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

co(co)5 cation_r   3466 Co(CO)5 cation (Geo)

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    #  Species Formula
  3456 Co(CO)4C4O4Co
  3457 Co(CO)4(-) (FUBYOQ) (Geo)C4O4Co
  3458 Co(CO)3NO (Geo)C3NO4Co
  3459 Co(III)O2N4(+) (OXENCO) (Geo)C6H14N4O4Co
  3460 Co(III)N4O2(+) (AETXCO) (Geo)C6H16N4O4Co
  3461 Co(III)N4O2(+) (AETXCO)C6H16N4O4Co
  3462 Co(III)O2N4(+) (OXENCO)C6H16N4O4Co
  3463 Co(III)N6(+) (NIXGEG) (Geo)C6H18N6O4Co
  3464 Co(III)N6(+) (NIXGEG)C6H18N6O4Co
  3465 Co(CO)5 cationC5O5Co
  3466 Co(CO)5 cation (Geo) C5O5Co
  3467 Co(III)N4CO (AMGXCO01) (Geo)C9H19N4O5Co
  3468 Co(III)N4CO (AMGXCO01)C9H19N4O5Co
  3469 Co(II)(H2O)6(2+) (NAZVOZ) (Geo)H12O6Co
  3470 Co(II)(H2O)6H12O6Co
  3471 Co(II)(H2O)6 (Geo)H12O6Co
  3472 Co(II)(Acac)3(-) (IKEYAY) (Geo)C15H21O6Co
  3473 Co(III)N4O2(+) (NITNCO) (Geo)C6H20N6O6Co
  3474 Co(III)N4O2(+) (NITNCO)C6H20N6O6Co
  3475 Co(III)(ox)3C6O12Co
  3476 Co(iii)(ox)3 (Geo)C6O12Co


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 PULAY SHIFT=80 PM7
Co(CO)5 cation
 <Co-C(eq)> <Co-C(ax)> GR=PW91D
 Co     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.82700000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.88900000 +1  179.8689957 +1  180.0000000 +0     1     2     0
  O     1.13658645 +1  179.9626014 +1  -17.8276255 +1     3     1     2
  O     1.14038198 +1  179.9699486 +1   26.7026992 +1     2     1     3
  C     1.55097442 +1   90.5422187 +1 -177.9605787 +1     1     2     3
  O     1.16700423 +1  179.9922161 +1   84.6679337 +1     6     1     3
  C     1.55023146 +1   90.4369679 +1 -119.7049828 +1     1     2     7
  O     1.16710410 +1  179.9851479 +1   -2.2616073 +1     8     1     2
  C     1.54962218 +1   90.4348691 +1 -120.2787411 +1     1     2     9
  O     1.16732185 +1  179.9951966 +1    3.2452835 +1    10     1     2