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

Pd(II)Cl2C4 (CYOCPD02)   5236 Pd(II)Cl2C4 (CYOCPD02)

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    #  Species Formula
  5226 Pd(II)S2N2 (BEWKAP)C10H20N4S4Pd
  5227 Pd(II)S4 (DTHBPD10) (Geo)C4H8N6S4Pd
  5228 Pd(II)S4 (DTHBPD10)C4H8N6S4Pd
  5229 Pd(II)S4 (FECTUC) (Geo)C14H24N2O4S4Pd
  5230 Pd-Cl (doublet sigma(+)) (Geo)ClPd
  5231 Palladium chloride hydride (Geo)HClPd
  5232 Methyl palladium chlorideCH3ClPd
  5233 Methyl palladium chloride (Geo)CH3ClPd
  5234 Palladium(II) dichlorideCl2Pd
  5235 Pd(II)Cl2C4 (CYOCPD02) (Geo)C8H12Cl2Pd
  5236 Pd(II)Cl2C4 (CYOCPD02) C8H12Cl2Pd
  5237 Pd(II)N2Cl2 (FEQCOT) (Geo)C4H6N2Cl2Pd
  5238 Pd(II)N2Cl2 (FEQCOT)C4H6N2Cl2Pd
  5239 PdCl2(MeCN)2C4H6N2Cl2Pd
  5240 PdCl2(MeCN)2 (Geo)C4H6N2Cl2Pd
  5241 Pd(II)N2Cl2 (AMBUPD) (Geo)C4H12N2Cl2Pd
  5242 Pd(II)N2Cl2 (AMBUPD)C4H12N2Cl2Pd
  5243 Pd(II)N2Cl2 (COGYEC) (Geo)C4H12N2Cl2Pd
  5244 Pd(II)Cl2N2 (BUQRUA) (Geo)C16H24N4Cl2Pd
  5245 Pd(II)C2Cl2 (BATTIZ) (Geo)C11H10N2O2Cl2Pd
  5246 Pd(II)C2Cl2 (BATTIZ)C11H10N2O2Cl2Pd


ΔHf: -18.9 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.
  
 UHF PM7
Pd(II)Cl2C4 (CYOCPD02)
 H=-18.9 HR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.14934733 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.15012926 +1   92.0984488 +1    0.0000000 +0     1     2     0
  C     2.20527235 +1  152.6532020 +1 -106.9808255 +1     1     2     3
  C     1.37902469 +1   70.5932718 +1 -165.4138909 +1     4     1     2
  C     1.50545418 +1  123.7543504 +1  115.9763189 +1     5     4     1
  C     1.54553287 +1  110.5548305 +1  -91.3568218 +1     6     5     4
  C     1.50352811 +1  111.0149403 +1   18.1406818 +1     7     6     5
  C     1.37922424 +1  123.6635629 +1   56.7526482 +1     8     7     6
  C     1.50591897 +1  123.7854649 +1    5.3103626 +1     9     8     7
  C     1.50346956 +1  117.7571036 +1  118.5527687 +1     4     1     5
  H     1.09962046 +1   92.9533816 +1  120.1663315 +1     4     1    11
  H     1.10430894 +1  120.2855778 +1  165.7263125 +1     5     4     6
  H     1.10902616 +1  110.2034115 +1 -121.6331308 +1     6     5     7
  H     1.10891601 +1  110.3575852 +1 -115.9197047 +1     6     5    14
  H     1.11031302 +1  109.3897719 +1 -121.1445121 +1     7     6     8
  H     1.10934641 +1  110.6184695 +1 -116.1403234 +1     7     6    16
  H     1.09951020 +1  114.8378842 +1  167.8076004 +1     8     7     9
  H     1.10439337 +1  120.2650389 +1  165.2618168 +1     9     8    10
  H     1.10897851 +1  110.2106850 +1  146.9577091 +1    10     9     8
  H     1.10893024 +1  110.2937394 +1 -115.9223336 +1    10     9    20
  H     1.10917522 +1  110.3178937 +1 -149.9587409 +1    11     4     1
  H     1.11030380 +1  109.6574452 +1 -116.1168373 +1    11     4    22