Accuracy

al(iii)cl3n (cmamal01)   2581 Al(III)Cl3N (CMAMAL01)

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    #  Species Formula
  2571 Be(II)Cl3N(-) (FASQUM)H7BeC2NCl3
  2572 B3N3Cl3H3H3B3N3Cl3
  2573 TrichloroacetaldehydeHC2OCl3
  2574 B3O3Cl3B3O3Cl3
  2575 Trichlorofluoromethane (Geo)CFCl3
  2576 FluorotrichloromethaneCFCl3
  2577 1,1',2-Trichloro-1,2,2'-trifluoroethaneC2F3Cl3
  2578 Aluminum trichloride (Geo)AlCl3
  2579 Aluminum trichlorideAlCl3
  2580 Al(III)Cl3N (CMAMAL01) (Geo)C3H9NAlCl3
  2581 Al(III)Cl3N (CMAMAL01) C3H9NAlCl3
  2582 Trimethyamine-Aluminum trichloride (Geo)C3H9NAlCl3
  2583 TrichlorosilylSiCl3
  2584 TrichlorosilaneHSiCl3
  2585 Trichloromethylsilane (Geo)CH3SiCl3
  2586 TrichloromethylsilaneCH3SiCl3
  2587 Phosphorus trichloride (+)PCl3
  2588 Phosphorus trichloride (Geo)PCl3
  2589 Phosphorus trichloridePCl3
  2590 Phosphorus oxychlorideOPCl3
  2591 Phosphorus oxychloride (Geo)OPCl3


ΔHf: -189.1 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
Al(III)Cl3N (CMAMAL01)
 H=-189.1 HR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.05832492 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.05937320 +1  116.4534282 +1    0.0000000 +0     1     2     0
  N     2.07430404 +1  101.3982409 +1 -108.3795781 +1     1     2     3
  C     1.50447082 +1  110.1955572 +1 -179.6745962 +1     4     1     2
  C     1.50465168 +1  109.9988817 +1 -120.0458165 +1     4     1     5
  H     1.10066041 +1  112.0318219 +1  179.8122607 +1     5     4     1
  H     1.10907405 +1  110.8800269 +1  120.5541289 +1     5     4     7
  H     1.10067898 +1  112.0290288 +1 -179.3113617 +1     6     4     1
  H     1.10909013 +1  110.8886346 +1 -120.4755439 +1     6     4     9
  H     1.10921441 +1  110.8567538 +1 -118.9699555 +1     6     4    10
 Cl     2.06043728 +1  116.2302460 +1 -108.2533525 +1     1     2     4
  H     1.10913650 +1  110.8826809 +1  118.9432684 +1     5     4     8
  C     1.50472183 +1  109.9956811 +1 -119.8770713 +1     4     1     6
  H     1.10063911 +1  112.0408886 +1  179.7689232 +1    14     4     1
  H     1.10911387 +1  110.9008057 +1  120.5147012 +1    14     4    15
  H     1.10918435 +1  110.8499354 +1  118.9481340 +1    14     4    16