Accuracy

cobalt dichloride, dimer   3507 Cobalt dichloride, dimer

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  3497 Co(II)S2N2 (COTUCL11) (Geo)C2H8N4S2Cl2Co
  3498 Co(II)S2N2 (COTUCL11)C2H8N4S2Cl2Co
  3499 CoCl3Cl3Co
  3500 Co(III)N3Cl3 (AMPRCO) (Geo)C6H17N3Cl3Co
  3501 Co(III)N3Cl3 (AMPRCO)C6H17N3Cl3Co
  3502 Co(III)SN2Cl3 (CATBAA) (Geo)C4H12N2SCl3Co
  3503 Co(III)SN2Cl3 (CATBAA)C4H12N2SCl3Co
  3504 Co(II)Cl4(2-) (DMDPCO) (Geo)Cl4Co
  3505 Co2(CO)8C8O8Co2
  3506 Co2(CO)8 (Geo)C8O8Co2
  3507 Cobalt dichloride, dimer Cl4Co2
  3508 Nickel, cationNi
  3509 Nickel, atomNi
  3510 Ni(II)(NH3)4H12N4Ni
  3511 Ni(II)(NH3)4 (Geo)H12N4Ni
  3512 Ni(II)(CN)4C4N4Ni
  3513 Ni(II)(CN)4 (Geo)C4N4Ni
  3514 Pentacyanonickelate(II) ion (Geo)C5N5Ni
  3515 Pentacyanonickelate(II) ionC5N5Ni
  3516 Ni(II)(NH3)6H18N6Ni
  3517 Ni(II)(NH3)6 (Geo)H18N6Ni


ΔHf: -83.8 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.
  
 SHIFT=10 UHF ALLVECS SEPTET SYMMETRY FIELD=(0.01,0.02,0.03) PM7
Cobalt dichloride, dimer
 H=-83.8 HR=NIST
 
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Co     1.79555094 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.45623444 +1   90.0000000 +0    0.0000000 +0     1     2     0
 Co     1.79555094 +0  180.0000000 +0  180.0000000 +0     1     2     3
 Cl     1.45623444 +0  180.0000000 +0    0.0000000 +0     1     3     2
 Cl     2.13644369 +1  180.0000000 +0    0.0000000 +0     2     1     3
 Cl     2.13644369 +0  180.0000000 +0    0.0000000 +0     4     1     3
 
   2  1    4
   3  1    5
   6  1    7