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

pd(ii)(nh3)4   5182 Pd(II)(NH3)4

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    #  Species Formula
  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)4 H12N4Pd
  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
  5189 Pd(II)N4(2+) (BUXSIW) (Geo)C10H20N4Pd
  5190 Pd(II)(CN)2N2 (JARCEK) (Geo)C12H8N4Pd
  5191 Pd(II)(CN)2N2 (JARCEK)C12H8N4Pd
  5192 Pd(II)(NH3)6H18N6Pd


ΔHf: 333.2 kcal/mol,     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=2 PULAY SHIFT=90 UHF PM7
Pd(II)(NH3)4
 H=333.2 HR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.14804625 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.14857623 +1   89.5797062 +1    0.0000000 +0     1     2     0
  N     2.14756496 +1   90.3683854 +1 -179.4918329 +1     1     2     3
  N     2.14808058 +1   89.9305056 +1 -179.8541422 +1     1     4     2
  H     1.02121111 +1  111.8416533 +1   67.2544746 +1     2     1     3
  H     1.02086702 +1  112.1082569 +1 -120.0431722 +1     2     1     6
  H     1.02158072 +1  111.5738174 +1   92.9005291 +1     5     1     4
  H     1.01981953 +1  113.0897612 +1 -120.1520372 +1     5     1     8
  H     1.01992961 +1  113.1847330 +1   30.9575008 +1     3     1     2
  H     1.01968141 +1  113.3705819 +1  120.1573273 +1     3     1    10
  H     1.02007128 +1  112.8997903 +1  149.9984230 +1     4     1     2
  H     1.01991743 +1  113.0578979 +1 -119.6346715 +1     4     1    12
  H     1.01940986 +1  113.7196069 +1 -119.7483575 +1     2     1     7
  H     1.02173272 +1  111.1860886 +1  119.9657306 +1     3     1    11
  H     1.02158607 +1  111.6573035 +1 -120.2552967 +1     4     1    13
  H     1.02001005 +1  113.0199322 +1 -119.7861213 +1     5     1     9