Accuracy
 tii 
 
  5899 TiI
  
   
 (Previous)    
 
 (Back)     
   
 (Next)         
Geometry predicted using PM7
 ΔHf:   65.5 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.
  
 OPEN(1,5) PM7
TiI
 H=65.5 HR=NIST
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     2.61355530 +1    0.0000000 +0    0.0000000 +0     1     0     0