Accuracy

cu_cat_ch3shr   3664 Cu(+) - CH3SH (Geo)

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    #  Species Formula
  3654 Copper difluorideF2Cu
  3655 Copper(II) difluoride, dihydrate (Geo)H4O2F2Cu
  3656 Copper(II) trifluoride, anionF3Cu
  3657 Copper(II) trifluoride, anion (Geo)F3Cu
  3658 Copper(II) tetrafluoride, dianion (Geo)F4Cu
  3659 Cu(II)F4(H2O)2 (Geo)H4O2F4Cu
  3660 Copper sulfide (Geo)SCu
  3661 Copper hydrogen sulfide (Geo)HSCu
  3662 Copper hydrogen sulfideHSCu
  3663 Cu(+) - H2S (Geo)H2SCu
  3664 Cu(+) - CH3SH (Geo) CH4SCu
  3665 Cu(SH)2H2S2Cu
  3666 Cu(SH)2 (Geo)H2S2Cu
  3667 Copper chlorideClCu
  3668 Copper(I) chlorideClCu
  3669 Copper(I) chloride (Geo)ClCu
  3670 Copper(III) oxide chlorideOClCu
  3671 Copper(III) oxide chloride (Geo)OClCu
  3672 Methyl copper(II) dichloride (Geo)CH3Cl2Cu
  3673 Cu(II)N2Cl2 (AEPYCC10) (Geo)C7H10N2Cl2Cu
  3674 Cu(II)N2Cl2 (AEPYCC10)C7H10N2Cl2Cu


REF: S. Hoyau and G. Ohanessian, (CCSD(T), B3LYP and MP2 calculations) J. Am. Chem. Soc., 119, 2016 (1997).
  
 CHARGE=1 PM7
Cu(+) - CH3SH
 <Cu-S> GR=HO1997
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.24100000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.33356717 +1   99.4062269 +1    0.0000000 +0     2     1     0
  C     1.77920569 +1  102.9952792 +1  105.0357629 +1     2     1     3
  H     1.10062402 +1  116.7654321 +1  -51.8674682 +1     4     2     1
  H     1.10756233 +1  111.3504598 +1   70.8432968 +1     4     2     1
  H     1.10986321 +1  112.3309619 +1 -173.0597287 +1     4     2     1