PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

re(co)5r   7440 Rhenium pentacarbonyl, anion (Geo)

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    #  Species Formula
  7430 ReN4(CO)2(+) (CASMAK)C10H12N4O2Re
  7431 Methyl rhenium(VII) trioxide (Geo)CH3O3Re
  7432 Re(C5H5)(CO)3C8H5O3Re
  7433 Re(C5H5)(CO)3 (Geo)C8H5O3Re
  7434 Re(Cp)(CO)3 (COCPRE) (Geo)C8H5O3Re
  7435 Re(Cp)(CO)3 (COCPRE)C8H5O3Re
  7436 ReC6(CO)3(+) (CIZNUU) (Geo)C12H12O3Re
  7437 ReC6(CO)3(+) (CIZNUU)C12H12O3Re
  7438 Re(VII)O4(-) (AMOGOY) (Geo)O4Re
  7439 Re(VII)O4(-) (AMOGOY)O4Re
  7440 Rhenium pentacarbonyl, anion (Geo) C5O5Re
  7441 Rhenium pentacarbonyl, anionC5O5Re
  7442 Re(V)O5(-) (HEFYAS) (Geo)C12H8O5Re
  7443 Re(V)O5(-) (HEFYAS)C12H8O5Re
  7444 Re(IV)(H2O)6 d3 (Geo)H12O6Re
  7445 Re(II)(H2O)6 d5 (Geo)H12O6Re
  7446 Re(II)(H2O)6 2TgH12O6Re
  7447 Re(II)(H2O)6H12O6Re
  7448 Re(II)(H2O)6 (Geo)H12O6Re
  7449 Re(CO)6(+) (FUZJOZ) (Geo)C6O6Re
  7450 Re(CO)6(+) (FUZJOZ)C6O6Re


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 PM7
Rhenium pentacarbonyl, anion
 <Re-C(eq)> <><> <Re-C(ax)> GR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.97291200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.93539977 +1  179.9480794 +1  180.0000000 +0     1     2     0
  C     1.92531600 +1   90.1948369 +1  145.3952924 +1     1     2     3
  C     1.82497197 +1   90.2418491 +1   88.4343527 +1     1     2     4
  C     1.95200120 +1   89.9796825 +1   88.6514980 +1     1     2     5
  O     1.16648895 +1  178.8486030 +1  112.4505645 +1     3     2     6
  O     1.16736350 +1  134.3992064 +1 -179.0656977 +1     4     2     1
  O     1.17654119 +1  132.9093924 +1 -179.9839179 +1     5     2     1
  O     1.16541639 +1  134.8044835 +1  179.1132400 +1     6     2     1
  O     1.16396530 +1  178.6860851 +1 -142.4248497 +1     2     3     5