Accuracy

cuch3r   3613 Cu-CH3 (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3603 Ni(II)Cl3.H2OH2OCl3Ni
  3604 Ni(II)Cl3.H2O (Geo)H2OCl3Ni
  3605 Nickel(II) tetrachloride D4h (Geo)Cl4Ni
  3606 Nickel(II) tetrachloride D4hCl4Ni
  3607 Ni2(Cp)2(CO)2C12H10O2Ni2
  3608 Ni2(Cp)2(CO)2 (Geo)C12H10O2Ni2
  3609 Ni3(Cp)3(CO)3 (Geo)C17H15O2Ni3
  3610 Copper (+)Cu
  3611 Copper, atomCu
  3612 Copper HydrideHCu
  3613 Cu-CH3 (Geo) CH3Cu
  3614 Cu(+) - NH3 (Geo)H3NCu
  3615 Cu(+) - CH2NH (Geo)CH3NCu
  3616 Cu(+) - CH3NH2 (Geo)CH5NCu
  3617 Cu(II)(NH3)4 (Geo)H12N4Cu
  3618 Cu(II)N4(2+) (ABUCUP) (Geo)C8H24N4Cu
  3619 Cu(II)(NH3)6 (Geo)H18N6Cu
  3620 Cu(II)(en)3 (Geo)C6H24N6Cu
  3621 Copper phthalocyanine (Geo)C32H16N8Cu
  3622 Cu-O (Geo)OCu
  3623 Cu(+) - H2O (Geo)H2OCu


REF: C. W. Bauschlicher, S.R. Langhoff, H. Partridge, and L. A. Barnes, J. Chem. Phys., 91, 2399 (1989).
  
 SYMMETRY PULAY PM7
Cu-CH3
 GR=BLPB1989 <Cu-C>
 
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.93600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.07348472 +1  108.7627723 +1    0.0000000 +0     2     1     0
  H     1.07348472 +1  108.7627723 +1  120.0000000 +1     2     1     3
  H     1.07348472 +1  108.7627723 +1 -120.0000000 +1     2     1     3
 
   3  1    4    5
   3  2    4    5