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

co(co)3nor   3458 Co(CO)3NO (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3448 Co(III)N6(3+) (COTENC01) (Geo)C6H24N6Co
  3449 Co(III)N6(3+) (COTENC01)C6H24N6Co
  3450 Co(II)N6(2+) (QICSOK) (Geo)C6H24N6Co
  3451 Co(II)N6(2+) (QICSOK)C6H24N6Co
  3452 Co(III)C3N3 (FEFRUD) (Geo)C9H15N6Co
  3453 Co(III)C3N3 (FEFRUD)C9H15N6Co
  3454 Co(III)N6(2+) (FAMYEX) (Geo)H15N6O2Co
  3455 Co(III)N6(2+) (FAMYEX)H15N6O2Co
  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


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.
  
 ALLVECS SHIFT=80 PULAY PM7
Co(CO)3NO
 <Co-C> <><C-Co-C> <><><> <Co-N> GR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Co     1.80720000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50307578 +1  103.1970090 +1    0.0000000 +0     2     1     0
  C     1.48558545 +1  128.4357240 +1 -105.4908391 +1     2     1     3
  N     1.66861100 +1   87.6875967 +1 -106.8440674 +1     2     1     4
  O     1.18166880 +1  141.4528656 +1 -176.2633072 +1     3     1     2
  O     1.14918244 +1  147.0720979 +1 -158.2666854 +1     1     3     2
  O     1.19747921 +1  124.8586784 +1 -149.9473358 +1     5     1     2
  O     1.18336725 +1  146.6622063 +1  179.3710984 +1     4     1     2