracy

Rh(III)N3S3(3plus) (SCRHCL)   5136 Rh(III)N3S3(3+) (SCRHCL)

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    #  Species Formula
  5126 Rh(II)(H2O)6 (Geo)H12O6Rh
  5127 Rh(III)O6(3-) (CAZCIP) (Geo)C6O12Rh
  5128 Rhodium(I) fluoride (Geo)FRh
  5129 Rhodium(I) fluorideFRh
  5130 Rh(III)P3C3 (KIJSEB) (Geo)C12H36P3Rh
  5131 Rh(III)P3C3 (TOXBEN) (Geo)C14H36P3Rh
  5132 Rhodium sulfideSRh
  5133 Rhodium sulfide (Geo)SRh
  5134 Rh(III)C3N2S (KIJSAX)C13H33N2SRh
  5135 Rh(III)N3S3(3+) (SCRHCL) (Geo)C3H15N9S3Rh
  5136 Rh(III)N3S3(3+) (SCRHCL) C3H15N9S3Rh
  5137 Rhodium(i) chloride (Geo)ClRh
  5138 Rhodium(i) chlorideClRh
  5139 Rh(I)C8Cl (DBURHC10) (Geo)C8H12ClRh
  5140 Rh(I)C8Cl (DBURHC10)C8H12ClRh
  5141 Methyl rhodium(III) chloride hydroxide (Geo)CH4OClRh
  5142 RhC2NCl (CAWZUV) (Geo)C5H4N2O2ClRh
  5143 RhC2NCl (CAWZUV)C5H4N2O2ClRh
  5144 Rh(III)N4Cl2(+) (DEYMUP) (Geo)C4H16N4Cl2Rh
  5145 Rh(III)N4Cl2(+) (DEYMUP)C4H16N4Cl2Rh
  5146 Rh(I)C2Cl2(-) (GABKOJ) (Geo)C2O2Cl2Rh


ΔHf: 730.9 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=3 UHF PM7
Rh(III)N3S3(3+) (SCRHCL)
 H=730.9 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.19113535 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.19134055 +1   93.0496257 +1    0.0000000 +0     1     2     0
  S     2.19166483 +1   93.1126717 +1  -93.1040819 +1     1     2     3
  N     2.46092725 +1   91.7741747 +1  -79.8006786 +1     1     2     4
  N     2.46445221 +1   95.9919816 +1  176.4124691 +1     1     5     2
  N     2.45843960 +1   79.8673492 +1  -95.3747860 +1     1     2     5
  N     1.42015055 +1  113.5667061 +1    9.6021783 +1     7     1     2
  N     2.32334412 +1  145.6364559 +1  -19.9333433 +1     8     7     1
  N     2.68827515 +1  132.0526702 +1  168.9156295 +1     3     1     2
  N     1.42008573 +1  113.4340520 +1 -176.4385525 +1     6     1     5
  N     1.41999559 +1  113.5774235 +1  103.4565724 +1     5     1     2
  N     2.32377387 +1  145.5985093 +1  -19.9947202 +1    12     5     1
  C     1.33846995 +1   31.1390277 +1   11.4622689 +1     9     8     7
  C     1.33830137 +1   36.1280973 +1    3.8960643 +1    10     3     1
  C     1.33846765 +1   31.1122751 +1   10.6000263 +1    13    12     5
  H     1.03461085 +1  115.5222334 +1 -127.8379584 +1     5     1    12
  H     1.03629629 +1  102.6223008 +1 -116.8799340 +1     5     1    17
  H     1.03483432 +1  115.7383942 +1 -127.9699464 +1     6     1    11
  H     1.03625989 +1  102.5556176 +1 -116.8795425 +1     6     1    19
  H     1.03653856 +1  103.1629246 +1  115.5655208 +1     7     1     8
  H     1.03421323 +1  115.0639313 +1  116.9626488 +1     7     1    21
  H     1.03490398 +1  117.4508118 +1 -152.2864726 +1     8     7     9
  H     1.02363119 +1  153.4898861 +1   13.4903122 +1     9     8    14
  H     1.02293377 +1   92.2347033 +1  170.1552381 +1     9     8    24
  H     1.02275451 +1  159.5021781 +1    3.2278748 +1    10     3    15
  H     1.02395314 +1   86.6149492 +1  179.3606934 +1    10     3    26
  H     1.03503707 +1  117.4808390 +1 -173.0763072 +1    11     6     1
  H     1.03499480 +1  117.5514116 +1 -153.0763991 +1    12     5    13
  H     1.02266219 +1   92.3075953 +1 -176.2048347 +1    13    12    16
  H     1.02371933 +1  153.4831411 +1 -172.4343328 +1    13    12    30