Accuracy

trans-pd(cl)2(set2)2   5248 trans-Pd(Cl)2(SEt2)2

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    #  Species Formula
  5238 PdCl2(MeCN)2 (Geo)C4H6N2Cl2Pd
  5239 Pd(II)N2Cl2 (AMBUPD) (Geo)C4H12N2Cl2Pd
  5240 Pd(II)N2Cl2 (AMBUPD)C4H12N2Cl2Pd
  5241 Pd(II)N2Cl2 (COGYEC) (Geo)C4H12N2Cl2Pd
  5242 Pd(II)Cl2N2 (BUQRUA) (Geo)C16H24N4Cl2Pd
  5243 Pd(II)C2Cl2 (BATTIZ) (Geo)C11H10N2O2Cl2Pd
  5244 Pd(II)C2Cl2 (BATTIZ)C11H10N2O2Cl2Pd
  5245 cis-Pd(PH3)2Cl2 (Geo)H6P2Cl2Pd
  5246 trans-Pd(PH3)2Cl2 (Geo)H6P2Cl2Pd
  5247 cis-Pd(PPh3)2Cl2C36H30P2Cl2Pd
  5248 trans-Pd(Cl)2(SEt2)2 C8H20S2Cl2Pd
  5249 trans-Pd(Cl)2(SEt2)2 (Geo)C8H20S2Cl2Pd
  5250 Pd(II)(CO)Cl3(-) (KATPEA) (Geo)COCl3Pd
  5251 Pd(II)(CO)Cl3(-) (KATPEA)COCl3Pd
  5252 Palladium(II) tetrachlorideCl4Pd
  5253 Pd(II)Cl4(2-) (AVUKOR) (Geo)Cl4Pd
  5254 Pd(II)Cl4(2-) (AVUKOR)Cl4Pd
  5255 Palladium(II) tetrachloride (Geo)Cl4Pd
  5256 Pd(IV)N2Cl4 (BOKHAK) (Geo)C10H8N2Cl4Pd
  5257 Pd(IV)N2Cl4 (BOKHAK)C10H8N2Cl4Pd
  5258 Pd(IV)Cl6(2-) (JIZLOT) (Geo)Cl6Pd


ΔHf: -102.5 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
Dipole: 1.7 Debye,     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.
  
 PM7
trans-Pd(Cl)2(SEt2)2
 HR=NIST H=-102.5 D=1.65 DR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.94254403 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.85166164 +1  119.2872757 +1    0.0000000 +0     2     1     0
  C     1.51937219 +1  104.0644559 +1   -6.7319866 +1     3     2     1
  C     1.84717385 +1  142.3366592 +1 -179.9631723 +1     2     1     3
  C     1.51726704 +1  109.3530760 +1   -5.7977729 +1     5     2     1
  S     1.94255750 +1  162.9472478 +1  179.1608434 +1     1     2     3
  C     1.84694853 +1  142.2036485 +1  175.7474935 +1     7     1     4
  C     1.51732819 +1  109.2992266 +1   -9.0147429 +1     8     7     1
  C     1.85133668 +1  119.2383580 +1  178.5998390 +1     7     1     8
  C     1.51927687 +1  103.9510843 +1    7.9958207 +1    10     7     1
  H     1.10175832 +1  110.4071547 +1  120.2810916 +1     3     2     4
  H     1.10053425 +1  111.4100139 +1  118.8682370 +1     3     2    12
  H     1.09810138 +1  112.2537082 +1  -99.7913251 +1     4     3     2
  H     1.12967549 +1  112.3600211 +1  118.8015182 +1     4     3    14
  H     1.09545731 +1  112.1125765 +1  119.4018387 +1     4     3    15
  H     1.10466026 +1  109.4279320 +1  121.5995324 +1     5     2     6
  H     1.10416874 +1  109.6475685 +1  116.7466489 +1     5     2    17
  H     1.10077671 +1  112.4264992 +1  -61.9165162 +1     6     5     2
  H     1.10091292 +1  112.3976982 +1  120.8426864 +1     6     5    19
  H     1.09860640 +1  110.9567453 +1  119.5741471 +1     6     5    20
  H     1.10475234 +1  109.2774763 +1  121.5334678 +1     8     7     9
  H     1.10398730 +1  109.8402700 +1  116.7156081 +1     8     7    22
  H     1.10034389 +1  112.4149179 +1  -63.2700609 +1     9     8     7
  H     1.10142159 +1  112.3966587 +1  120.8824460 +1     9     8    24
  H     1.09869834 +1  110.9485206 +1  119.4648636 +1     9     8    25
  H     1.10196870 +1  110.3402728 +1 -120.1816192 +1    10     7    11
  H     1.10037033 +1  111.5820954 +1 -118.9358949 +1    10     7    27
  H     1.12961895 +1  112.2357845 +1  -21.4414187 +1    11    10     7
  H     1.09853045 +1  112.2721329 +1  118.6263002 +1    11    10    29
  H     1.09520603 +1  112.1693819 +1  121.8758297 +1    11    10    30
 Cl     2.38111144 +1   90.3347987 +1   91.2428284 +1     1     2     5
 Cl     2.37748176 +1   90.6827536 +1  173.1170194 +1     1     2    32