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

Re(V)N4O2(plus) (DXENRD)   7428 Re(V)N4O2(+) (DXENRD)

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    #  Species Formula
  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
  7437 ReC6(CO)3(+) (CIZNUU)C12H12O3Re
  7438 Re(VII)O4(-) (AMOGOY) (Geo)O4Re


ΔHf: 93.3 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)N4O2(+) (DXENRD)
 H=93.3 HR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.71356141 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.24274028 +1   90.6721433 +1    0.0000000 +0     1     2     0
  N     2.24352343 +1   89.5226137 +1   80.1570824 +1     1     2     3
  C     1.50237104 +1  107.0149847 +1 -105.7090860 +1     4     1     2
  C     1.53733456 +1  108.7805929 +1   43.5551618 +1     5     4     1
  O     1.71375002 +1   90.5534114 +1  179.7915988 +1     1     4     2
  N     2.24355758 +1   89.4333326 +1  179.9380233 +1     1     2     3
  N     2.24275570 +1   90.6655421 +1   80.1441243 +1     1     2     8
  C     1.50242334 +1  107.0452143 +1  105.6138440 +1     8     1     2
  C     1.53733651 +1  108.7784135 +1  -43.4654671 +1    10     8     1
  H     1.02701828 +1  113.7042409 +1  -47.2427677 +1     3     1     2
  H     1.03152431 +1  109.5080339 +1 -120.1253928 +1     3     1    12
  H     1.03127226 +1  109.6393840 +1  119.3690552 +1     4     1     5
  H     1.11248163 +1  111.9654629 +1  121.9906612 +1     5     4     6
  H     1.11991502 +1  108.6455927 +1  117.1388008 +1     5     4    15
  H     1.12016007 +1  110.9833422 +1   58.4420254 +1     6     5     4
  H     1.11227653 +1  110.2360573 +1  117.5498165 +1     6     5    17
  H     1.02711551 +1  113.4982278 +1  120.0677314 +1     4     1    14
  H     1.03132881 +1  109.6091271 +1 -119.3606483 +1     8     1    10
  H     1.02706322 +1  113.6784770 +1   47.3986454 +1     9     1     2
  H     1.11251852 +1  111.9631372 +1 -121.9934629 +1    10     8    11
  H     1.11984850 +1  108.6583356 +1 -117.1289172 +1    10     8    22
  H     1.12020901 +1  110.9769080 +1  -58.4354345 +1    11    10     8
  H     1.11230110 +1  110.2435415 +1 -117.5397908 +1    11    10    24
  H     1.02712689 +1  113.5085383 +1 -120.0460300 +1     8     1    20
  H     1.03146975 +1  109.5732896 +1  120.1406926 +1     9     1    21