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

pd(-(ch2)4-)r   5178 Pd(-CH2-CH2-CH2-CH2-) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5168 Palladium, atomPd
  5169 Pd-H(+) (singlet sigma(+)) (Geo)HPd
  5170 Pd-H (doublet sigma(+)) (Geo)HPd
  5171 Palladium dihydride (Geo)H2Pd
  5172 Methyl palladium cation (Geo)CH3Pd
  5173 Methyl palladium (Geo)CH3Pd
  5174 Methyl palladium hydride (Geo)CH4Pd
  5175 Pd(C2H2) cation (Geo)C2H2Pd
  5176 Dimethyl palladium, cation (Geo)C2H6Pd
  5177 Dimethyl palladium (Geo)C2H6Pd
  5178 Pd(-CH2-CH2-CH2-CH2-) (Geo) C4H8Pd
  5179 Pd(Cp)C3 (ALCPPD10) (Geo)C8H10Pd
  5180 Pd(Cp)C3 (ALCPPD10)C8H10Pd
  5181 Pd(II)C3Cl3(-) (BEHMIK) (Geo)C9H21N2Pd
  5182 Pd(II)(NH3)4H12N4Pd
  5183 Pd(II)(NH3)4 (Geo)H12N4Pd
  5184 Palladium tetracyanide (Geo)C4N4Pd
  5185 Pd(II)(CN)4(2-) (EATCPD) (Geo)C4N4Pd
  5186 Pd(II)(CN)4(2-) (EATCPD)C4N4Pd
  5187 Pd(II)N4(2+) (KUXSIF) (Geo)C8H12N4Pd
  5188 Pd(II)N4(2+) (KUXSIF)C8H12N4Pd


REF: P. E. M. Siegbahn and M. R. A. Blomberg, J. Am. Chem. Soc., 114, 10548 (1992).
  
 PM7
Pd(-CH2-CH2-CH2-CH2-)
 <Pd-C> <> <C-Pd-C> GR=SB92
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.03000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.97228884 +1   85.3000000 +1    0.0000000 +0     1     2     0
  C     1.50415121 +1  114.0804769 +1    0.2879053 +1     2     1     3
  C     1.50560371 +1  115.7461607 +1    0.2286186 +1     3     1     2
  H     1.08374180 +1   95.1204470 +1 -122.2248980 +1     2     1     3
  H     1.08357621 +1   95.3581540 +1  122.8849494 +1     2     1     3
  H     1.08525234 +1   94.0716230 +1 -122.2500914 +1     3     1     2
  H     1.08520023 +1   94.1440529 +1  122.6972977 +1     3     1     2
  H     1.10694789 +1  110.3164819 +1 -122.0968916 +1     4     2     1
  H     1.10690988 +1  110.3128013 +1  120.8389823 +1     4     2     1
  H     1.10680567 +1  110.1814956 +1 -122.1474400 +1     5     3     1
  H     1.10674629 +1  110.1605946 +1  120.9016540 +1     5     3     1