Accuracy

sicl4n2 (jepcow)   2624 SiCl4N2 (JEPCOW)

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    #  Species Formula
  2614 Al(III)Cl4(-) (CALZUK) (Geo)AlCl4
  2615 Al(III)Cl4(-) (CALZUK)AlCl4
  2616 LiAlCl4LiAlCl4
  2617 Al(III)CCl3 (MALCLD) (Geo)C2H6Al2Cl4
  2618 Al(III)CCl3 (MALCLD)C2H6Al2Cl4
  2619 Al(III)Cl2N2 (MADALC10) (Geo)C4H12N2Al2Cl4
  2620 Al(III)Cl2N2 (MADALC10)C4H12N2Al2Cl4
  2621 Silicon tetrachloride (Geo)SiCl4
  2622 Silicon tetrachlorideSiCl4
  2623 SiCl4N2 (JEPCOW) (Geo)C10H10N2SiCl4
  2624 SiCl4N2 (JEPCOW) C10H10N2SiCl4
  2625 Si2Cl6H2N (GILQEX) (Geo)CH5NSi2Cl4
  2626 Si2Cl6H2N (GILQEX)CH5NSi2Cl4
  2627 Phosphorus tetrachloridePCl4
  2628 Sulfur tetrachlorideSCl4
  2629 SOCl4OSCl4
  2630 PentachloroethaneHC2Cl5
  2631 PentachlorobenzeneHC6Cl5
  2632 PentachlorophenolHC6OCl5
  2633 Silicon pentachloride, anionSiCl5
  2634 Phosphorus pentachloride (Geo)PCl5


ΔHf: -93.4 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.
  
 PM7
SiCl4N2 (JEPCOW)
 H=-93.4 HR=PW91D
 Si     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.15310256 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.97387890 +1   90.0295572 +1    0.0000000 +0     1     2     0
  C     1.36362027 +1  120.8542488 +1   45.2179710 +1     3     1     2
  C     1.39702851 +1  121.8913655 +1  179.9654054 +1     4     3     1
  C     1.39116748 +1  119.6827142 +1   -0.0406296 +1     5     4     3
  C     1.39111635 +1  118.5476127 +1    0.0175406 +1     6     5     4
  C     1.36363214 +1  120.8389173 +1  179.9262770 +1     3     1     4
 Cl     2.15340201 +1   90.0093203 +1 -179.9883135 +1     1     3     2
 Cl     2.15302591 +1   89.3757743 +1  -89.9759772 +1     1     2     3
 Cl     2.15334116 +1   90.6388978 +1  179.9845275 +1     1     2    10
  N     1.97385495 +1   89.9958129 +1   90.0222429 +1     1     2    11
  C     1.36366310 +1  120.8562359 +1  134.6572708 +1    12     1     2
  C     1.36366459 +1  120.8576515 +1  179.9139823 +1    12     1    13
  C     1.39705358 +1  121.8888042 +1  179.9092600 +1    13    12     1
  C     1.39711441 +1  121.8940912 +1 -179.9236131 +1    14    12     1
  C     1.39115865 +1  119.6911906 +1   -0.0048401 +1    16    14    12
  H     1.10870795 +1  119.4885660 +1 -179.9891578 +1     4     3     5
  H     1.08986533 +1  119.4171178 +1 -179.9693765 +1     5     4     6
  H     1.09084917 +1  120.7247972 +1 -179.9915186 +1     6     5     7
  H     1.08991832 +1  120.8976015 +1 -179.9732382 +1     7     6     5
  H     1.10866060 +1  119.5018026 +1    0.0773049 +1     8     3     1
  H     1.10875541 +1  119.4924288 +1 -179.9914705 +1    13    12    15
  H     1.10874495 +1  119.4913715 +1  179.9945155 +1    14    12    16
  H     1.08986015 +1  119.4169323 +1 -179.9895883 +1    15    13    12
  H     1.08985658 +1  119.4172467 +1  179.9720383 +1    16    14    17
  H     1.09085028 +1  120.7294480 +1  179.9792009 +1    17    16    14