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

Re(VI)C2O2 (FOHYEG)   7426 Re(VI)C2O2 (FOHYEG)

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    #  Species Formula
  7416 ReH3 (Geo)H3Re
  7417 Re(III)(Cp)2(+) (DAXJIV) (Geo)C10H10Re
  7418 Re(III)(Cp)2(+) (DAXJIV)C10H10Re
  7419 Re(C5H5)(C6H6)C11H11Re
  7420 Re(C5H5)(C6H6) (Geo)C11H11Re
  7421 Re(II)(NH3)6H18N6Re
  7422 Re(II)(NH3)6 (Geo)H18N6Re
  7423 Re(VI)(Me)4O (MOTVIA) (Geo)C4H12ORe
  7424 Re(VI)(Me)4O (MOTVIA)C4H12ORe
  7425 Re(VI)C2O2 (FOHYEG) (Geo)C18H22O2Re
  7426 Re(VI)C2O2 (FOHYEG) C18H22O2Re
  7427 Re(V)N4O2(+) (DXENRD) (Geo)C4H16N4O2Re
  7428 Re(V)N4O2(+) (DXENRD)C4H16N4O2Re
  7429 ReN4(CO)2(+) (CASMAK) (Geo)C10H12N4O2Re
  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


ΔHf: 33.8 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.
  
 UHF PM7
Re(VI)C2O2 (FOHYEG)
 H=33.8 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.70025772 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.70025022 +1  117.3296121 +1    0.0000000 +0     1     2     0
  C     1.94621938 +1  111.6916124 +1 -127.5067280 +1     1     2     3
  C     2.42868198 +1  151.1053991 +1  133.1091786 +1     4     1     2
  C     1.39792181 +1   90.5908876 +1  177.2407106 +1     5     4     1
  C     1.39726282 +1  119.2924949 +1    2.9279828 +1     6     5     4
  C     1.39500239 +1  120.3400382 +1   -2.4901068 +1     7     6     5
  C     2.46547388 +1   62.6026604 +1  176.4906651 +1     5     4     6
  C     1.48958857 +1  120.1670427 +1  178.5139946 +1     6     5     7
  C     1.49157005 +1  117.7132359 +1  179.3419855 +1     8     7     6
  C     1.94573212 +1  109.4739725 +1 -103.6876156 +1     1     2     4
  C     1.40594424 +1  121.3497619 +1   -1.2508647 +1    12     1     2
  C     1.40445118 +1  119.8130757 +1 -177.4377552 +1    12     1    13
  C     1.39606489 +1  120.1799478 +1  176.5994848 +1    13    12     1
  C     1.49246808 +1  122.5579770 +1  177.4331007 +1    13    12    15
  C     1.39439009 +1  120.5289821 +1 -177.3884543 +1    14    12     1
  C     1.49161586 +1  121.7340343 +1  179.7480816 +1    14    12    17
  C     1.39811893 +1  120.3448806 +1   -0.9735372 +1    17    14    12
  C     1.48950458 +1  120.1522106 +1  177.7533632 +1    19    17    14
  H     1.08625880 +1  150.1471133 +1    4.0783163 +1     5     4     9
  H     1.08624714 +1  119.4745548 +1 -179.6280459 +1     7     6     8
  H     1.10181611 +1  126.2827785 +1   77.1856807 +1     9     5     4
  H     1.10253376 +1  122.8641464 +1 -153.2004839 +1     9     5    23
  H     1.09896693 +1   82.1193551 +1 -103.4732659 +1     9     5    24
  H     1.09927456 +1  112.0822897 +1   37.5445601 +1    10     6     5
  H     1.10145787 +1  110.7073257 +1 -119.5767098 +1    10     6    26
  H     1.09882998 +1  112.5129170 +1 -119.8147812 +1    10     6    27
  H     1.10268590 +1  111.7975383 +1  109.4109876 +1    11     8     7
  H     1.10379081 +1  113.2214962 +1  124.4946908 +1    11     8    29
  H     1.10092155 +1  112.0815186 +1  118.0063687 +1    11     8    30
  H     1.08622257 +1  120.0740943 +1 -178.0437721 +1    15    13    12
  H     1.10225656 +1  112.4649919 +1  -57.4425806 +1    16    13    12
  H     1.10197487 +1  114.0190524 +1  121.3832466 +1    16    13    33
  H     1.09905495 +1  112.3110902 +1  119.8095604 +1    16    13    34
  H     1.08617888 +1  120.2687963 +1  179.5466731 +1    17    14    19
  H     1.10077330 +1  112.1375449 +1  171.9245569 +1    18    14    12
  H     1.10365342 +1  113.1924012 +1 -118.1176885 +1    18    14    37
  H     1.10287784 +1  111.7472004 +1 -124.4650419 +1    18    14    38
  H     1.09929496 +1  112.1409145 +1   36.7161700 +1    20    19    17
  H     1.09852862 +1  112.6231451 +1  120.7555550 +1    20    19    40
  H     1.10177037 +1  110.5618859 +1  119.7910572 +1    20    19    41
  C     1.39575802 +1   30.0364231 +1   -2.4775150 +1     5     4    21