Accuracy

Re(IV)Br4N2 (BAWSEY) r   7504 Re(IV)Br4N2 (BAWSEY) (Geo)

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    #  Species Formula
  7494 Re(CO)5Br (FOWTOA) (Geo)C5O5BrRe
  7495 Re(CO)5Br (FOWTOA)C5O5BrRe
  7496 Re(CO)5BrC5O5BrRe
  7497 Re(CO)5Br (Geo)C5O5BrRe
  7498 Re(V)(Cp)2Br2(+) (CPBRRE) (Geo)C10H10Br2Re
  7499 Re(V)(Cp)2Br2(+) (CPBRRE)C10H10Br2Re
  7500 Rhenium(III) tribromide (Geo)Br3Re
  7501 Rhenium(III) tribromideBr3Re
  7502 Re(V)Br3N2O (BAWSAU) (Geo)C10H8N2OBr3Re
  7503 Re(V)Br3N2O (BAWSAU)C10H8N2OBr3Re
  7504 Re(IV)Br4N2 (BAWSEY) (Geo) C10H8N2Br4Re
  7505 Re(IV)Br4N2 (BAWSEY)C10H8N2Br4Re
  7506 Re(V)Br6(-) (COJYAB) (Geo)Br6Re
  7507 Re(V)Br6(-) (COJYAB)Br6Re
  7508 Re(IV)Br6(2-) (AYOMAC) (Geo)Br6Re
  7509 Re(IV)Br6(2-) (AYOMAC)Br6Re
  7510 Rhenium(I) iodide (Geo)IRe
  7511 Rhenium(I) iodideIRe
  7512 Dimethyl rhenium iodideC2H6IRe
  7513 Dimethyl rhenium iodide (Geo)C2H6IRe
  7514 Rhenium(III) oxide iodide (Geo)OIRe


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PM7
Re(IV)Br4N2 (BAWSEY)
 <Re-Br> <><Br-Re-Br> <Re-N> GR=CCDC
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.41737800 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.45865938 +1   92.6331050 +1    0.0000000 +0     1     2     0
  N     2.12290400 +1  171.7685990 +1   51.9265309 +1     1     2     3
  N     2.21998049 +1   96.1766651 +1   72.4110325 +1     1     2     3
  C     1.35322321 +1  124.0057163 +1 -156.3895581 +1     4     1     2
  H     1.10219690 +1  117.5917819 +1    1.7959514 +1     6     4     1
  C     1.39912247 +1  122.1806028 +1  179.7690674 +1     6     4     7
  H     1.09009398 +1  119.9133434 +1  179.2998244 +1     8     6     4
  C     1.39094431 +1  119.1479730 +1 -179.7006849 +1     8     6     9
  H     1.09129942 +1  120.6901504 +1  179.4684481 +1    10     8     6
  C     1.39541147 +1  119.1273853 +1  179.8594829 +1    10     8    11
  H     1.08943693 +1  119.8341383 +1 -179.4068859 +1    12    10     8
  C     1.39686206 +1  119.3497519 +1  179.9504136 +1    12    10    13
  C     1.36883017 +1  114.5473893 +1 -179.4876245 +1     5     1     2
  C     1.39477745 +1  121.2920951 +1 -178.4438754 +1    15     5     1
  H     1.08845154 +1  121.0993883 +1  179.9122913 +1    16    15     5
  C     1.39805486 +1  119.0623201 +1 -179.9994194 +1    16    15    17
  H     1.09171466 +1  119.9305247 +1  179.9201154 +1    18    16    15
  C     1.38814859 +1  119.3732891 +1 -179.9082323 +1    18    16    19
  H     1.09011336 +1  121.1571984 +1  179.9694817 +1    20    18    16
  C     1.40329607 +1  119.1140450 +1 -179.9159718 +1    20    18    21
  H     1.10357149 +1  120.7899882 +1  179.7977754 +1    22    20    18
 Br     2.45903477 +1   95.6256966 +1   71.4803769 +1     1     2     5
 Br     2.40887602 +1   91.5955015 +1   89.3907207 +1     1     2    24