Accuracy

al(iii)br2n2 (brmaal)   4384 Al(III)Br2N2 (BRMAAL)

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    #  Species Formula
  4374 Tribromomethylgermane (Geo)CH3GeBr3
  4375 TribromovinylgermaneC2H3GeBr3
  4376 Arsenic tribromideAsBr3
  4377 Arsenic tribromide (Geo)AsBr3
  4378 As(III)CBr2 (FAFWAK) (Geo)C6H4AsBr3
  4379 As(III)CBr2 (FAFWAK)C6H4AsBr3
  4380 Carbon tetrabromide (Geo)CBr4
  4381 Tetrabromoethylene (Geo)C2Br4
  4382 Magnesium dibromide, dimerMg2Br4
  4383 Al(III)Br2N2 (BRMAAL) (Geo)C4H12N2Al2Br4
  4384 Al(III)Br2N2 (BRMAAL) C4H12N2Al2Br4
  4385 Silicon tetrabromide (Geo)SiBr4
  4386 Silicon tetrabromideSiBr4
  4387 Titanium tetrabromideTiBr4
  4388 vanadium(V) tetrabromide (Geo)VBr4
  4389 vanadium(V) tetrabromideVBr4
  4390 Vanadium(IV) bromideVBr4
  4391 Vanadium(IV) bromide (Geo)VBr4
  4392 V(V)Br4O(-) (BEVXIJ) (Geo)OVBr4
  4393 V(V)Br4O(-) (BEVXIJ)OVBr4
  4394 V2Br4V2Br4


ΔHf: -225.7 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.
  
 PULAY PM7
Al(III)Br2N2 (BRMAAL)
 H=-225.7 HR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Al     2.99892246 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.16412784 +1  123.8033228 +1    0.0000000 +0     1     2     0
  N     2.00466790 +1   41.6800059 +1   89.5380161 +1     1     2     3
  C     1.49956277 +1   -1.1900084 +1   -2.2558489 +1     0     0     0
  N     1.49931899 +1    0.0145552 +1    1.3324686 +1     0     0     0
  C     1.49014546 +1    1.2515265 +1   -2.2047957 +1     0     0     0
  C     1.49170800 +1    1.2555520 +1    2.2037099 +1     0     0     0
  C     1.49770083 +1   -1.1863049 +1    2.2551461 +1     0     0     0
 Br     4.15130576 +1   -1.8293057 +1   -0.0002156 +1     0     0     0
 Br     4.19720413 +1    1.7996233 +1   -0.0046443 +1     0     0     0
  H     0.60222570 +1   -1.2039526 +1   -2.9015361 +1     0     0     0
  H     1.51668218 +1   -2.1419842 +1   -1.6855614 +1     0     0     0
  H     2.38359201 +1   -1.1841393 +1   -2.9197691 +1     0     0     0
  H     0.59697321 +1    1.2801535 +1   -2.8558614 +1     0     0     0
  H     1.49128246 +1    2.1789995 +1   -1.5946799 +1     0     0     0
  H     2.37794094 +1    1.2845615 +1   -2.8626995 +1     0     0     0
  H     0.59596954 +1    1.2857808 +1    2.8510276 +1     0     0     0
  H     2.37713847 +1    1.2877808 +1    2.8651548 +1     0     0     0
  H     1.49756613 +1    2.1816876 +1    1.5921647 +1     0     0     0
  H     0.59757633 +1   -1.1988528 +1    2.8969897 +1     0     0     0
  H     2.37902555 +1   -1.1813995 +1    2.9224153 +1     0     0     0
  H     1.51692337 +1   -2.1374892 +1    1.6838016 +1     0     0     0
 Br    -1.16749681 +1   -1.8202177 +1    0.0007935 +1     0     0     0