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

hafnium, dimer   7269 Hafnium, dimer

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    #  Species Formula
  7259 Hafnium(IV) tetrabromide (Geo)Br4Hf
  7260 Hafnium(IV) hexabromideBr6Hf
  7261 Hafnium(IV) hexabromide (Geo)Br6Hf
  7262 Hafnium(I) iodideIHf
  7263 Hafnium(I) iodide (Geo)IHf
  7264 Trimethyl hafnium iodide (Geo)C3H9IHf
  7265 Trimethyl hafnium iodideC3H9IHf
  7266 Hafnium(IV) oxide diiodideOI2Hf
  7267 Hafnium(IV) hexaiodide, dianionI6Hf
  7268 Hafnium(IV) hexaiodide, dianion (Geo)I6Hf
  7269 Hafnium, dimer Hf2
  7270 Tantalum, cationTa
  7271 Tantalum, atomTa
  7272 Tantalum, anionTa
  7273 TaH3H3Ta
  7274 TaH3 (Geo)H3Ta
  7275 Pentamethyl tantalum(V)C5H15Ta
  7276 Pentamethyl tantalum(V) (Geo)C5H15Ta
  7277 Ta(V)(Me)5 (DOSCIX) (Geo)C5H15Ta
  7278 Ta(V)(Me)5 (DOSCIX)C5H15Ta
  7279 Tantalum, pentakis(dimethylamino)- (Geo)C10H30N5Ta


ΔHf: 251.4 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.
  
 GEO-OK FIELD=(0,0.01,0) PM7
Hafnium, dimer
 H=251.4 HR=PW91D
 Hf     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Hf     2.71141476 +1    0.0000000 +0    0.0000000 +0     1     0     0