Accuracy

co(ii)(h2o)6r   3470 Co(II)(H2O)6 (Geo)

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    #  Species Formula
  3460 Co(III)N4O2(+) (AETXCO)C6H16N4O4Co
  3461 Co(III)O2N4(+) (OXENCO)C6H16N4O4Co
  3462 Co(III)N6(+) (NIXGEG) (Geo)C6H18N6O4Co
  3463 Co(III)N6(+) (NIXGEG)C6H18N6O4Co
  3464 Co(CO)5 cationC5O5Co
  3465 Co(CO)5 cation (Geo)C5O5Co
  3466 Co(III)N4CO (AMGXCO01) (Geo)C9H19N4O5Co
  3467 Co(III)N4CO (AMGXCO01)C9H19N4O5Co
  3468 Co(II)(H2O)6(2+) (NAZVOZ) (Geo)H12O6Co
  3469 Co(II)(H2O)6H12O6Co
  3470 Co(II)(H2O)6 (Geo) H12O6Co
  3471 Co(II)(Acac)3(-) (IKEYAY) (Geo)C15H21O6Co
  3472 Co(III)N4O2(+) (NITNCO) (Geo)C6H20N6O6Co
  3473 Co(III)N4O2(+) (NITNCO)C6H20N6O6Co
  3474 Co(III)(ox)3C6O12Co
  3475 Co(iii)(ox)3 (Geo)C6O12Co
  3476 Cobalt(I) fluoride (Geo)FCo
  3477 Cobalt(III) oxide fluorideOFCo
  3478 CoF2F2Co
  3479 Cobalt trifluorideF3Co
  3480 Co(CO)3Si (FUZMAO) (Geo)C4O4F3SiCo


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=2 UHF QUARTET PM7
Co(II)(H2O)6
 <Co-O> <Co-O'> GR=PW91D
 Co     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.11920000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.95550000 +1   91.2034537 +1    0.0000000 +0     1     2     0
  O     2.11040206 +1   72.6631504 +1  135.2784186 +1     1     2     3
  O     2.08079920 +1   75.7497455 +1   74.8090806 +1     1     2     4
  O     2.26485472 +1  113.9258840 +1   72.8444713 +1     1     2     5
  O     2.10763052 +1   70.0979060 +1 -162.3996901 +1     1     6     2
  H     0.98862145 +1  107.1005406 +1  -33.2741131 +1     2     1     3
  H     0.98583768 +1  113.4279069 +1  113.2740380 +1     2     1     8
  H     0.99358912 +1  104.2751700 +1  -99.1014421 +1     7     1     3
  H     0.98250217 +1  118.5142882 +1 -116.7034445 +1     7     1    10
  H     0.98698017 +1  114.2400778 +1   -5.4809501 +1     4     1     2
  H     0.98196838 +1  117.3659424 +1 -123.5816422 +1     4     1    12
  H     0.98093274 +1   94.1978475 +1  -71.1444434 +1     6     1     2
  H     0.98138064 +1  153.9608933 +1  136.2737468 +1     6     1    14
  H     1.00949182 +1  109.9464161 +1  137.9370700 +1     3     1     2
  H     1.00455922 +1  105.6847588 +1  109.7935023 +1     3     1    16
  H     0.99270047 +1  113.0895489 +1  -10.6120567 +1     5     1     2
  H     0.99699484 +1  106.4759917 +1 -111.5771592 +1     5     1    18