Accuracy

Re(V)O5(-) (HEFYAS)   7442 Re(V)O5(-) (HEFYAS)

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    #  Species Formula
  7432 Re(C5H5)(CO)3 (Geo)C8H5O3Re
  7433 Re(Cp)(CO)3 (COCPRE) (Geo)C8H5O3Re
  7434 Re(Cp)(CO)3 (COCPRE)C8H5O3Re
  7435 ReC6(CO)3(+) (CIZNUU) (Geo)C12H12O3Re
  7436 ReC6(CO)3(+) (CIZNUU)C12H12O3Re
  7437 Re(VII)O4(-) (AMOGOY) (Geo)O4Re
  7438 Re(VII)O4(-) (AMOGOY)O4Re
  7439 Rhenium pentacarbonyl, anion (Geo)C5O5Re
  7440 Rhenium pentacarbonyl, anionC5O5Re
  7441 Re(V)O5(-) (HEFYAS) (Geo)C12H8O5Re
  7442 Re(V)O5(-) (HEFYAS) C12H8O5Re
  7443 Re(IV)(H2O)6 d3 (Geo)H12O6Re
  7444 Re(II)(H2O)6 d5 (Geo)H12O6Re
  7445 Re(II)(H2O)6 2TgH12O6Re
  7446 Re(II)(H2O)6H12O6Re
  7447 Re(II)(H2O)6 (Geo)H12O6Re
  7448 Re(CO)6(+) (FUZJOZ) (Geo)C6O6Re
  7449 Re(CO)6(+) (FUZJOZ)C6O6Re
  7450 Rhenium hexacarbonyl, cation (Geo)C6O6Re
  7451 Rhenium hexacarbonyl, cationC6O6Re
  7452 Rhenium(I) fluoride (Geo)FRe


ΔHf: -149.4 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.
  
 CHARGE=-1 UHF PM7
Re(V)O5(-) (HEFYAS)
 H=-149.4 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.70126302 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.03531406 +1  115.8076168 +1    0.0000000 +0     1     2     0
  O     2.03490177 +1  115.7440163 +1   87.5578430 +1     1     2     3
  C     1.32934653 +1  111.2414561 +1 -101.8666446 +1     3     1     2
  C     1.38261397 +1  122.6025990 +1  169.7875496 +1     5     3     1
  C     1.40536318 +1  118.8519041 +1  179.1606458 +1     6     5     3
  C     1.32932812 +1  111.2324998 +1  101.5076425 +1     4     1     2
  C     1.38251029 +1  122.5835817 +1 -169.7225830 +1     8     4     1
  C     1.40531007 +1  118.8393246 +1 -179.2571946 +1     9     8     4
  O     2.03526578 +1  115.9406483 +1  179.9743323 +1     1     2     4
  O     2.03560344 +1  115.7337691 +1  -87.6492221 +1     1     2    11
  C     1.32931430 +1  111.2584215 +1  101.8086945 +1    11     1     2
  C     1.38546731 +1  120.8638542 +1   -0.0065207 +1     7     6     5
  C     1.32930126 +1  111.2196542 +1 -101.5032435 +1    12     1     2
  C     1.38542875 +1  120.8769270 +1   -0.0347578 +1    10     9     8
  C     1.40536705 +1  120.8740081 +1    0.1184699 +1    14     7     6
  C     1.40545397 +1  120.8686367 +1   -0.0719792 +1    16    10     9
  H     1.08246379 +1  120.0984888 +1 -179.5575872 +1     6     5     7
  H     1.08362971 +1  119.0198888 +1 -179.9160197 +1     7     6    14
  H     1.08244695 +1  120.1225263 +1  179.5869074 +1     9     8    10
  H     1.08361629 +1  119.0067908 +1  179.9371234 +1    10     9    16
  H     1.08363359 +1  120.1134676 +1 -179.9635482 +1    14     7    17
  H     1.08359584 +1  120.1194595 +1  179.9795129 +1    16    10    18
  H     1.08248927 +1  121.0463532 +1 -179.7867165 +1    17    14     7
  H     1.08246204 +1  121.0214401 +1  179.8169691 +1    18    16    10