Accuracy

co(co)5 cation   3464 Co(CO)5 cation

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    #  Species Formula
  3454 Co(III)N6(2+) (FAMYEX)H15N6O2Co
  3455 Co(CO)4C4O4Co
  3456 Co(CO)4(-) (FUBYOQ) (Geo)C4O4Co
  3457 Co(CO)3NO (Geo)C3NO4Co
  3458 Co(III)O2N4(+) (OXENCO) (Geo)C6H14N4O4Co
  3459 Co(III)N4O2(+) (AETXCO) (Geo)C6H16N4O4Co
  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 cation C5O5Co
  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


ΔHf: 4.1 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=1 PM7
Co(CO)5 cation
 H=4.1 HR=PW91D
 Co     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.64092512 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.64094881 +1  179.9103035 +1  180.0000000 +0     1     2     0
  O     1.15394247 +1  179.9814614 +1  -17.8288674 +1     3     1     2
  O     1.15395056 +1  179.9877281 +1   26.2469406 +1     2     1     3
  C     1.58754352 +1   90.0461957 +1 -151.0936022 +1     1     2     5
  O     1.16167908 +1  179.9253381 +1   84.7074927 +1     6     1     3
  C     1.58800548 +1   89.9753654 +1 -119.6376944 +1     1     2     7
  O     1.16177238 +1  179.9942693 +1   -2.2751438 +1     8     1     2
  C     1.58646499 +1   89.9699028 +1 -120.2436784 +1     1     2     9
  O     1.16195489 +1  179.9940316 +1    3.2481775 +1    10     1     2